USER MOD reduce.3.24.130724 H: found=0, std=0, add=1080, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1082 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 113 THR OG1 : rot 77:sc= 2.19 USER MOD Set 1.2: A 146 LYS NZ :NH3+ -179:sc= 1.68 (180deg=0.604) USER MOD Set 2.1: A 128 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Set 2.2: A 131 ASN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Set 3.1: A 104 LYS NZ :NH3+ 165:sc= 0.189 (180deg=0) USER MOD Set 3.2: A 105 SER OG : rot 81:sc= 1.01 USER MOD Set 4.1: A 92 THR OG1 : rot 180:sc= -0.581 USER MOD Set 4.2: A 95 ASN : amide:sc= 0.807 K(o=0.23,f=-1.4) USER MOD Set 5.1: A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 77 TYR OH : rot 97:sc= 0.213 USER MOD Set 5.3: A 79 TYR OH : rot 83:sc= 1.58 USER MOD Set 5.4: A 106 HIS : no HE2:sc= 1.02 K(o=5.5,f=-8.4!) USER MOD Set 5.5: A 107 CYS SG : rot 75:sc= 1.15 USER MOD Set 5.6: A 110 ASN : amide:sc= 1.48 K(o=5.5,f=3.5) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0.977 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot -99:sc= 1.03 USER MOD Single : A 26 LYS NZ :NH3+ 151:sc= -1.09 (180deg=-2.61!) USER MOD Single : A 27 THR OG1 : rot 60:sc= 1.11 USER MOD Single : A 29 SER OG : rot 180:sc= 0.203 USER MOD Single : A 32 HIS : no HD1:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 33 CYS SG : rot 180:sc= 0.105 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 38 CYS SG : rot -0:sc= 0.623 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 165:sc= -0.0749 (180deg=-0.329) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.36) USER MOD Single : A 60 ASN : amide:sc= -0.0696 K(o=-0.07,f=-1.2!) USER MOD Single : A 61 GLN : amide:sc= 0.252 K(o=0.25,f=-2.3) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -83:sc= 1.16 USER MOD Single : A 80 TYR OH : rot -104:sc= 0.265 USER MOD Single : A 83 THR OG1 : rot -140:sc= -0.236 USER MOD Single : A 84 LYS NZ :NH3+ -117:sc= 0.915 (180deg=-0.117) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -37:sc= 0.326 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -1.64 F(o=-2.7!,f=-1.6) USER MOD Single : A 90 LYS NZ :NH3+ -164:sc= -0.0705 (180deg=-0.461) USER MOD Single : A 93 TYR OH : rot 180:sc= 0.234 USER MOD Single : A 97 GLN : amide:sc= -0.367 K(o=-0.37,f=-4.3!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -5:sc= 1.08 USER MOD Single : A 103 MET CE :methyl 143:sc= -2! (180deg=-3.13!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot -37:sc= 0.24 USER MOD Single : A 117 MET CE :methyl -158:sc= -0.181 (180deg=-0.899) USER MOD Single : A 133 SER OG : rot -74:sc= 0.155 USER MOD Single : A 135 MET CE :methyl 154:sc= -0.293 (180deg=-1.11) USER MOD Single : A 143 THR OG1 : rot -52:sc= 0.406 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 TYR OH : rot 180:sc= -0.999 USER MOD Single : A 151 THR OG1 : rot 43:sc= 0.0158 USER MOD ----------------------------------------------------------------- ATOM 155 N ARG A 13 -7.718 2.156 -13.894 1.00 75.33 N ATOM 156 CA ARG A 13 -6.701 1.634 -12.984 1.00 75.01 C ATOM 157 C ARG A 13 -7.168 1.821 -11.568 1.00 64.42 C ATOM 158 O ARG A 13 -7.285 0.865 -10.818 1.00 13.44 O ATOM 159 CB ARG A 13 -5.351 2.356 -13.165 1.00 43.05 C ATOM 160 CG ARG A 13 -4.541 1.934 -14.376 1.00 51.54 C ATOM 161 CD ARG A 13 -3.954 0.539 -14.199 1.00 45.11 C ATOM 162 NE ARG A 13 -3.222 0.110 -15.393 1.00 71.32 N ATOM 163 CZ ARG A 13 -3.006 -1.158 -15.757 1.00 55.11 C ATOM 164 NH1 ARG A 13 -3.427 -2.155 -14.998 1.00 1.05 N ATOM 165 NH2 ARG A 13 -2.349 -1.416 -16.870 1.00 13.25 N ATOM 0 HA ARG A 13 -6.555 0.577 -13.209 1.00 75.01 H new ATOM 0 HB2 ARG A 13 -5.538 3.428 -13.231 1.00 43.05 H new ATOM 0 HB3 ARG A 13 -4.748 2.192 -12.272 1.00 43.05 H new ATOM 0 HG2 ARG A 13 -5.174 1.953 -15.263 1.00 51.54 H new ATOM 0 HG3 ARG A 13 -3.736 2.650 -14.544 1.00 51.54 H new ATOM 0 HD2 ARG A 13 -3.285 0.531 -13.338 1.00 45.11 H new ATOM 0 HD3 ARG A 13 -4.755 -0.170 -13.987 1.00 45.11 H new ATOM 0 HE ARG A 13 -2.845 0.840 -15.998 1.00 71.32 H new ATOM 0 HH11 ARG A 13 -3.921 -1.960 -14.127 1.00 1.05 H new ATOM 0 HH12 ARG A 13 -3.258 -3.120 -15.283 1.00 1.05 H new ATOM 0 HH21 ARG A 13 -2.007 -0.650 -17.450 1.00 13.25 H new ATOM 0 HH22 ARG A 13 -2.182 -2.382 -17.151 1.00 13.25 H new ATOM 179 N ILE A 14 -7.491 3.048 -11.244 1.00 50.25 N ATOM 180 CA ILE A 14 -7.891 3.409 -9.921 1.00 21.44 C ATOM 181 C ILE A 14 -9.397 3.292 -9.755 1.00 20.43 C ATOM 182 O ILE A 14 -10.168 3.640 -10.642 1.00 22.41 O ATOM 183 CB ILE A 14 -7.437 4.852 -9.596 1.00 24.53 C ATOM 184 CG1 ILE A 14 -5.918 4.980 -9.802 1.00 12.02 C ATOM 185 CG2 ILE A 14 -7.817 5.231 -8.167 1.00 53.24 C ATOM 186 CD1 ILE A 14 -5.373 6.364 -9.563 1.00 70.25 C ATOM 0 H ILE A 14 -7.481 3.827 -11.903 1.00 50.25 H new ATOM 0 HA ILE A 14 -7.413 2.719 -9.226 1.00 21.44 H new ATOM 0 HB ILE A 14 -7.946 5.539 -10.273 1.00 24.53 H new ATOM 0 HG12 ILE A 14 -5.413 4.283 -9.133 1.00 12.02 H new ATOM 0 HG13 ILE A 14 -5.675 4.678 -10.821 1.00 12.02 H new ATOM 0 HG21 ILE A 14 -7.488 6.249 -7.961 1.00 53.24 H new ATOM 0 HG22 ILE A 14 -8.899 5.168 -8.049 1.00 53.24 H new ATOM 0 HG23 ILE A 14 -7.336 4.546 -7.469 1.00 53.24 H new ATOM 0 HD11 ILE A 14 -4.296 6.365 -9.730 1.00 70.25 H new ATOM 0 HD12 ILE A 14 -5.847 7.065 -10.250 1.00 70.25 H new ATOM 0 HD13 ILE A 14 -5.581 6.665 -8.536 1.00 70.25 H new ATOM 198 N THR A 15 -9.790 2.746 -8.649 1.00 30.30 N ATOM 199 CA THR A 15 -11.158 2.665 -8.255 1.00 53.34 C ATOM 200 C THR A 15 -11.241 3.145 -6.816 1.00 13.22 C ATOM 201 O THR A 15 -10.414 2.763 -5.992 1.00 62.10 O ATOM 202 CB THR A 15 -11.665 1.225 -8.386 1.00 1.22 C ATOM 203 OG1 THR A 15 -11.468 0.806 -9.748 1.00 23.23 O ATOM 204 CG2 THR A 15 -13.144 1.145 -8.045 1.00 64.52 C ATOM 0 H THR A 15 -9.147 2.332 -7.975 1.00 30.30 H new ATOM 0 HA THR A 15 -11.786 3.285 -8.895 1.00 53.34 H new ATOM 0 HB THR A 15 -11.119 0.581 -7.697 1.00 1.22 H new ATOM 0 HG1 THR A 15 -11.784 -0.115 -9.856 1.00 23.23 H new ATOM 0 HG21 THR A 15 -13.485 0.114 -8.144 1.00 64.52 H new ATOM 0 HG22 THR A 15 -13.300 1.482 -7.020 1.00 64.52 H new ATOM 0 HG23 THR A 15 -13.709 1.781 -8.726 1.00 64.52 H new ATOM 212 N TYR A 16 -12.191 3.991 -6.527 1.00 43.23 N ATOM 213 CA TYR A 16 -12.282 4.598 -5.220 1.00 63.10 C ATOM 214 C TYR A 16 -13.316 3.902 -4.379 1.00 43.45 C ATOM 215 O TYR A 16 -14.461 3.712 -4.804 1.00 33.31 O ATOM 216 CB TYR A 16 -12.612 6.081 -5.350 1.00 33.42 C ATOM 217 CG TYR A 16 -11.632 6.825 -6.219 1.00 54.33 C ATOM 218 CD1 TYR A 16 -10.419 7.270 -5.715 1.00 2.43 C ATOM 219 CD2 TYR A 16 -11.913 7.065 -7.557 1.00 34.32 C ATOM 220 CE1 TYR A 16 -9.522 7.933 -6.520 1.00 43.44 C ATOM 221 CE2 TYR A 16 -11.020 7.723 -8.364 1.00 3.22 C ATOM 222 CZ TYR A 16 -9.829 8.159 -7.846 1.00 43.41 C ATOM 223 OH TYR A 16 -8.926 8.805 -8.659 1.00 43.24 O ATOM 0 H TYR A 16 -12.919 4.280 -7.181 1.00 43.23 H new ATOM 0 HA TYR A 16 -11.316 4.495 -4.725 1.00 63.10 H new ATOM 0 HB2 TYR A 16 -13.614 6.190 -5.765 1.00 33.42 H new ATOM 0 HB3 TYR A 16 -12.627 6.533 -4.358 1.00 33.42 H new ATOM 0 HD1 TYR A 16 -10.176 7.094 -4.678 1.00 2.43 H new ATOM 0 HD2 TYR A 16 -12.852 6.727 -7.970 1.00 34.32 H new ATOM 0 HE1 TYR A 16 -8.581 8.275 -6.116 1.00 43.44 H new ATOM 0 HE2 TYR A 16 -11.255 7.897 -9.404 1.00 3.22 H new ATOM 0 HH TYR A 16 -9.297 8.883 -9.563 1.00 43.24 H new ATOM 233 N VAL A 17 -12.919 3.501 -3.208 1.00 1.11 N ATOM 234 CA VAL A 17 -13.795 2.830 -2.304 1.00 75.34 C ATOM 235 C VAL A 17 -13.851 3.574 -0.993 1.00 20.43 C ATOM 236 O VAL A 17 -12.826 3.867 -0.379 1.00 64.34 O ATOM 237 CB VAL A 17 -13.342 1.375 -2.026 1.00 4.33 C ATOM 238 CG1 VAL A 17 -14.333 0.660 -1.117 1.00 64.00 C ATOM 239 CG2 VAL A 17 -13.136 0.600 -3.315 1.00 4.23 C ATOM 0 H VAL A 17 -11.971 3.633 -2.854 1.00 1.11 H new ATOM 0 HA VAL A 17 -14.778 2.802 -2.773 1.00 75.34 H new ATOM 0 HB VAL A 17 -12.382 1.423 -1.513 1.00 4.33 H new ATOM 0 HG11 VAL A 17 -13.992 -0.360 -0.937 1.00 64.00 H new ATOM 0 HG12 VAL A 17 -14.405 1.191 -0.168 1.00 64.00 H new ATOM 0 HG13 VAL A 17 -15.313 0.636 -1.594 1.00 64.00 H new ATOM 0 HG21 VAL A 17 -12.819 -0.416 -3.082 1.00 4.23 H new ATOM 0 HG22 VAL A 17 -14.071 0.569 -3.874 1.00 4.23 H new ATOM 0 HG23 VAL A 17 -12.370 1.090 -3.916 1.00 4.23 H new ATOM 249 N LYS A 18 -15.029 3.899 -0.593 1.00 45.43 N ATOM 250 CA LYS A 18 -15.256 4.506 0.677 1.00 13.25 C ATOM 251 C LYS A 18 -15.513 3.402 1.693 1.00 64.44 C ATOM 252 O LYS A 18 -16.494 2.671 1.594 1.00 32.43 O ATOM 253 CB LYS A 18 -16.432 5.543 0.630 1.00 24.05 C ATOM 254 CG LYS A 18 -17.862 5.011 0.311 1.00 0.13 C ATOM 255 CD LYS A 18 -17.989 4.396 -1.082 1.00 65.15 C ATOM 256 CE LYS A 18 -19.405 3.935 -1.366 1.00 73.43 C ATOM 257 NZ LYS A 18 -19.509 3.289 -2.692 1.00 40.14 N ATOM 0 H LYS A 18 -15.875 3.750 -1.143 1.00 45.43 H new ATOM 0 HA LYS A 18 -14.374 5.075 0.971 1.00 13.25 H new ATOM 0 HB2 LYS A 18 -16.471 6.048 1.595 1.00 24.05 H new ATOM 0 HB3 LYS A 18 -16.182 6.298 -0.115 1.00 24.05 H new ATOM 0 HG2 LYS A 18 -18.137 4.264 1.055 1.00 0.13 H new ATOM 0 HG3 LYS A 18 -18.575 5.831 0.404 1.00 0.13 H new ATOM 0 HD2 LYS A 18 -17.688 5.128 -1.831 1.00 65.15 H new ATOM 0 HD3 LYS A 18 -17.307 3.550 -1.170 1.00 65.15 H new ATOM 0 HE2 LYS A 18 -19.723 3.235 -0.593 1.00 73.43 H new ATOM 0 HE3 LYS A 18 -20.082 4.788 -1.322 1.00 73.43 H new ATOM 0 HZ1 LYS A 18 -20.490 2.986 -2.854 1.00 40.14 H new ATOM 0 HZ2 LYS A 18 -19.229 3.965 -3.431 1.00 40.14 H new ATOM 0 HZ3 LYS A 18 -18.881 2.461 -2.725 1.00 40.14 H new ATOM 271 N GLY A 19 -14.621 3.250 2.622 1.00 71.11 N ATOM 272 CA GLY A 19 -14.753 2.215 3.601 1.00 20.42 C ATOM 273 C GLY A 19 -13.467 2.004 4.333 1.00 22.42 C ATOM 274 O GLY A 19 -12.552 2.840 4.227 1.00 31.30 O ATOM 0 H GLY A 19 -13.790 3.832 2.724 1.00 71.11 H new ATOM 0 HA2 GLY A 19 -15.540 2.477 4.309 1.00 20.42 H new ATOM 0 HA3 GLY A 19 -15.056 1.287 3.116 1.00 20.42 H new ATOM 278 N ASP A 20 -13.370 0.908 5.049 1.00 61.12 N ATOM 279 CA ASP A 20 -12.189 0.624 5.834 1.00 2.14 C ATOM 280 C ASP A 20 -11.114 0.015 4.974 1.00 72.01 C ATOM 281 O ASP A 20 -11.372 -0.900 4.192 1.00 14.11 O ATOM 282 CB ASP A 20 -12.497 -0.303 7.006 1.00 13.14 C ATOM 283 CG ASP A 20 -11.295 -0.519 7.901 1.00 63.23 C ATOM 284 OD1 ASP A 20 -10.951 0.384 8.687 1.00 35.14 O ATOM 285 OD2 ASP A 20 -10.673 -1.584 7.820 1.00 72.13 O ATOM 0 H ASP A 20 -14.097 0.195 5.105 1.00 61.12 H new ATOM 0 HA ASP A 20 -11.835 1.573 6.236 1.00 2.14 H new ATOM 0 HB2 ASP A 20 -13.313 0.117 7.593 1.00 13.14 H new ATOM 0 HB3 ASP A 20 -12.841 -1.265 6.625 1.00 13.14 H new ATOM 290 N LEU A 21 -9.924 0.513 5.134 1.00 63.31 N ATOM 291 CA LEU A 21 -8.775 0.093 4.371 1.00 11.40 C ATOM 292 C LEU A 21 -8.354 -1.356 4.711 1.00 11.12 C ATOM 293 O LEU A 21 -7.788 -2.052 3.878 1.00 60.35 O ATOM 294 CB LEU A 21 -7.649 1.160 4.569 1.00 65.32 C ATOM 295 CG LEU A 21 -6.253 0.969 3.923 1.00 14.41 C ATOM 296 CD1 LEU A 21 -5.432 -0.074 4.641 1.00 60.13 C ATOM 297 CD2 LEU A 21 -6.359 0.639 2.441 1.00 2.23 C ATOM 0 H LEU A 21 -9.715 1.242 5.816 1.00 63.31 H new ATOM 0 HA LEU A 21 -9.012 0.048 3.308 1.00 11.40 H new ATOM 0 HB2 LEU A 21 -8.042 2.111 4.208 1.00 65.32 H new ATOM 0 HB3 LEU A 21 -7.493 1.266 5.643 1.00 65.32 H new ATOM 0 HG LEU A 21 -5.735 1.923 4.022 1.00 14.41 H new ATOM 0 HD11 LEU A 21 -4.462 -0.173 4.153 1.00 60.13 H new ATOM 0 HD12 LEU A 21 -5.287 0.228 5.678 1.00 60.13 H new ATOM 0 HD13 LEU A 21 -5.953 -1.031 4.611 1.00 60.13 H new ATOM 0 HD21 LEU A 21 -5.360 0.513 2.024 1.00 2.23 H new ATOM 0 HD22 LEU A 21 -6.925 -0.284 2.313 1.00 2.23 H new ATOM 0 HD23 LEU A 21 -6.868 1.452 1.923 1.00 2.23 H new ATOM 309 N PHE A 22 -8.671 -1.820 5.903 1.00 32.14 N ATOM 310 CA PHE A 22 -8.314 -3.174 6.291 1.00 62.43 C ATOM 311 C PHE A 22 -9.390 -4.164 5.906 1.00 45.23 C ATOM 312 O PHE A 22 -9.203 -5.377 6.033 1.00 12.34 O ATOM 313 CB PHE A 22 -7.969 -3.276 7.777 1.00 33.41 C ATOM 314 CG PHE A 22 -6.711 -2.560 8.133 1.00 62.21 C ATOM 315 CD1 PHE A 22 -5.489 -3.203 8.015 1.00 33.41 C ATOM 316 CD2 PHE A 22 -6.734 -1.250 8.572 1.00 41.54 C ATOM 317 CE1 PHE A 22 -4.321 -2.555 8.329 1.00 44.42 C ATOM 318 CE2 PHE A 22 -5.569 -0.602 8.885 1.00 33.22 C ATOM 319 CZ PHE A 22 -4.361 -1.252 8.764 1.00 41.21 C ATOM 0 H PHE A 22 -9.170 -1.287 6.615 1.00 32.14 H new ATOM 0 HA PHE A 22 -7.412 -3.433 5.736 1.00 62.43 H new ATOM 0 HB2 PHE A 22 -8.792 -2.868 8.364 1.00 33.41 H new ATOM 0 HB3 PHE A 22 -7.873 -4.327 8.051 1.00 33.41 H new ATOM 0 HD1 PHE A 22 -5.456 -4.226 7.672 1.00 33.41 H new ATOM 0 HD2 PHE A 22 -7.678 -0.734 8.669 1.00 41.54 H new ATOM 0 HE1 PHE A 22 -3.375 -3.067 8.235 1.00 44.42 H new ATOM 0 HE2 PHE A 22 -5.598 0.422 9.228 1.00 33.22 H new ATOM 0 HZ PHE A 22 -3.444 -0.737 9.011 1.00 41.21 H new ATOM 329 N ALA A 23 -10.510 -3.652 5.414 1.00 3.54 N ATOM 330 CA ALA A 23 -11.599 -4.493 4.945 1.00 62.01 C ATOM 331 C ALA A 23 -11.398 -4.841 3.465 1.00 3.41 C ATOM 332 O ALA A 23 -12.313 -5.325 2.797 1.00 33.24 O ATOM 333 CB ALA A 23 -12.930 -3.783 5.148 1.00 3.14 C ATOM 0 H ALA A 23 -10.687 -2.651 5.330 1.00 3.54 H new ATOM 0 HA ALA A 23 -11.606 -5.418 5.521 1.00 62.01 H new ATOM 0 HB1 ALA A 23 -13.740 -4.420 4.794 1.00 3.14 H new ATOM 0 HB2 ALA A 23 -13.072 -3.571 6.208 1.00 3.14 H new ATOM 0 HB3 ALA A 23 -12.933 -2.848 4.588 1.00 3.14 H new ATOM 339 N CYS A 24 -10.191 -4.605 2.980 1.00 5.03 N ATOM 340 CA CYS A 24 -9.801 -4.885 1.607 1.00 13.03 C ATOM 341 C CYS A 24 -9.813 -6.402 1.296 1.00 61.43 C ATOM 342 O CYS A 24 -9.595 -7.236 2.198 1.00 61.24 O ATOM 343 CB CYS A 24 -8.422 -4.268 1.345 1.00 4.22 C ATOM 344 SG CYS A 24 -7.173 -4.684 2.587 1.00 25.52 S ATOM 0 H CYS A 24 -9.439 -4.205 3.541 1.00 5.03 H new ATOM 0 HA CYS A 24 -10.532 -4.434 0.936 1.00 13.03 H new ATOM 0 HB2 CYS A 24 -8.069 -4.597 0.367 1.00 4.22 H new ATOM 0 HB3 CYS A 24 -8.525 -3.184 1.299 1.00 4.22 H new ATOM 0 HG CYS A 24 -7.054 -3.700 3.429 1.00 25.52 H new ATOM 350 N PRO A 25 -10.082 -6.785 0.019 1.00 25.04 N ATOM 351 CA PRO A 25 -10.141 -8.195 -0.392 1.00 50.21 C ATOM 352 C PRO A 25 -8.804 -8.921 -0.185 1.00 51.44 C ATOM 353 O PRO A 25 -7.728 -8.347 -0.389 1.00 62.22 O ATOM 354 CB PRO A 25 -10.515 -8.137 -1.878 1.00 23.51 C ATOM 355 CG PRO A 25 -11.068 -6.768 -2.081 1.00 12.52 C ATOM 356 CD PRO A 25 -10.336 -5.885 -1.120 1.00 3.51 C ATOM 0 HA PRO A 25 -10.858 -8.759 0.204 1.00 50.21 H new ATOM 0 HB2 PRO A 25 -9.645 -8.310 -2.511 1.00 23.51 H new ATOM 0 HB3 PRO A 25 -11.250 -8.901 -2.131 1.00 23.51 H new ATOM 0 HG2 PRO A 25 -10.920 -6.435 -3.108 1.00 12.52 H new ATOM 0 HG3 PRO A 25 -12.141 -6.748 -1.891 1.00 12.52 H new ATOM 0 HD2 PRO A 25 -9.409 -5.502 -1.548 1.00 3.51 H new ATOM 0 HD3 PRO A 25 -10.934 -5.021 -0.828 1.00 3.51 H new ATOM 364 N LYS A 26 -8.881 -10.190 0.222 1.00 55.45 N ATOM 365 CA LYS A 26 -7.688 -10.995 0.581 1.00 60.21 C ATOM 366 C LYS A 26 -6.691 -11.161 -0.580 1.00 54.21 C ATOM 367 O LYS A 26 -5.503 -11.392 -0.350 1.00 71.22 O ATOM 368 CB LYS A 26 -8.052 -12.397 1.159 1.00 64.31 C ATOM 369 CG LYS A 26 -8.679 -13.402 0.164 1.00 42.31 C ATOM 370 CD LYS A 26 -10.116 -13.074 -0.275 1.00 13.14 C ATOM 371 CE LYS A 26 -11.182 -13.412 0.790 1.00 62.30 C ATOM 372 NZ LYS A 26 -11.089 -12.629 2.051 1.00 13.35 N ATOM 0 H LYS A 26 -9.762 -10.696 0.315 1.00 55.45 H new ATOM 0 HA LYS A 26 -7.200 -10.414 1.364 1.00 60.21 H new ATOM 0 HB2 LYS A 26 -7.147 -12.843 1.573 1.00 64.31 H new ATOM 0 HB3 LYS A 26 -8.746 -12.257 1.988 1.00 64.31 H new ATOM 0 HG2 LYS A 26 -8.047 -13.454 -0.723 1.00 42.31 H new ATOM 0 HG3 LYS A 26 -8.672 -14.393 0.619 1.00 42.31 H new ATOM 0 HD2 LYS A 26 -10.180 -12.013 -0.516 1.00 13.14 H new ATOM 0 HD3 LYS A 26 -10.342 -13.623 -1.189 1.00 13.14 H new ATOM 0 HE2 LYS A 26 -12.169 -13.254 0.355 1.00 62.30 H new ATOM 0 HE3 LYS A 26 -11.106 -14.472 1.033 1.00 62.30 H new ATOM 0 HZ1 LYS A 26 -12.035 -12.536 2.473 1.00 13.35 H new ATOM 0 HZ2 LYS A 26 -10.459 -13.119 2.718 1.00 13.35 H new ATOM 0 HZ3 LYS A 26 -10.708 -11.684 1.845 1.00 13.35 H new ATOM 386 N THR A 27 -7.182 -11.036 -1.800 1.00 43.44 N ATOM 387 CA THR A 27 -6.387 -11.202 -3.011 1.00 55.55 C ATOM 388 C THR A 27 -5.582 -9.960 -3.337 1.00 13.54 C ATOM 389 O THR A 27 -4.621 -9.991 -4.132 1.00 1.35 O ATOM 390 CB THR A 27 -7.353 -11.446 -4.156 1.00 41.12 C ATOM 391 OG1 THR A 27 -8.450 -10.495 -4.036 1.00 20.55 O ATOM 392 CG2 THR A 27 -7.888 -12.868 -4.134 1.00 43.14 C ATOM 0 H THR A 27 -8.160 -10.813 -1.984 1.00 43.44 H new ATOM 0 HA THR A 27 -5.692 -12.028 -2.862 1.00 55.55 H new ATOM 0 HB THR A 27 -6.831 -11.310 -5.103 1.00 41.12 H new ATOM 0 HG1 THR A 27 -8.097 -9.582 -4.077 1.00 20.55 H new ATOM 0 HG21 THR A 27 -8.577 -13.010 -4.967 1.00 43.14 H new ATOM 0 HG22 THR A 27 -7.059 -13.570 -4.225 1.00 43.14 H new ATOM 0 HG23 THR A 27 -8.412 -13.045 -3.195 1.00 43.14 H new ATOM 400 N ASP A 28 -5.950 -8.898 -2.714 1.00 53.30 N ATOM 401 CA ASP A 28 -5.368 -7.623 -2.956 1.00 31.22 C ATOM 402 C ASP A 28 -4.282 -7.369 -1.964 1.00 14.41 C ATOM 403 O ASP A 28 -4.447 -7.629 -0.756 1.00 31.54 O ATOM 404 CB ASP A 28 -6.449 -6.523 -2.862 1.00 32.30 C ATOM 405 CG ASP A 28 -7.546 -6.660 -3.917 1.00 55.32 C ATOM 406 OD1 ASP A 28 -8.195 -7.738 -3.995 1.00 42.11 O ATOM 407 OD2 ASP A 28 -7.800 -5.679 -4.660 1.00 4.12 O ATOM 0 H ASP A 28 -6.682 -8.889 -2.004 1.00 53.30 H new ATOM 0 HA ASP A 28 -4.941 -7.607 -3.959 1.00 31.22 H new ATOM 0 HB2 ASP A 28 -6.902 -6.553 -1.871 1.00 32.30 H new ATOM 0 HB3 ASP A 28 -5.974 -5.547 -2.966 1.00 32.30 H new ATOM 412 N SER A 29 -3.161 -6.900 -2.445 1.00 75.01 N ATOM 413 CA SER A 29 -2.104 -6.527 -1.574 1.00 40.32 C ATOM 414 C SER A 29 -2.319 -5.080 -1.170 1.00 32.34 C ATOM 415 O SER A 29 -3.171 -4.400 -1.752 1.00 12.44 O ATOM 416 CB SER A 29 -0.746 -6.783 -2.217 1.00 52.41 C ATOM 417 OG SER A 29 -0.592 -8.171 -2.496 1.00 30.53 O ATOM 0 H SER A 29 -2.967 -6.771 -3.438 1.00 75.01 H new ATOM 0 HA SER A 29 -2.109 -7.140 -0.672 1.00 40.32 H new ATOM 0 HB2 SER A 29 -0.656 -6.207 -3.138 1.00 52.41 H new ATOM 0 HB3 SER A 29 0.049 -6.447 -1.552 1.00 52.41 H new ATOM 0 HG SER A 29 0.282 -8.326 -2.910 1.00 30.53 H new ATOM 423 N LEU A 30 -1.592 -4.593 -0.218 1.00 52.52 N ATOM 424 CA LEU A 30 -1.920 -3.304 0.310 1.00 72.51 C ATOM 425 C LEU A 30 -0.695 -2.413 0.249 1.00 22.34 C ATOM 426 O LEU A 30 0.404 -2.868 0.497 1.00 41.12 O ATOM 427 CB LEU A 30 -2.404 -3.516 1.754 1.00 75.32 C ATOM 428 CG LEU A 30 -3.291 -2.446 2.396 1.00 12.42 C ATOM 429 CD1 LEU A 30 -3.719 -2.921 3.760 1.00 4.31 C ATOM 430 CD2 LEU A 30 -2.598 -1.096 2.481 1.00 2.30 C ATOM 0 H LEU A 30 -0.785 -5.053 0.204 1.00 52.52 H new ATOM 0 HA LEU A 30 -2.705 -2.814 -0.266 1.00 72.51 H new ATOM 0 HB2 LEU A 30 -2.949 -4.459 1.785 1.00 75.32 H new ATOM 0 HB3 LEU A 30 -1.523 -3.636 2.384 1.00 75.32 H new ATOM 0 HG LEU A 30 -4.167 -2.299 1.764 1.00 12.42 H new ATOM 0 HD11 LEU A 30 -4.352 -2.166 4.226 1.00 4.31 H new ATOM 0 HD12 LEU A 30 -4.277 -3.852 3.662 1.00 4.31 H new ATOM 0 HD13 LEU A 30 -2.838 -3.089 4.380 1.00 4.31 H new ATOM 0 HD21 LEU A 30 -3.268 -0.371 2.944 1.00 2.30 H new ATOM 0 HD22 LEU A 30 -1.693 -1.189 3.082 1.00 2.30 H new ATOM 0 HD23 LEU A 30 -2.335 -0.758 1.479 1.00 2.30 H new ATOM 442 N ALA A 31 -0.894 -1.159 -0.073 1.00 3.11 N ATOM 443 CA ALA A 31 0.188 -0.208 -0.192 1.00 32.41 C ATOM 444 C ALA A 31 -0.174 1.124 0.460 1.00 0.22 C ATOM 445 O ALA A 31 -1.337 1.437 0.618 1.00 75.35 O ATOM 446 CB ALA A 31 0.504 0.004 -1.653 1.00 3.32 C ATOM 0 H ALA A 31 -1.816 -0.765 -0.261 1.00 3.11 H new ATOM 0 HA ALA A 31 1.061 -0.607 0.324 1.00 32.41 H new ATOM 0 HB1 ALA A 31 1.320 0.721 -1.749 1.00 3.32 H new ATOM 0 HB2 ALA A 31 0.799 -0.944 -2.103 1.00 3.32 H new ATOM 0 HB3 ALA A 31 -0.379 0.389 -2.164 1.00 3.32 H new ATOM 452 N HIS A 32 0.838 1.867 0.895 1.00 44.23 N ATOM 453 CA HIS A 32 0.668 3.231 1.436 1.00 23.30 C ATOM 454 C HIS A 32 2.022 3.906 1.594 1.00 53.04 C ATOM 455 O HIS A 32 3.044 3.248 1.471 1.00 71.43 O ATOM 456 CB HIS A 32 -0.158 3.291 2.748 1.00 71.05 C ATOM 457 CG HIS A 32 0.388 2.520 3.891 1.00 10.42 C ATOM 458 ND1 HIS A 32 1.218 3.069 4.848 1.00 25.41 N ATOM 459 CD2 HIS A 32 0.208 1.234 4.244 1.00 64.54 C ATOM 460 CE1 HIS A 32 1.530 2.153 5.729 1.00 41.22 C ATOM 461 NE2 HIS A 32 0.935 1.028 5.390 1.00 13.55 N ATOM 0 H HIS A 32 1.807 1.548 0.887 1.00 44.23 H new ATOM 0 HA HIS A 32 0.076 3.783 0.706 1.00 23.30 H new ATOM 0 HB2 HIS A 32 -0.251 4.334 3.049 1.00 71.05 H new ATOM 0 HB3 HIS A 32 -1.165 2.929 2.538 1.00 71.05 H new ATOM 0 HD2 HIS A 32 -0.394 0.503 3.725 1.00 64.54 H new ATOM 0 HE1 HIS A 32 2.168 2.296 6.589 1.00 41.22 H new ATOM 0 HE2 HIS A 32 1.003 0.146 5.897 1.00 13.55 H new ATOM 470 N CYS A 33 2.024 5.186 1.909 1.00 50.31 N ATOM 471 CA CYS A 33 3.251 5.974 1.986 1.00 40.40 C ATOM 472 C CYS A 33 3.742 6.135 3.431 1.00 34.42 C ATOM 473 O CYS A 33 2.948 6.348 4.346 1.00 13.31 O ATOM 474 CB CYS A 33 2.981 7.351 1.368 1.00 52.43 C ATOM 475 SG CYS A 33 1.556 8.221 2.079 1.00 4.24 S ATOM 0 H CYS A 33 1.178 5.715 2.120 1.00 50.31 H new ATOM 0 HA CYS A 33 4.036 5.452 1.439 1.00 40.40 H new ATOM 0 HB2 CYS A 33 3.869 7.972 1.490 1.00 52.43 H new ATOM 0 HB3 CYS A 33 2.821 7.231 0.297 1.00 52.43 H new ATOM 0 HG CYS A 33 1.414 9.372 1.492 1.00 4.24 H new ATOM 481 N ILE A 34 5.045 5.992 3.630 1.00 21.05 N ATOM 482 CA ILE A 34 5.686 6.169 4.932 1.00 74.23 C ATOM 483 C ILE A 34 7.026 6.853 4.743 1.00 72.24 C ATOM 484 O ILE A 34 7.471 7.084 3.606 1.00 64.14 O ATOM 485 CB ILE A 34 5.936 4.860 5.741 1.00 70.23 C ATOM 486 CG1 ILE A 34 6.890 3.939 5.004 1.00 11.41 C ATOM 487 CG2 ILE A 34 4.637 4.152 6.082 1.00 60.44 C ATOM 488 CD1 ILE A 34 7.417 2.816 5.869 1.00 52.02 C ATOM 0 H ILE A 34 5.697 5.747 2.885 1.00 21.05 H new ATOM 0 HA ILE A 34 4.979 6.764 5.511 1.00 74.23 H new ATOM 0 HB ILE A 34 6.404 5.143 6.684 1.00 70.23 H new ATOM 0 HG12 ILE A 34 6.380 3.515 4.139 1.00 11.41 H new ATOM 0 HG13 ILE A 34 7.729 4.522 4.625 1.00 11.41 H new ATOM 0 HG21 ILE A 34 4.854 3.245 6.646 1.00 60.44 H new ATOM 0 HG22 ILE A 34 4.010 4.811 6.683 1.00 60.44 H new ATOM 0 HG23 ILE A 34 4.113 3.891 5.163 1.00 60.44 H new ATOM 0 HD11 ILE A 34 8.094 2.193 5.284 1.00 52.02 H new ATOM 0 HD12 ILE A 34 7.954 3.234 6.721 1.00 52.02 H new ATOM 0 HD13 ILE A 34 6.584 2.211 6.227 1.00 52.02 H new ATOM 500 N SER A 35 7.633 7.228 5.832 1.00 12.41 N ATOM 501 CA SER A 35 8.922 7.841 5.804 1.00 35.23 C ATOM 502 C SER A 35 10.020 6.776 5.907 1.00 24.15 C ATOM 503 O SER A 35 9.777 5.673 6.417 1.00 12.41 O ATOM 504 CB SER A 35 9.023 8.833 6.947 1.00 44.32 C ATOM 505 OG SER A 35 8.725 8.204 8.194 1.00 64.33 O ATOM 0 H SER A 35 7.242 7.115 6.767 1.00 12.41 H new ATOM 0 HA SER A 35 9.057 8.369 4.860 1.00 35.23 H new ATOM 0 HB2 SER A 35 10.027 9.256 6.979 1.00 44.32 H new ATOM 0 HB3 SER A 35 8.334 9.660 6.778 1.00 44.32 H new ATOM 0 HG SER A 35 8.798 8.861 8.917 1.00 64.33 H new ATOM 511 N GLU A 36 11.216 7.105 5.429 1.00 41.24 N ATOM 512 CA GLU A 36 12.361 6.185 5.484 1.00 31.42 C ATOM 513 C GLU A 36 12.845 6.058 6.915 1.00 22.25 C ATOM 514 O GLU A 36 13.530 5.110 7.275 1.00 55.22 O ATOM 515 CB GLU A 36 13.499 6.687 4.586 1.00 43.12 C ATOM 516 CG GLU A 36 14.136 7.953 5.033 1.00 32.41 C ATOM 517 CD GLU A 36 15.188 8.428 4.062 1.00 22.12 C ATOM 518 OE1 GLU A 36 14.839 8.870 2.929 1.00 24.52 O ATOM 519 OE2 GLU A 36 16.373 8.376 4.412 1.00 71.13 O ATOM 0 H GLU A 36 11.424 8.005 4.996 1.00 41.24 H new ATOM 0 HA GLU A 36 12.044 5.207 5.123 1.00 31.42 H new ATOM 0 HB2 GLU A 36 14.264 5.913 4.527 1.00 43.12 H new ATOM 0 HB3 GLU A 36 13.111 6.829 3.577 1.00 43.12 H new ATOM 0 HG2 GLU A 36 13.373 8.723 5.146 1.00 32.41 H new ATOM 0 HG3 GLU A 36 14.588 7.805 6.014 1.00 32.41 H new ATOM 526 N ASP A 37 12.491 7.044 7.705 1.00 41.32 N ATOM 527 CA ASP A 37 12.839 7.101 9.107 1.00 34.04 C ATOM 528 C ASP A 37 11.855 6.249 9.914 1.00 43.23 C ATOM 529 O ASP A 37 12.140 5.835 11.038 1.00 74.23 O ATOM 530 CB ASP A 37 12.838 8.570 9.549 1.00 4.31 C ATOM 531 CG ASP A 37 13.277 8.787 10.963 1.00 52.44 C ATOM 532 OD1 ASP A 37 14.425 8.460 11.295 1.00 73.52 O ATOM 533 OD2 ASP A 37 12.489 9.312 11.759 1.00 12.00 O ATOM 0 H ASP A 37 11.943 7.844 7.387 1.00 41.32 H new ATOM 0 HA ASP A 37 13.835 6.693 9.281 1.00 34.04 H new ATOM 0 HB2 ASP A 37 13.492 9.137 8.887 1.00 4.31 H new ATOM 0 HB3 ASP A 37 11.833 8.974 9.427 1.00 4.31 H new ATOM 538 N CYS A 38 10.696 5.999 9.303 1.00 12.13 N ATOM 539 CA CYS A 38 9.648 5.116 9.820 1.00 0.25 C ATOM 540 C CYS A 38 9.059 5.515 11.181 1.00 25.43 C ATOM 541 O CYS A 38 8.348 4.720 11.800 1.00 1.50 O ATOM 542 CB CYS A 38 10.103 3.659 9.797 1.00 60.20 C ATOM 543 SG CYS A 38 10.475 3.050 8.134 1.00 25.53 S ATOM 0 H CYS A 38 10.453 6.419 8.406 1.00 12.13 H new ATOM 0 HA CYS A 38 8.811 5.238 9.132 1.00 0.25 H new ATOM 0 HB2 CYS A 38 10.990 3.553 10.422 1.00 60.20 H new ATOM 0 HB3 CYS A 38 9.325 3.036 10.239 1.00 60.20 H new ATOM 0 HG CYS A 38 10.268 3.998 7.268 1.00 25.53 H new ATOM 549 N ARG A 39 9.322 6.732 11.640 1.00 34.21 N ATOM 550 CA ARG A 39 8.672 7.227 12.829 1.00 13.41 C ATOM 551 C ARG A 39 7.207 7.473 12.569 1.00 31.24 C ATOM 552 O ARG A 39 6.823 8.422 11.873 1.00 54.12 O ATOM 553 CB ARG A 39 9.365 8.442 13.396 1.00 11.11 C ATOM 554 CG ARG A 39 10.657 8.087 14.083 1.00 5.22 C ATOM 555 CD ARG A 39 11.319 9.304 14.642 1.00 45.20 C ATOM 556 NE ARG A 39 12.469 8.964 15.499 1.00 63.33 N ATOM 557 CZ ARG A 39 13.761 9.155 15.186 1.00 71.52 C ATOM 558 NH1 ARG A 39 14.109 9.459 13.948 1.00 33.24 N ATOM 559 NH2 ARG A 39 14.703 8.961 16.101 1.00 11.35 N ATOM 0 H ARG A 39 9.976 7.383 11.206 1.00 34.21 H new ATOM 0 HA ARG A 39 8.748 6.456 13.595 1.00 13.41 H new ATOM 0 HB2 ARG A 39 9.565 9.152 12.594 1.00 11.11 H new ATOM 0 HB3 ARG A 39 8.703 8.939 14.105 1.00 11.11 H new ATOM 0 HG2 ARG A 39 10.463 7.374 14.884 1.00 5.22 H new ATOM 0 HG3 ARG A 39 11.326 7.597 13.376 1.00 5.22 H new ATOM 0 HD2 ARG A 39 11.653 9.943 13.824 1.00 45.20 H new ATOM 0 HD3 ARG A 39 10.594 9.878 15.219 1.00 45.20 H new ATOM 0 HE ARG A 39 12.266 8.548 16.408 1.00 63.33 H new ATOM 0 HH11 ARG A 39 13.395 9.550 13.225 1.00 33.24 H new ATOM 0 HH12 ARG A 39 15.092 9.603 13.715 1.00 33.24 H new ATOM 0 HH21 ARG A 39 14.446 8.666 17.043 1.00 11.35 H new ATOM 0 HH22 ARG A 39 15.684 9.106 15.862 1.00 11.35 H new ATOM 573 N MET A 40 6.396 6.598 13.087 1.00 10.30 N ATOM 574 CA MET A 40 4.985 6.629 12.832 1.00 53.44 C ATOM 575 C MET A 40 4.253 7.221 13.998 1.00 32.22 C ATOM 576 O MET A 40 4.082 6.577 15.037 1.00 25.23 O ATOM 577 CB MET A 40 4.468 5.222 12.557 1.00 45.10 C ATOM 578 CG MET A 40 5.157 4.536 11.442 1.00 70.50 C ATOM 579 SD MET A 40 4.614 2.849 11.252 1.00 51.20 S ATOM 580 CE MET A 40 5.682 2.403 9.935 1.00 22.45 C ATOM 0 H MET A 40 6.695 5.840 13.700 1.00 10.30 H new ATOM 0 HA MET A 40 4.808 7.251 11.955 1.00 53.44 H new ATOM 0 HB2 MET A 40 4.576 4.623 13.461 1.00 45.10 H new ATOM 0 HB3 MET A 40 3.402 5.274 12.335 1.00 45.10 H new ATOM 0 HG2 MET A 40 4.976 5.081 10.515 1.00 70.50 H new ATOM 0 HG3 MET A 40 6.233 4.552 11.617 1.00 70.50 H new ATOM 0 HE1 MET A 40 5.502 1.365 9.657 1.00 22.45 H new ATOM 0 HE2 MET A 40 5.490 3.047 9.077 1.00 22.45 H new ATOM 0 HE3 MET A 40 6.718 2.519 10.252 1.00 22.45 H new ATOM 590 N GLY A 41 3.878 8.449 13.852 1.00 10.20 N ATOM 591 CA GLY A 41 3.107 9.114 14.858 1.00 1.51 C ATOM 592 C GLY A 41 1.756 9.474 14.317 1.00 1.42 C ATOM 593 O GLY A 41 0.821 9.746 15.071 1.00 0.24 O ATOM 0 H GLY A 41 4.095 9.021 13.036 1.00 10.20 H new ATOM 0 HA2 GLY A 41 2.998 8.469 15.730 1.00 1.51 H new ATOM 0 HA3 GLY A 41 3.626 10.013 15.190 1.00 1.51 H new ATOM 597 N ALA A 42 1.656 9.473 13.003 1.00 64.25 N ATOM 598 CA ALA A 42 0.427 9.798 12.323 1.00 33.25 C ATOM 599 C ALA A 42 0.351 9.042 11.017 1.00 51.34 C ATOM 600 O ALA A 42 1.333 8.396 10.601 1.00 52.21 O ATOM 601 CB ALA A 42 0.310 11.301 12.090 1.00 64.34 C ATOM 0 H ALA A 42 2.430 9.245 12.378 1.00 64.25 H new ATOM 0 HA ALA A 42 -0.411 9.498 12.953 1.00 33.25 H new ATOM 0 HB1 ALA A 42 -0.626 11.518 11.576 1.00 64.34 H new ATOM 0 HB2 ALA A 42 0.326 11.820 13.048 1.00 64.34 H new ATOM 0 HB3 ALA A 42 1.147 11.641 11.479 1.00 64.34 H new ATOM 607 N GLY A 43 -0.788 9.108 10.380 1.00 75.02 N ATOM 608 CA GLY A 43 -0.976 8.445 9.133 1.00 14.44 C ATOM 609 C GLY A 43 -1.579 7.085 9.321 1.00 53.24 C ATOM 610 O GLY A 43 -1.844 6.662 10.451 1.00 41.15 O ATOM 0 H GLY A 43 -1.603 9.622 10.715 1.00 75.02 H new ATOM 0 HA2 GLY A 43 -1.623 9.046 8.494 1.00 14.44 H new ATOM 0 HA3 GLY A 43 -0.018 8.352 8.621 1.00 14.44 H new ATOM 614 N ILE A 44 -1.775 6.382 8.234 1.00 60.03 N ATOM 615 CA ILE A 44 -2.367 5.062 8.283 1.00 12.54 C ATOM 616 C ILE A 44 -1.352 4.033 8.807 1.00 72.05 C ATOM 617 O ILE A 44 -1.702 2.915 9.178 1.00 33.20 O ATOM 618 CB ILE A 44 -2.932 4.650 6.897 1.00 4.51 C ATOM 619 CG1 ILE A 44 -3.649 3.317 6.976 1.00 43.41 C ATOM 620 CG2 ILE A 44 -1.841 4.598 5.845 1.00 11.53 C ATOM 621 CD1 ILE A 44 -4.340 2.959 5.735 1.00 24.44 C ATOM 0 H ILE A 44 -1.532 6.702 7.296 1.00 60.03 H new ATOM 0 HA ILE A 44 -3.205 5.089 8.979 1.00 12.54 H new ATOM 0 HB ILE A 44 -3.651 5.414 6.601 1.00 4.51 H new ATOM 0 HG12 ILE A 44 -2.927 2.538 7.220 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.372 3.349 7.791 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -2.272 4.306 4.887 1.00 11.53 H new ATOM 0 HG22 ILE A 44 -1.379 5.581 5.751 1.00 11.53 H new ATOM 0 HG23 ILE A 44 -1.086 3.869 6.140 1.00 11.53 H new ATOM 0 HD11 ILE A 44 -4.833 1.995 5.858 1.00 24.44 H new ATOM 0 HD12 ILE A 44 -5.085 3.720 5.501 1.00 24.44 H new ATOM 0 HD13 ILE A 44 -3.617 2.896 4.921 1.00 24.44 H new ATOM 633 N ALA A 45 -0.098 4.441 8.862 1.00 45.14 N ATOM 634 CA ALA A 45 0.970 3.605 9.364 1.00 0.14 C ATOM 635 C ALA A 45 0.729 3.215 10.826 1.00 51.45 C ATOM 636 O ALA A 45 1.068 2.118 11.240 1.00 22.11 O ATOM 637 CB ALA A 45 2.291 4.309 9.209 1.00 12.03 C ATOM 0 H ALA A 45 0.207 5.366 8.558 1.00 45.14 H new ATOM 0 HA ALA A 45 0.991 2.686 8.779 1.00 0.14 H new ATOM 0 HB1 ALA A 45 3.090 3.672 9.590 1.00 12.03 H new ATOM 0 HB2 ALA A 45 2.468 4.522 8.155 1.00 12.03 H new ATOM 0 HB3 ALA A 45 2.273 5.243 9.770 1.00 12.03 H new ATOM 643 N VAL A 46 0.101 4.114 11.582 1.00 11.43 N ATOM 644 CA VAL A 46 -0.237 3.850 12.981 1.00 5.45 C ATOM 645 C VAL A 46 -1.266 2.702 13.079 1.00 3.31 C ATOM 646 O VAL A 46 -1.313 1.973 14.049 1.00 5.34 O ATOM 647 CB VAL A 46 -0.701 5.118 13.751 1.00 21.22 C ATOM 648 CG1 VAL A 46 -0.965 4.788 15.219 1.00 25.22 C ATOM 649 CG2 VAL A 46 0.372 6.183 13.657 1.00 50.34 C ATOM 0 H VAL A 46 -0.185 5.035 11.249 1.00 11.43 H new ATOM 0 HA VAL A 46 0.680 3.534 13.478 1.00 5.45 H new ATOM 0 HB VAL A 46 -1.626 5.482 13.304 1.00 21.22 H new ATOM 0 HG11 VAL A 46 -1.289 5.688 15.742 1.00 25.22 H new ATOM 0 HG12 VAL A 46 -1.744 4.029 15.287 1.00 25.22 H new ATOM 0 HG13 VAL A 46 -0.051 4.411 15.677 1.00 25.22 H new ATOM 0 HG21 VAL A 46 0.049 7.073 14.196 1.00 50.34 H new ATOM 0 HG22 VAL A 46 1.296 5.808 14.096 1.00 50.34 H new ATOM 0 HG23 VAL A 46 0.544 6.435 12.611 1.00 50.34 H new ATOM 659 N LEU A 47 -2.108 2.567 12.088 1.00 52.52 N ATOM 660 CA LEU A 47 -3.012 1.427 12.048 1.00 43.41 C ATOM 661 C LEU A 47 -2.214 0.116 11.814 1.00 62.51 C ATOM 662 O LEU A 47 -2.458 -0.900 12.471 1.00 20.11 O ATOM 663 CB LEU A 47 -4.110 1.609 10.995 1.00 62.35 C ATOM 664 CG LEU A 47 -5.087 2.777 11.221 1.00 62.32 C ATOM 665 CD1 LEU A 47 -6.096 2.862 10.091 1.00 43.33 C ATOM 666 CD2 LEU A 47 -5.824 2.600 12.533 1.00 21.32 C ATOM 0 H LEU A 47 -2.194 3.216 11.306 1.00 52.52 H new ATOM 0 HA LEU A 47 -3.511 1.358 13.015 1.00 43.41 H new ATOM 0 HB2 LEU A 47 -3.633 1.745 10.024 1.00 62.35 H new ATOM 0 HB3 LEU A 47 -4.687 0.686 10.940 1.00 62.35 H new ATOM 0 HG LEU A 47 -4.506 3.699 11.250 1.00 62.32 H new ATOM 0 HD11 LEU A 47 -6.776 3.694 10.272 1.00 43.33 H new ATOM 0 HD12 LEU A 47 -5.573 3.019 9.148 1.00 43.33 H new ATOM 0 HD13 LEU A 47 -6.665 1.933 10.040 1.00 43.33 H new ATOM 0 HD21 LEU A 47 -6.511 3.433 12.680 1.00 21.32 H new ATOM 0 HD22 LEU A 47 -6.385 1.666 12.512 1.00 21.32 H new ATOM 0 HD23 LEU A 47 -5.106 2.573 13.353 1.00 21.32 H new ATOM 678 N PHE A 48 -1.222 0.174 10.918 1.00 4.23 N ATOM 679 CA PHE A 48 -0.340 -0.984 10.614 1.00 2.44 C ATOM 680 C PHE A 48 0.545 -1.329 11.795 1.00 54.32 C ATOM 681 O PHE A 48 0.982 -2.475 11.965 1.00 23.12 O ATOM 682 CB PHE A 48 0.482 -0.751 9.346 1.00 33.43 C ATOM 683 CG PHE A 48 -0.341 -0.830 8.102 1.00 4.25 C ATOM 684 CD1 PHE A 48 -1.233 0.167 7.771 1.00 73.42 C ATOM 685 CD2 PHE A 48 -0.240 -1.927 7.272 1.00 24.25 C ATOM 686 CE1 PHE A 48 -1.999 0.069 6.636 1.00 71.22 C ATOM 687 CE2 PHE A 48 -1.008 -2.025 6.141 1.00 70.52 C ATOM 688 CZ PHE A 48 -1.884 -1.024 5.829 1.00 34.15 C ATOM 0 H PHE A 48 -1.000 1.013 10.381 1.00 4.23 H new ATOM 0 HA PHE A 48 -0.985 -1.842 10.426 1.00 2.44 H new ATOM 0 HB2 PHE A 48 0.957 0.229 9.401 1.00 33.43 H new ATOM 0 HB3 PHE A 48 1.281 -1.490 9.295 1.00 33.43 H new ATOM 0 HD1 PHE A 48 -1.330 1.032 8.410 1.00 73.42 H new ATOM 0 HD2 PHE A 48 0.453 -2.719 7.516 1.00 24.25 H new ATOM 0 HE1 PHE A 48 -2.692 0.857 6.382 1.00 71.22 H new ATOM 0 HE2 PHE A 48 -0.921 -2.889 5.499 1.00 70.52 H new ATOM 0 HZ PHE A 48 -2.489 -1.099 4.938 1.00 34.15 H new ATOM 698 N LYS A 49 0.785 -0.329 12.581 1.00 51.43 N ATOM 699 CA LYS A 49 1.506 -0.399 13.826 1.00 13.31 C ATOM 700 C LYS A 49 0.884 -1.488 14.723 1.00 70.01 C ATOM 701 O LYS A 49 1.594 -2.372 15.200 1.00 53.24 O ATOM 702 CB LYS A 49 1.337 0.984 14.436 1.00 31.24 C ATOM 703 CG LYS A 49 1.768 1.242 15.843 1.00 44.40 C ATOM 704 CD LYS A 49 3.243 1.200 16.037 1.00 3.04 C ATOM 705 CE LYS A 49 3.539 1.810 17.374 1.00 71.30 C ATOM 706 NZ LYS A 49 4.965 1.755 17.715 1.00 51.31 N ATOM 0 H LYS A 49 0.468 0.616 12.365 1.00 51.43 H new ATOM 0 HA LYS A 49 2.557 -0.660 13.703 1.00 13.31 H new ATOM 0 HB2 LYS A 49 1.875 1.686 13.799 1.00 31.24 H new ATOM 0 HB3 LYS A 49 0.279 1.240 14.370 1.00 31.24 H new ATOM 0 HG2 LYS A 49 1.398 2.219 16.153 1.00 44.40 H new ATOM 0 HG3 LYS A 49 1.304 0.503 16.496 1.00 44.40 H new ATOM 0 HD2 LYS A 49 3.606 0.173 15.995 1.00 3.04 H new ATOM 0 HD3 LYS A 49 3.750 1.750 15.244 1.00 3.04 H new ATOM 0 HE2 LYS A 49 3.208 2.849 17.377 1.00 71.30 H new ATOM 0 HE3 LYS A 49 2.965 1.291 18.141 1.00 71.30 H new ATOM 0 HZ1 LYS A 49 5.116 2.189 18.648 1.00 51.31 H new ATOM 0 HZ2 LYS A 49 5.278 0.764 17.740 1.00 51.31 H new ATOM 0 HZ3 LYS A 49 5.513 2.273 16.999 1.00 51.31 H new ATOM 720 N LYS A 50 -0.433 -1.434 14.936 1.00 40.24 N ATOM 721 CA LYS A 50 -1.098 -2.470 15.708 1.00 74.34 C ATOM 722 C LYS A 50 -1.257 -3.768 14.921 1.00 63.33 C ATOM 723 O LYS A 50 -1.090 -4.859 15.464 1.00 75.41 O ATOM 724 CB LYS A 50 -2.468 -2.061 16.231 1.00 31.33 C ATOM 725 CG LYS A 50 -2.499 -0.918 17.238 1.00 1.34 C ATOM 726 CD LYS A 50 -2.389 0.448 16.606 1.00 42.23 C ATOM 727 CE LYS A 50 -3.591 0.725 15.709 1.00 1.35 C ATOM 728 NZ LYS A 50 -4.882 0.673 16.444 1.00 13.23 N ATOM 0 H LYS A 50 -1.045 -0.696 14.589 1.00 40.24 H new ATOM 0 HA LYS A 50 -0.436 -2.629 16.560 1.00 74.34 H new ATOM 0 HB2 LYS A 50 -3.089 -1.782 15.379 1.00 31.33 H new ATOM 0 HB3 LYS A 50 -2.932 -2.934 16.691 1.00 31.33 H new ATOM 0 HG2 LYS A 50 -3.427 -0.972 17.807 1.00 1.34 H new ATOM 0 HG3 LYS A 50 -1.682 -1.048 17.947 1.00 1.34 H new ATOM 0 HD2 LYS A 50 -2.326 1.210 17.383 1.00 42.23 H new ATOM 0 HD3 LYS A 50 -1.471 0.511 16.022 1.00 42.23 H new ATOM 0 HE2 LYS A 50 -3.478 1.708 15.251 1.00 1.35 H new ATOM 0 HE3 LYS A 50 -3.610 -0.004 14.899 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 -5.628 1.109 15.866 1.00 13.23 H new ATOM 0 HZ2 LYS A 50 -5.130 -0.318 16.640 1.00 13.23 H new ATOM 0 HZ3 LYS A 50 -4.792 1.191 17.341 1.00 13.23 H new ATOM 742 N LYS A 51 -1.589 -3.637 13.640 1.00 64.03 N ATOM 743 CA LYS A 51 -1.921 -4.781 12.797 1.00 62.43 C ATOM 744 C LYS A 51 -0.745 -5.694 12.468 1.00 33.54 C ATOM 745 O LYS A 51 -0.884 -6.914 12.529 1.00 10.35 O ATOM 746 CB LYS A 51 -2.598 -4.318 11.503 1.00 72.23 C ATOM 747 CG LYS A 51 -3.940 -3.673 11.665 1.00 12.32 C ATOM 748 CD LYS A 51 -4.904 -4.672 12.148 1.00 73.32 C ATOM 749 CE LYS A 51 -6.284 -4.090 12.343 1.00 64.31 C ATOM 750 NZ LYS A 51 -7.240 -5.103 12.827 1.00 14.15 N ATOM 0 H LYS A 51 -1.635 -2.739 13.159 1.00 64.03 H new ATOM 0 HA LYS A 51 -2.608 -5.382 13.393 1.00 62.43 H new ATOM 0 HB2 LYS A 51 -1.935 -3.613 11.000 1.00 72.23 H new ATOM 0 HB3 LYS A 51 -2.707 -5.179 10.844 1.00 72.23 H new ATOM 0 HG2 LYS A 51 -3.875 -2.843 12.369 1.00 12.32 H new ATOM 0 HG3 LYS A 51 -4.274 -3.258 10.714 1.00 12.32 H new ATOM 0 HD2 LYS A 51 -4.957 -5.496 11.437 1.00 73.32 H new ATOM 0 HD3 LYS A 51 -4.551 -5.088 13.092 1.00 73.32 H new ATOM 0 HE2 LYS A 51 -6.234 -3.267 13.056 1.00 64.31 H new ATOM 0 HE3 LYS A 51 -6.640 -3.675 11.400 1.00 64.31 H new ATOM 0 HZ1 LYS A 51 -8.176 -4.667 12.949 1.00 14.15 H new ATOM 0 HZ2 LYS A 51 -7.306 -5.877 12.135 1.00 14.15 H new ATOM 0 HZ3 LYS A 51 -6.913 -5.481 13.739 1.00 14.15 H new ATOM 764 N PHE A 52 0.385 -5.136 12.099 1.00 4.14 N ATOM 765 CA PHE A 52 1.503 -5.986 11.723 1.00 63.35 C ATOM 766 C PHE A 52 2.732 -5.754 12.587 1.00 75.35 C ATOM 767 O PHE A 52 3.554 -6.659 12.741 1.00 22.00 O ATOM 768 CB PHE A 52 1.845 -5.796 10.238 1.00 30.21 C ATOM 769 CG PHE A 52 0.687 -6.085 9.315 1.00 52.21 C ATOM 770 CD1 PHE A 52 0.371 -7.383 8.960 1.00 72.13 C ATOM 771 CD2 PHE A 52 -0.086 -5.055 8.813 1.00 15.42 C ATOM 772 CE1 PHE A 52 -0.697 -7.648 8.121 1.00 20.15 C ATOM 773 CE2 PHE A 52 -1.155 -5.315 7.974 1.00 53.12 C ATOM 774 CZ PHE A 52 -1.457 -6.612 7.628 1.00 15.14 C ATOM 0 H PHE A 52 0.558 -4.132 12.050 1.00 4.14 H new ATOM 0 HA PHE A 52 1.189 -7.016 11.891 1.00 63.35 H new ATOM 0 HB2 PHE A 52 2.180 -4.771 10.078 1.00 30.21 H new ATOM 0 HB3 PHE A 52 2.679 -6.448 9.978 1.00 30.21 H new ATOM 0 HD1 PHE A 52 0.965 -8.200 9.342 1.00 72.13 H new ATOM 0 HD2 PHE A 52 0.147 -4.035 9.079 1.00 15.42 H new ATOM 0 HE1 PHE A 52 -0.934 -8.667 7.853 1.00 20.15 H new ATOM 0 HE2 PHE A 52 -1.752 -4.501 7.591 1.00 53.12 H new ATOM 0 HZ PHE A 52 -2.289 -6.817 6.971 1.00 15.14 H new ATOM 784 N GLY A 53 2.836 -4.555 13.176 1.00 30.51 N ATOM 785 CA GLY A 53 3.983 -4.209 14.023 1.00 71.33 C ATOM 786 C GLY A 53 5.318 -4.526 13.361 1.00 22.23 C ATOM 787 O GLY A 53 6.163 -5.214 13.940 1.00 72.23 O ATOM 0 H GLY A 53 2.143 -3.813 13.082 1.00 30.51 H new ATOM 0 HA2 GLY A 53 3.944 -3.147 14.264 1.00 71.33 H new ATOM 0 HA3 GLY A 53 3.911 -4.752 14.965 1.00 71.33 H new ATOM 791 N GLY A 54 5.501 -4.054 12.149 1.00 65.35 N ATOM 792 CA GLY A 54 6.702 -4.373 11.415 1.00 72.14 C ATOM 793 C GLY A 54 7.537 -3.167 11.094 1.00 3.32 C ATOM 794 O GLY A 54 8.068 -3.059 10.000 1.00 51.53 O ATOM 0 H GLY A 54 4.840 -3.454 11.655 1.00 65.35 H new ATOM 0 HA2 GLY A 54 7.299 -5.076 11.996 1.00 72.14 H new ATOM 0 HA3 GLY A 54 6.430 -4.876 10.487 1.00 72.14 H new ATOM 798 N VAL A 55 7.680 -2.276 12.053 1.00 32.54 N ATOM 799 CA VAL A 55 8.443 -1.051 11.860 1.00 51.42 C ATOM 800 C VAL A 55 9.928 -1.392 11.686 1.00 21.33 C ATOM 801 O VAL A 55 10.610 -0.872 10.801 1.00 1.51 O ATOM 802 CB VAL A 55 8.269 -0.088 13.065 1.00 1.42 C ATOM 803 CG1 VAL A 55 9.001 1.220 12.826 1.00 0.24 C ATOM 804 CG2 VAL A 55 6.792 0.165 13.350 1.00 14.22 C ATOM 0 H VAL A 55 7.275 -2.375 12.984 1.00 32.54 H new ATOM 0 HA VAL A 55 8.069 -0.552 10.966 1.00 51.42 H new ATOM 0 HB VAL A 55 8.708 -0.566 13.941 1.00 1.42 H new ATOM 0 HG11 VAL A 55 8.863 1.876 13.685 1.00 0.24 H new ATOM 0 HG12 VAL A 55 10.064 1.022 12.688 1.00 0.24 H new ATOM 0 HG13 VAL A 55 8.603 1.702 11.933 1.00 0.24 H new ATOM 0 HG21 VAL A 55 6.696 0.843 14.198 1.00 14.22 H new ATOM 0 HG22 VAL A 55 6.324 0.613 12.473 1.00 14.22 H new ATOM 0 HG23 VAL A 55 6.299 -0.779 13.582 1.00 14.22 H new ATOM 814 N GLN A 56 10.408 -2.300 12.517 1.00 2.41 N ATOM 815 CA GLN A 56 11.775 -2.742 12.464 1.00 31.35 C ATOM 816 C GLN A 56 12.041 -3.565 11.237 1.00 21.04 C ATOM 817 O GLN A 56 13.123 -3.510 10.691 1.00 74.22 O ATOM 818 CB GLN A 56 12.168 -3.475 13.739 1.00 3.52 C ATOM 819 CG GLN A 56 12.485 -2.575 14.947 1.00 40.24 C ATOM 820 CD GLN A 56 11.390 -1.582 15.305 1.00 53.14 C ATOM 821 OE1 GLN A 56 10.479 -1.888 16.079 1.00 75.03 O ATOM 822 NE2 GLN A 56 11.491 -0.383 14.778 1.00 42.54 N ATOM 0 H GLN A 56 9.853 -2.748 13.246 1.00 2.41 H new ATOM 0 HA GLN A 56 12.407 -1.857 12.394 1.00 31.35 H new ATOM 0 HB2 GLN A 56 11.358 -4.151 14.014 1.00 3.52 H new ATOM 0 HB3 GLN A 56 13.041 -4.093 13.528 1.00 3.52 H new ATOM 0 HG2 GLN A 56 12.680 -3.208 15.813 1.00 40.24 H new ATOM 0 HG3 GLN A 56 13.403 -2.024 14.741 1.00 40.24 H new ATOM 0 HE21 GLN A 56 12.259 -0.169 14.142 1.00 42.54 H new ATOM 0 HE22 GLN A 56 10.801 0.334 15.005 1.00 42.54 H new ATOM 831 N GLU A 57 11.040 -4.300 10.778 1.00 12.04 N ATOM 832 CA GLU A 57 11.178 -5.089 9.556 1.00 14.42 C ATOM 833 C GLU A 57 11.489 -4.172 8.374 1.00 14.41 C ATOM 834 O GLU A 57 12.246 -4.532 7.467 1.00 61.51 O ATOM 835 CB GLU A 57 9.910 -5.881 9.261 1.00 44.33 C ATOM 836 CG GLU A 57 9.528 -6.897 10.315 1.00 72.22 C ATOM 837 CD GLU A 57 8.311 -7.694 9.913 1.00 44.23 C ATOM 838 OE1 GLU A 57 8.456 -8.685 9.175 1.00 14.04 O ATOM 839 OE2 GLU A 57 7.184 -7.360 10.335 1.00 31.02 O ATOM 0 H GLU A 57 10.127 -4.369 11.227 1.00 12.04 H new ATOM 0 HA GLU A 57 11.998 -5.792 9.704 1.00 14.42 H new ATOM 0 HB2 GLU A 57 9.084 -5.181 9.137 1.00 44.33 H new ATOM 0 HB3 GLU A 57 10.036 -6.397 8.309 1.00 44.33 H new ATOM 0 HG2 GLU A 57 10.365 -7.574 10.487 1.00 72.22 H new ATOM 0 HG3 GLU A 57 9.332 -6.386 11.258 1.00 72.22 H new ATOM 846 N LEU A 58 10.904 -2.988 8.413 1.00 73.12 N ATOM 847 CA LEU A 58 11.101 -1.968 7.400 1.00 75.34 C ATOM 848 C LEU A 58 12.484 -1.346 7.539 1.00 23.32 C ATOM 849 O LEU A 58 13.258 -1.295 6.578 1.00 32.45 O ATOM 850 CB LEU A 58 10.038 -0.890 7.560 1.00 51.14 C ATOM 851 CG LEU A 58 8.597 -1.376 7.511 1.00 41.14 C ATOM 852 CD1 LEU A 58 7.641 -0.231 7.753 1.00 31.31 C ATOM 853 CD2 LEU A 58 8.306 -2.052 6.187 1.00 42.33 C ATOM 0 H LEU A 58 10.270 -2.705 9.160 1.00 73.12 H new ATOM 0 HA LEU A 58 11.019 -2.424 6.413 1.00 75.34 H new ATOM 0 HB2 LEU A 58 10.200 -0.384 8.512 1.00 51.14 H new ATOM 0 HB3 LEU A 58 10.179 -0.147 6.775 1.00 51.14 H new ATOM 0 HG LEU A 58 8.455 -2.110 8.304 1.00 41.14 H new ATOM 0 HD11 LEU A 58 6.616 -0.599 7.714 1.00 31.31 H new ATOM 0 HD12 LEU A 58 7.834 0.203 8.734 1.00 31.31 H new ATOM 0 HD13 LEU A 58 7.783 0.530 6.986 1.00 31.31 H new ATOM 0 HD21 LEU A 58 7.271 -2.392 6.172 1.00 42.33 H new ATOM 0 HD22 LEU A 58 8.467 -1.344 5.374 1.00 42.33 H new ATOM 0 HD23 LEU A 58 8.971 -2.907 6.061 1.00 42.33 H new ATOM 865 N LEU A 59 12.796 -0.891 8.746 1.00 40.45 N ATOM 866 CA LEU A 59 14.077 -0.258 9.024 1.00 40.35 C ATOM 867 C LEU A 59 15.260 -1.184 8.839 1.00 71.31 C ATOM 868 O LEU A 59 16.321 -0.743 8.467 1.00 75.30 O ATOM 869 CB LEU A 59 14.099 0.427 10.390 1.00 41.51 C ATOM 870 CG LEU A 59 13.248 1.700 10.502 1.00 43.22 C ATOM 871 CD1 LEU A 59 13.311 2.279 11.900 1.00 71.51 C ATOM 872 CD2 LEU A 59 13.718 2.739 9.493 1.00 35.30 C ATOM 0 H LEU A 59 12.174 -0.950 9.552 1.00 40.45 H new ATOM 0 HA LEU A 59 14.186 0.520 8.269 1.00 40.35 H new ATOM 0 HB2 LEU A 59 13.757 -0.286 11.140 1.00 41.51 H new ATOM 0 HB3 LEU A 59 15.131 0.677 10.635 1.00 41.51 H new ATOM 0 HG LEU A 59 12.214 1.431 10.288 1.00 43.22 H new ATOM 0 HD11 LEU A 59 12.699 3.180 11.949 1.00 71.51 H new ATOM 0 HD12 LEU A 59 12.936 1.546 12.615 1.00 71.51 H new ATOM 0 HD13 LEU A 59 14.344 2.529 12.144 1.00 71.51 H new ATOM 0 HD21 LEU A 59 13.106 3.637 9.583 1.00 35.30 H new ATOM 0 HD22 LEU A 59 14.761 2.990 9.688 1.00 35.30 H new ATOM 0 HD23 LEU A 59 13.624 2.336 8.485 1.00 35.30 H new ATOM 884 N ASN A 60 15.080 -2.455 9.085 1.00 45.41 N ATOM 885 CA ASN A 60 16.150 -3.426 8.850 1.00 15.22 C ATOM 886 C ASN A 60 16.437 -3.625 7.362 1.00 21.30 C ATOM 887 O ASN A 60 17.486 -4.156 6.985 1.00 45.53 O ATOM 888 CB ASN A 60 15.887 -4.744 9.575 1.00 62.13 C ATOM 889 CG ASN A 60 15.994 -4.583 11.084 1.00 14.41 C ATOM 890 OD1 ASN A 60 16.792 -3.776 11.578 1.00 72.22 O ATOM 891 ND2 ASN A 60 15.175 -5.295 11.820 1.00 62.03 N ATOM 0 H ASN A 60 14.213 -2.854 9.446 1.00 45.41 H new ATOM 0 HA ASN A 60 17.059 -3.006 9.280 1.00 15.22 H new ATOM 0 HB2 ASN A 60 14.893 -5.110 9.317 1.00 62.13 H new ATOM 0 HB3 ASN A 60 16.601 -5.495 9.237 1.00 62.13 H new ATOM 0 HD21 ASN A 60 15.182 -5.193 12.835 1.00 62.03 H new ATOM 0 HD22 ASN A 60 14.531 -5.951 11.378 1.00 62.03 H new ATOM 898 N GLN A 61 15.508 -3.214 6.512 1.00 74.22 N ATOM 899 CA GLN A 61 15.743 -3.227 5.074 1.00 15.35 C ATOM 900 C GLN A 61 16.603 -2.028 4.685 1.00 10.23 C ATOM 901 O GLN A 61 17.432 -2.112 3.782 1.00 70.02 O ATOM 902 CB GLN A 61 14.432 -3.192 4.276 1.00 25.41 C ATOM 903 CG GLN A 61 13.517 -4.376 4.507 1.00 33.15 C ATOM 904 CD GLN A 61 12.253 -4.323 3.663 1.00 52.34 C ATOM 905 OE1 GLN A 61 12.243 -3.775 2.561 1.00 72.54 O ATOM 906 NE2 GLN A 61 11.187 -4.898 4.162 1.00 22.23 N ATOM 0 H GLN A 61 14.589 -2.869 6.790 1.00 74.22 H new ATOM 0 HA GLN A 61 16.257 -4.157 4.833 1.00 15.35 H new ATOM 0 HB2 GLN A 61 13.893 -2.279 4.529 1.00 25.41 H new ATOM 0 HB3 GLN A 61 14.671 -3.137 3.214 1.00 25.41 H new ATOM 0 HG2 GLN A 61 14.058 -5.295 4.284 1.00 33.15 H new ATOM 0 HG3 GLN A 61 13.242 -4.416 5.561 1.00 33.15 H new ATOM 0 HE21 GLN A 61 11.230 -5.343 5.079 1.00 22.23 H new ATOM 0 HE22 GLN A 61 10.314 -4.900 3.634 1.00 22.23 H new ATOM 915 N GLN A 62 16.410 -0.929 5.419 1.00 43.22 N ATOM 916 CA GLN A 62 17.023 0.352 5.143 1.00 53.54 C ATOM 917 C GLN A 62 16.798 0.829 3.738 1.00 51.30 C ATOM 918 O GLN A 62 17.623 0.632 2.840 1.00 21.40 O ATOM 919 CB GLN A 62 18.473 0.452 5.574 1.00 53.24 C ATOM 920 CG GLN A 62 18.645 0.466 7.067 1.00 24.51 C ATOM 921 CD GLN A 62 20.095 0.548 7.512 1.00 34.42 C ATOM 922 OE1 GLN A 62 20.946 1.112 6.824 1.00 75.05 O ATOM 923 NE2 GLN A 62 20.387 -0.001 8.663 1.00 33.30 N ATOM 0 H GLN A 62 15.806 -0.916 6.241 1.00 43.22 H new ATOM 0 HA GLN A 62 16.489 1.052 5.786 1.00 53.54 H new ATOM 0 HB2 GLN A 62 19.028 -0.389 5.158 1.00 53.24 H new ATOM 0 HB3 GLN A 62 18.908 1.359 5.156 1.00 53.24 H new ATOM 0 HG2 GLN A 62 18.099 1.314 7.479 1.00 24.51 H new ATOM 0 HG3 GLN A 62 18.196 -0.435 7.484 1.00 24.51 H new ATOM 0 HE21 GLN A 62 19.658 -0.461 9.208 1.00 33.30 H new ATOM 0 HE22 GLN A 62 21.344 0.031 9.015 1.00 33.30 H new ATOM 932 N LYS A 63 15.647 1.383 3.545 1.00 14.01 N ATOM 933 CA LYS A 63 15.261 1.959 2.291 1.00 64.51 C ATOM 934 C LYS A 63 15.322 3.449 2.399 1.00 45.15 C ATOM 935 O LYS A 63 15.264 4.006 3.505 1.00 14.52 O ATOM 936 CB LYS A 63 13.843 1.552 1.961 1.00 62.31 C ATOM 937 CG LYS A 63 13.655 0.070 1.791 1.00 62.34 C ATOM 938 CD LYS A 63 14.355 -0.461 0.550 1.00 44.43 C ATOM 939 CE LYS A 63 14.138 -1.955 0.386 1.00 23.14 C ATOM 940 NZ LYS A 63 14.855 -2.491 -0.788 1.00 23.42 N ATOM 0 H LYS A 63 14.930 1.451 4.268 1.00 14.01 H new ATOM 0 HA LYS A 63 15.935 1.610 1.509 1.00 64.51 H new ATOM 0 HB2 LYS A 63 13.182 1.903 2.753 1.00 62.31 H new ATOM 0 HB3 LYS A 63 13.536 2.054 1.044 1.00 62.31 H new ATOM 0 HG2 LYS A 63 14.039 -0.446 2.671 1.00 62.34 H new ATOM 0 HG3 LYS A 63 12.590 -0.154 1.729 1.00 62.34 H new ATOM 0 HD2 LYS A 63 13.982 0.061 -0.331 1.00 44.43 H new ATOM 0 HD3 LYS A 63 15.423 -0.252 0.616 1.00 44.43 H new ATOM 0 HE2 LYS A 63 14.476 -2.471 1.284 1.00 23.14 H new ATOM 0 HE3 LYS A 63 13.072 -2.158 0.284 1.00 23.14 H new ATOM 0 HZ1 LYS A 63 14.681 -3.513 -0.864 1.00 23.42 H new ATOM 0 HZ2 LYS A 63 14.515 -2.017 -1.649 1.00 23.42 H new ATOM 0 HZ3 LYS A 63 15.875 -2.321 -0.679 1.00 23.42 H new ATOM 954 N LYS A 64 15.456 4.082 1.295 1.00 71.35 N ATOM 955 CA LYS A 64 15.453 5.518 1.243 1.00 1.41 C ATOM 956 C LYS A 64 14.204 5.986 0.549 1.00 35.55 C ATOM 957 O LYS A 64 13.487 5.183 -0.064 1.00 42.13 O ATOM 958 CB LYS A 64 16.684 6.056 0.507 1.00 62.35 C ATOM 959 CG LYS A 64 18.021 5.728 1.160 1.00 61.30 C ATOM 960 CD LYS A 64 18.137 6.319 2.559 1.00 52.15 C ATOM 961 CE LYS A 64 19.505 6.042 3.168 1.00 2.45 C ATOM 962 NZ LYS A 64 19.639 6.612 4.528 1.00 72.41 N ATOM 0 H LYS A 64 15.572 3.628 0.389 1.00 71.35 H new ATOM 0 HA LYS A 64 15.481 5.898 2.264 1.00 1.41 H new ATOM 0 HB2 LYS A 64 16.685 5.657 -0.507 1.00 62.35 H new ATOM 0 HB3 LYS A 64 16.594 7.139 0.423 1.00 62.35 H new ATOM 0 HG2 LYS A 64 18.142 4.646 1.213 1.00 61.30 H new ATOM 0 HG3 LYS A 64 18.831 6.109 0.538 1.00 61.30 H new ATOM 0 HD2 LYS A 64 17.967 7.395 2.516 1.00 52.15 H new ATOM 0 HD3 LYS A 64 17.361 5.899 3.198 1.00 52.15 H new ATOM 0 HE2 LYS A 64 19.671 4.965 3.209 1.00 2.45 H new ATOM 0 HE3 LYS A 64 20.279 6.459 2.523 1.00 2.45 H new ATOM 0 HZ1 LYS A 64 20.586 6.399 4.902 1.00 72.41 H new ATOM 0 HZ2 LYS A 64 19.507 7.643 4.487 1.00 72.41 H new ATOM 0 HZ3 LYS A 64 18.918 6.195 5.152 1.00 72.41 H new ATOM 976 N SER A 65 13.926 7.251 0.657 1.00 61.54 N ATOM 977 CA SER A 65 12.792 7.838 -0.001 1.00 15.34 C ATOM 978 C SER A 65 12.905 7.741 -1.529 1.00 23.50 C ATOM 979 O SER A 65 13.742 8.401 -2.154 1.00 32.50 O ATOM 980 CB SER A 65 12.566 9.253 0.521 1.00 64.43 C ATOM 981 OG SER A 65 13.802 9.949 0.660 1.00 64.54 O ATOM 0 H SER A 65 14.480 7.909 1.205 1.00 61.54 H new ATOM 0 HA SER A 65 11.896 7.267 0.243 1.00 15.34 H new ATOM 0 HB2 SER A 65 11.913 9.797 -0.162 1.00 64.43 H new ATOM 0 HB3 SER A 65 12.057 9.212 1.484 1.00 64.43 H new ATOM 0 HG SER A 65 14.214 9.716 1.518 1.00 64.54 H new ATOM 987 N GLY A 66 12.057 6.901 -2.101 1.00 43.13 N ATOM 988 CA GLY A 66 12.099 6.594 -3.511 1.00 14.43 C ATOM 989 C GLY A 66 12.080 5.088 -3.720 1.00 51.34 C ATOM 990 O GLY A 66 11.961 4.596 -4.842 1.00 14.53 O ATOM 0 H GLY A 66 11.319 6.414 -1.593 1.00 43.13 H new ATOM 0 HA2 GLY A 66 11.247 7.050 -4.016 1.00 14.43 H new ATOM 0 HA3 GLY A 66 12.998 7.019 -3.957 1.00 14.43 H new ATOM 994 N GLU A 67 12.177 4.367 -2.621 1.00 62.01 N ATOM 995 CA GLU A 67 12.191 2.924 -2.601 1.00 2.42 C ATOM 996 C GLU A 67 10.982 2.423 -1.848 1.00 23.53 C ATOM 997 O GLU A 67 10.308 3.191 -1.167 1.00 52.43 O ATOM 998 CB GLU A 67 13.450 2.391 -1.937 1.00 5.42 C ATOM 999 CG GLU A 67 14.740 2.836 -2.578 1.00 2.12 C ATOM 1000 CD GLU A 67 15.929 2.198 -1.925 1.00 72.23 C ATOM 1001 OE1 GLU A 67 16.358 2.672 -0.871 1.00 3.11 O ATOM 1002 OE2 GLU A 67 16.461 1.189 -2.465 1.00 24.12 O ATOM 0 H GLU A 67 12.250 4.784 -1.693 1.00 62.01 H new ATOM 0 HA GLU A 67 12.171 2.569 -3.631 1.00 2.42 H new ATOM 0 HB2 GLU A 67 13.453 2.703 -0.893 1.00 5.42 H new ATOM 0 HB3 GLU A 67 13.414 1.302 -1.944 1.00 5.42 H new ATOM 0 HG2 GLU A 67 14.727 2.583 -3.638 1.00 2.12 H new ATOM 0 HG3 GLU A 67 14.825 3.921 -2.511 1.00 2.12 H new ATOM 1009 N VAL A 68 10.677 1.168 -2.001 1.00 41.14 N ATOM 1010 CA VAL A 68 9.536 0.600 -1.330 1.00 32.33 C ATOM 1011 C VAL A 68 9.972 -0.552 -0.411 1.00 74.00 C ATOM 1012 O VAL A 68 10.798 -1.401 -0.783 1.00 55.24 O ATOM 1013 CB VAL A 68 8.454 0.102 -2.349 1.00 22.22 C ATOM 1014 CG1 VAL A 68 8.949 -1.063 -3.187 1.00 3.02 C ATOM 1015 CG2 VAL A 68 7.167 -0.265 -1.654 1.00 3.44 C ATOM 0 H VAL A 68 11.200 0.515 -2.584 1.00 41.14 H new ATOM 0 HA VAL A 68 9.085 1.387 -0.725 1.00 32.33 H new ATOM 0 HB VAL A 68 8.258 0.937 -3.022 1.00 22.22 H new ATOM 0 HG11 VAL A 68 8.165 -1.373 -3.878 1.00 3.02 H new ATOM 0 HG12 VAL A 68 9.830 -0.757 -3.751 1.00 3.02 H new ATOM 0 HG13 VAL A 68 9.208 -1.897 -2.534 1.00 3.02 H new ATOM 0 HG21 VAL A 68 6.440 -0.606 -2.391 1.00 3.44 H new ATOM 0 HG22 VAL A 68 7.356 -1.062 -0.935 1.00 3.44 H new ATOM 0 HG23 VAL A 68 6.773 0.608 -1.133 1.00 3.44 H new ATOM 1025 N ALA A 69 9.455 -0.544 0.785 1.00 44.12 N ATOM 1026 CA ALA A 69 9.701 -1.594 1.732 1.00 23.04 C ATOM 1027 C ALA A 69 8.495 -2.510 1.724 1.00 74.10 C ATOM 1028 O ALA A 69 7.361 -2.046 1.816 1.00 72.23 O ATOM 1029 CB ALA A 69 9.941 -1.014 3.116 1.00 43.22 C ATOM 0 H ALA A 69 8.846 0.197 1.133 1.00 44.12 H new ATOM 0 HA ALA A 69 10.595 -2.155 1.461 1.00 23.04 H new ATOM 0 HB1 ALA A 69 10.126 -1.823 3.823 1.00 43.22 H new ATOM 0 HB2 ALA A 69 10.806 -0.352 3.088 1.00 43.22 H new ATOM 0 HB3 ALA A 69 9.063 -0.450 3.432 1.00 43.22 H new ATOM 1035 N VAL A 70 8.717 -3.786 1.594 1.00 54.23 N ATOM 1036 CA VAL A 70 7.617 -4.716 1.466 1.00 32.15 C ATOM 1037 C VAL A 70 7.607 -5.694 2.638 1.00 53.43 C ATOM 1038 O VAL A 70 8.670 -6.132 3.092 1.00 3.14 O ATOM 1039 CB VAL A 70 7.723 -5.531 0.135 1.00 74.43 C ATOM 1040 CG1 VAL A 70 6.507 -6.417 -0.070 1.00 42.41 C ATOM 1041 CG2 VAL A 70 7.946 -4.625 -1.080 1.00 2.53 C ATOM 0 H VAL A 70 9.644 -4.212 1.573 1.00 54.23 H new ATOM 0 HA VAL A 70 6.695 -4.134 1.460 1.00 32.15 H new ATOM 0 HB VAL A 70 8.599 -6.172 0.229 1.00 74.43 H new ATOM 0 HG11 VAL A 70 6.613 -6.969 -1.004 1.00 42.41 H new ATOM 0 HG12 VAL A 70 6.424 -7.119 0.760 1.00 42.41 H new ATOM 0 HG13 VAL A 70 5.610 -5.799 -0.113 1.00 42.41 H new ATOM 0 HG21 VAL A 70 8.013 -5.235 -1.981 1.00 2.53 H new ATOM 0 HG22 VAL A 70 7.112 -3.930 -1.174 1.00 2.53 H new ATOM 0 HG23 VAL A 70 8.872 -4.065 -0.951 1.00 2.53 H new ATOM 1051 N LEU A 71 6.424 -6.012 3.129 1.00 63.33 N ATOM 1052 CA LEU A 71 6.256 -7.016 4.172 1.00 12.05 C ATOM 1053 C LEU A 71 5.384 -8.137 3.665 1.00 33.43 C ATOM 1054 O LEU A 71 4.268 -7.903 3.195 1.00 3.31 O ATOM 1055 CB LEU A 71 5.624 -6.439 5.453 1.00 61.01 C ATOM 1056 CG LEU A 71 6.410 -5.355 6.191 1.00 2.03 C ATOM 1057 CD1 LEU A 71 5.709 -4.985 7.491 1.00 25.11 C ATOM 1058 CD2 LEU A 71 7.833 -5.811 6.465 1.00 54.32 C ATOM 0 H LEU A 71 5.551 -5.584 2.819 1.00 63.33 H new ATOM 0 HA LEU A 71 7.252 -7.381 4.423 1.00 12.05 H new ATOM 0 HB2 LEU A 71 4.647 -6.031 5.194 1.00 61.01 H new ATOM 0 HB3 LEU A 71 5.452 -7.263 6.146 1.00 61.01 H new ATOM 0 HG LEU A 71 6.454 -4.471 5.555 1.00 2.03 H new ATOM 0 HD11 LEU A 71 6.280 -4.212 8.005 1.00 25.11 H new ATOM 0 HD12 LEU A 71 4.709 -4.611 7.271 1.00 25.11 H new ATOM 0 HD13 LEU A 71 5.635 -5.866 8.128 1.00 25.11 H new ATOM 0 HD21 LEU A 71 8.373 -5.023 6.991 1.00 54.32 H new ATOM 0 HD22 LEU A 71 7.815 -6.711 7.080 1.00 54.32 H new ATOM 0 HD23 LEU A 71 8.334 -6.026 5.521 1.00 54.32 H new ATOM 1070 N LYS A 72 5.877 -9.334 3.744 1.00 53.45 N ATOM 1071 CA LYS A 72 5.126 -10.480 3.327 1.00 31.13 C ATOM 1072 C LYS A 72 4.600 -11.194 4.526 1.00 10.02 C ATOM 1073 O LYS A 72 5.345 -11.520 5.457 1.00 42.31 O ATOM 1074 CB LYS A 72 5.990 -11.422 2.520 1.00 54.14 C ATOM 1075 CG LYS A 72 5.286 -12.687 2.036 1.00 12.33 C ATOM 1076 CD LYS A 72 6.250 -13.569 1.264 1.00 71.25 C ATOM 1077 CE LYS A 72 5.584 -14.835 0.759 1.00 41.50 C ATOM 1078 NZ LYS A 72 6.531 -15.683 -0.002 1.00 12.44 N ATOM 0 H LYS A 72 6.810 -9.545 4.099 1.00 53.45 H new ATOM 0 HA LYS A 72 4.299 -10.144 2.702 1.00 31.13 H new ATOM 0 HB2 LYS A 72 6.376 -10.885 1.654 1.00 54.14 H new ATOM 0 HB3 LYS A 72 6.849 -11.711 3.125 1.00 54.14 H new ATOM 0 HG2 LYS A 72 4.885 -13.236 2.888 1.00 12.33 H new ATOM 0 HG3 LYS A 72 4.441 -12.420 1.402 1.00 12.33 H new ATOM 0 HD2 LYS A 72 6.655 -13.011 0.420 1.00 71.25 H new ATOM 0 HD3 LYS A 72 7.092 -13.833 1.904 1.00 71.25 H new ATOM 0 HE2 LYS A 72 5.187 -15.399 1.603 1.00 41.50 H new ATOM 0 HE3 LYS A 72 4.738 -14.573 0.124 1.00 41.50 H new ATOM 0 HZ1 LYS A 72 6.042 -16.539 -0.332 1.00 12.44 H new ATOM 0 HZ2 LYS A 72 6.891 -15.153 -0.821 1.00 12.44 H new ATOM 0 HZ3 LYS A 72 7.326 -15.953 0.612 1.00 12.44 H new ATOM 1092 N ARG A 73 3.341 -11.426 4.535 1.00 64.21 N ATOM 1093 CA ARG A 73 2.740 -12.162 5.617 1.00 51.43 C ATOM 1094 C ARG A 73 2.323 -13.493 5.041 1.00 51.13 C ATOM 1095 O ARG A 73 2.937 -14.520 5.312 1.00 44.33 O ATOM 1096 CB ARG A 73 1.526 -11.420 6.203 1.00 42.32 C ATOM 1097 CG ARG A 73 1.772 -9.985 6.731 1.00 35.31 C ATOM 1098 CD ARG A 73 2.757 -9.882 7.925 1.00 65.14 C ATOM 1099 NE ARG A 73 4.171 -10.094 7.561 1.00 74.53 N ATOM 1100 CZ ARG A 73 5.222 -9.490 8.169 1.00 14.11 C ATOM 1101 NH1 ARG A 73 5.033 -8.652 9.186 1.00 5.43 N ATOM 1102 NH2 ARG A 73 6.454 -9.730 7.755 1.00 13.11 N ATOM 0 H ARG A 73 2.692 -11.122 3.809 1.00 64.21 H new ATOM 0 HA ARG A 73 3.447 -12.283 6.438 1.00 51.43 H new ATOM 0 HB2 ARG A 73 0.754 -11.371 5.435 1.00 42.32 H new ATOM 0 HB3 ARG A 73 1.124 -12.019 7.021 1.00 42.32 H new ATOM 0 HG2 ARG A 73 2.153 -9.374 5.913 1.00 35.31 H new ATOM 0 HG3 ARG A 73 0.816 -9.556 7.031 1.00 35.31 H new ATOM 0 HD2 ARG A 73 2.655 -8.898 8.382 1.00 65.14 H new ATOM 0 HD3 ARG A 73 2.474 -10.615 8.680 1.00 65.14 H new ATOM 0 HE ARG A 73 4.372 -10.741 6.798 1.00 74.53 H new ATOM 0 HH11 ARG A 73 4.088 -8.457 9.517 1.00 5.43 H new ATOM 0 HH12 ARG A 73 5.833 -8.205 9.634 1.00 5.43 H new ATOM 0 HH21 ARG A 73 6.615 -10.370 6.977 1.00 13.11 H new ATOM 0 HH22 ARG A 73 7.244 -9.275 8.213 1.00 13.11 H new ATOM 1116 N ASP A 74 1.304 -13.432 4.206 1.00 34.41 N ATOM 1117 CA ASP A 74 0.803 -14.542 3.411 1.00 41.22 C ATOM 1118 C ASP A 74 -0.397 -14.069 2.668 1.00 44.22 C ATOM 1119 O ASP A 74 -1.270 -13.428 3.253 1.00 11.10 O ATOM 1120 CB ASP A 74 0.426 -15.781 4.235 1.00 14.23 C ATOM 1121 CG ASP A 74 -0.103 -16.896 3.347 1.00 61.31 C ATOM 1122 OD1 ASP A 74 0.695 -17.514 2.610 1.00 61.12 O ATOM 1123 OD2 ASP A 74 -1.326 -17.140 3.344 1.00 25.43 O ATOM 0 H ASP A 74 0.778 -12.571 4.055 1.00 34.41 H new ATOM 0 HA ASP A 74 1.608 -14.854 2.746 1.00 41.22 H new ATOM 0 HB2 ASP A 74 1.299 -16.134 4.784 1.00 14.23 H new ATOM 0 HB3 ASP A 74 -0.329 -15.513 4.974 1.00 14.23 H new ATOM 1128 N GLY A 75 -0.431 -14.315 1.395 1.00 32.21 N ATOM 1129 CA GLY A 75 -1.564 -13.916 0.604 1.00 22.31 C ATOM 1130 C GLY A 75 -1.388 -12.536 0.026 1.00 61.24 C ATOM 1131 O GLY A 75 -1.637 -12.317 -1.161 1.00 72.32 O ATOM 0 H GLY A 75 0.309 -14.789 0.878 1.00 32.21 H new ATOM 0 HA2 GLY A 75 -1.712 -14.632 -0.204 1.00 22.31 H new ATOM 0 HA3 GLY A 75 -2.463 -13.940 1.220 1.00 22.31 H new ATOM 1135 N ARG A 76 -0.930 -11.611 0.843 1.00 20.04 N ATOM 1136 CA ARG A 76 -0.748 -10.260 0.416 1.00 44.22 C ATOM 1137 C ARG A 76 0.584 -9.716 0.871 1.00 63.14 C ATOM 1138 O ARG A 76 1.141 -10.147 1.904 1.00 73.31 O ATOM 1139 CB ARG A 76 -1.883 -9.360 0.925 1.00 74.25 C ATOM 1140 CG ARG A 76 -2.128 -9.469 2.416 1.00 62.34 C ATOM 1141 CD ARG A 76 -3.098 -8.415 2.924 1.00 43.01 C ATOM 1142 NE ARG A 76 -4.404 -8.394 2.223 1.00 2.20 N ATOM 1143 CZ ARG A 76 -5.608 -8.294 2.848 1.00 61.41 C ATOM 1144 NH1 ARG A 76 -5.706 -8.491 4.163 1.00 42.20 N ATOM 1145 NH2 ARG A 76 -6.707 -8.062 2.150 1.00 63.53 N ATOM 0 H ARG A 76 -0.677 -11.784 1.816 1.00 20.04 H new ATOM 0 HA ARG A 76 -0.767 -10.261 -0.674 1.00 44.22 H new ATOM 0 HB2 ARG A 76 -1.650 -8.324 0.679 1.00 74.25 H new ATOM 0 HB3 ARG A 76 -2.801 -9.615 0.396 1.00 74.25 H new ATOM 0 HG2 ARG A 76 -2.520 -10.460 2.645 1.00 62.34 H new ATOM 0 HG3 ARG A 76 -1.180 -9.371 2.945 1.00 62.34 H new ATOM 0 HD2 ARG A 76 -3.273 -8.582 3.987 1.00 43.01 H new ATOM 0 HD3 ARG A 76 -2.632 -7.434 2.828 1.00 43.01 H new ATOM 0 HE ARG A 76 -4.399 -8.459 1.205 1.00 2.20 H new ATOM 0 HH11 ARG A 76 -4.874 -8.719 4.708 1.00 42.20 H new ATOM 0 HH12 ARG A 76 -6.613 -8.414 4.624 1.00 42.20 H new ATOM 0 HH21 ARG A 76 -6.655 -7.957 1.137 1.00 63.53 H new ATOM 0 HH22 ARG A 76 -7.607 -7.988 2.625 1.00 63.53 H new ATOM 1159 N TYR A 77 1.089 -8.803 0.100 1.00 12.32 N ATOM 1160 CA TYR A 77 2.305 -8.099 0.399 1.00 42.43 C ATOM 1161 C TYR A 77 1.951 -6.695 0.818 1.00 31.52 C ATOM 1162 O TYR A 77 1.035 -6.085 0.252 1.00 3.24 O ATOM 1163 CB TYR A 77 3.240 -8.079 -0.824 1.00 34.03 C ATOM 1164 CG TYR A 77 3.813 -9.434 -1.191 1.00 12.44 C ATOM 1165 CD1 TYR A 77 3.081 -10.366 -1.922 1.00 53.03 C ATOM 1166 CD2 TYR A 77 5.094 -9.784 -0.790 1.00 74.10 C ATOM 1167 CE1 TYR A 77 3.617 -11.603 -2.240 1.00 5.43 C ATOM 1168 CE2 TYR A 77 5.632 -11.009 -1.102 1.00 73.50 C ATOM 1169 CZ TYR A 77 4.895 -11.918 -1.821 1.00 24.23 C ATOM 1170 OH TYR A 77 5.439 -13.151 -2.126 1.00 33.54 O ATOM 0 H TYR A 77 0.658 -8.517 -0.779 1.00 12.32 H new ATOM 0 HA TYR A 77 2.833 -8.606 1.207 1.00 42.43 H new ATOM 0 HB2 TYR A 77 2.692 -7.685 -1.680 1.00 34.03 H new ATOM 0 HB3 TYR A 77 4.062 -7.391 -0.628 1.00 34.03 H new ATOM 0 HD1 TYR A 77 2.080 -10.121 -2.246 1.00 53.03 H new ATOM 0 HD2 TYR A 77 5.681 -9.079 -0.220 1.00 74.10 H new ATOM 0 HE1 TYR A 77 3.040 -12.316 -2.811 1.00 5.43 H new ATOM 0 HE2 TYR A 77 6.633 -11.257 -0.782 1.00 73.50 H new ATOM 0 HH TYR A 77 5.998 -13.073 -2.927 1.00 33.54 H new ATOM 1180 N ILE A 78 2.615 -6.197 1.815 1.00 44.34 N ATOM 1181 CA ILE A 78 2.343 -4.870 2.281 1.00 41.33 C ATOM 1182 C ILE A 78 3.412 -3.951 1.720 1.00 74.51 C ATOM 1183 O ILE A 78 4.602 -4.187 1.924 1.00 63.53 O ATOM 1184 CB ILE A 78 2.390 -4.778 3.829 1.00 63.13 C ATOM 1185 CG1 ILE A 78 1.615 -5.936 4.496 1.00 65.31 C ATOM 1186 CG2 ILE A 78 1.801 -3.445 4.273 1.00 32.40 C ATOM 1187 CD1 ILE A 78 0.152 -6.015 4.137 1.00 5.15 C ATOM 0 H ILE A 78 3.350 -6.689 2.323 1.00 44.34 H new ATOM 0 HA ILE A 78 1.343 -4.587 1.953 1.00 41.33 H new ATOM 0 HB ILE A 78 3.432 -4.853 4.140 1.00 63.13 H new ATOM 0 HG12 ILE A 78 2.092 -6.877 4.223 1.00 65.31 H new ATOM 0 HG13 ILE A 78 1.703 -5.836 5.578 1.00 65.31 H new ATOM 0 HG21 ILE A 78 1.833 -3.377 5.360 1.00 32.40 H new ATOM 0 HG22 ILE A 78 2.381 -2.629 3.842 1.00 32.40 H new ATOM 0 HG23 ILE A 78 0.767 -3.373 3.935 1.00 32.40 H new ATOM 0 HD11 ILE A 78 -0.304 -6.859 4.654 1.00 5.15 H new ATOM 0 HD12 ILE A 78 -0.346 -5.093 4.437 1.00 5.15 H new ATOM 0 HD13 ILE A 78 0.048 -6.150 3.060 1.00 5.15 H new ATOM 1199 N TYR A 79 2.998 -2.940 1.022 1.00 44.32 N ATOM 1200 CA TYR A 79 3.898 -2.003 0.420 1.00 74.33 C ATOM 1201 C TYR A 79 3.979 -0.731 1.193 1.00 42.22 C ATOM 1202 O TYR A 79 2.990 0.002 1.350 1.00 14.53 O ATOM 1203 CB TYR A 79 3.510 -1.703 -1.019 1.00 23.03 C ATOM 1204 CG TYR A 79 3.647 -2.875 -1.928 1.00 53.03 C ATOM 1205 CD1 TYR A 79 2.607 -3.773 -2.115 1.00 23.10 C ATOM 1206 CD2 TYR A 79 4.827 -3.093 -2.591 1.00 60.20 C ATOM 1207 CE1 TYR A 79 2.758 -4.857 -2.941 1.00 55.01 C ATOM 1208 CE2 TYR A 79 4.986 -4.158 -3.417 1.00 51.43 C ATOM 1209 CZ TYR A 79 3.955 -5.044 -3.591 1.00 33.31 C ATOM 1210 OH TYR A 79 4.140 -6.131 -4.414 1.00 51.45 O ATOM 0 H TYR A 79 2.013 -2.738 0.851 1.00 44.32 H new ATOM 0 HA TYR A 79 4.881 -2.473 0.429 1.00 74.33 H new ATOM 0 HB2 TYR A 79 2.478 -1.353 -1.043 1.00 23.03 H new ATOM 0 HB3 TYR A 79 4.131 -0.889 -1.392 1.00 23.03 H new ATOM 0 HD1 TYR A 79 1.668 -3.617 -1.605 1.00 23.10 H new ATOM 0 HD2 TYR A 79 5.647 -2.403 -2.453 1.00 60.20 H new ATOM 0 HE1 TYR A 79 1.946 -5.556 -3.079 1.00 55.01 H new ATOM 0 HE2 TYR A 79 5.922 -4.307 -3.935 1.00 51.43 H new ATOM 0 HH TYR A 79 3.765 -5.939 -5.299 1.00 51.45 H new ATOM 1220 N TYR A 80 5.130 -0.478 1.689 1.00 62.21 N ATOM 1221 CA TYR A 80 5.418 0.732 2.346 1.00 71.32 C ATOM 1222 C TYR A 80 6.238 1.573 1.424 1.00 62.14 C ATOM 1223 O TYR A 80 7.453 1.382 1.295 1.00 1.31 O ATOM 1224 CB TYR A 80 6.155 0.497 3.650 1.00 62.43 C ATOM 1225 CG TYR A 80 5.355 -0.215 4.705 1.00 25.42 C ATOM 1226 CD1 TYR A 80 5.268 -1.592 4.724 1.00 24.21 C ATOM 1227 CD2 TYR A 80 4.695 0.496 5.694 1.00 12.13 C ATOM 1228 CE1 TYR A 80 4.547 -2.241 5.693 1.00 24.52 C ATOM 1229 CE2 TYR A 80 3.971 -0.150 6.672 1.00 54.21 C ATOM 1230 CZ TYR A 80 3.901 -1.519 6.666 1.00 2.52 C ATOM 1231 OH TYR A 80 3.179 -2.170 7.633 1.00 75.31 O ATOM 0 H TYR A 80 5.917 -1.126 1.647 1.00 62.21 H new ATOM 0 HA TYR A 80 4.486 1.239 2.598 1.00 71.32 H new ATOM 0 HB2 TYR A 80 7.055 -0.082 3.443 1.00 62.43 H new ATOM 0 HB3 TYR A 80 6.479 1.459 4.047 1.00 62.43 H new ATOM 0 HD1 TYR A 80 5.776 -2.167 3.964 1.00 24.21 H new ATOM 0 HD2 TYR A 80 4.749 1.575 5.698 1.00 12.13 H new ATOM 0 HE1 TYR A 80 4.487 -3.319 5.691 1.00 24.52 H new ATOM 0 HE2 TYR A 80 3.463 0.418 7.437 1.00 54.21 H new ATOM 0 HH TYR A 80 2.222 -2.080 7.443 1.00 75.31 H new ATOM 1241 N LEU A 81 5.570 2.440 0.730 1.00 53.04 N ATOM 1242 CA LEU A 81 6.197 3.329 -0.189 1.00 52.40 C ATOM 1243 C LEU A 81 6.964 4.327 0.621 1.00 63.43 C ATOM 1244 O LEU A 81 6.377 5.055 1.430 1.00 31.05 O ATOM 1245 CB LEU A 81 5.107 4.059 -0.996 1.00 40.24 C ATOM 1246 CG LEU A 81 4.133 3.179 -1.796 1.00 70.04 C ATOM 1247 CD1 LEU A 81 3.102 4.040 -2.504 1.00 2.23 C ATOM 1248 CD2 LEU A 81 4.871 2.305 -2.797 1.00 1.11 C ATOM 0 H LEU A 81 4.558 2.550 0.789 1.00 53.04 H new ATOM 0 HA LEU A 81 6.855 2.795 -0.875 1.00 52.40 H new ATOM 0 HB2 LEU A 81 4.525 4.670 -0.306 1.00 40.24 H new ATOM 0 HB3 LEU A 81 5.597 4.741 -1.690 1.00 40.24 H new ATOM 0 HG LEU A 81 3.621 2.522 -1.093 1.00 70.04 H new ATOM 0 HD11 LEU A 81 2.420 3.402 -3.066 1.00 2.23 H new ATOM 0 HD12 LEU A 81 2.539 4.613 -1.767 1.00 2.23 H new ATOM 0 HD13 LEU A 81 3.606 4.723 -3.187 1.00 2.23 H new ATOM 0 HD21 LEU A 81 4.154 1.695 -3.346 1.00 1.11 H new ATOM 0 HD22 LEU A 81 5.420 2.936 -3.495 1.00 1.11 H new ATOM 0 HD23 LEU A 81 5.569 1.656 -2.268 1.00 1.11 H new ATOM 1260 N ILE A 82 8.250 4.370 0.453 1.00 75.14 N ATOM 1261 CA ILE A 82 9.021 5.311 1.188 1.00 4.11 C ATOM 1262 C ILE A 82 9.010 6.586 0.399 1.00 71.31 C ATOM 1263 O ILE A 82 9.754 6.741 -0.568 1.00 31.54 O ATOM 1264 CB ILE A 82 10.473 4.859 1.407 1.00 22.20 C ATOM 1265 CG1 ILE A 82 10.553 3.447 2.031 1.00 50.02 C ATOM 1266 CG2 ILE A 82 11.143 5.844 2.316 1.00 72.45 C ATOM 1267 CD1 ILE A 82 9.965 3.329 3.423 1.00 63.41 C ATOM 0 H ILE A 82 8.779 3.770 -0.180 1.00 75.14 H new ATOM 0 HA ILE A 82 8.586 5.428 2.180 1.00 4.11 H new ATOM 0 HB ILE A 82 10.971 4.816 0.438 1.00 22.20 H new ATOM 0 HG12 ILE A 82 10.038 2.746 1.374 1.00 50.02 H new ATOM 0 HG13 ILE A 82 11.598 3.140 2.067 1.00 50.02 H new ATOM 0 HG21 ILE A 82 12.176 5.540 2.484 1.00 72.45 H new ATOM 0 HG22 ILE A 82 11.126 6.833 1.857 1.00 72.45 H new ATOM 0 HG23 ILE A 82 10.615 5.877 3.269 1.00 72.45 H new ATOM 0 HD11 ILE A 82 10.068 2.303 3.776 1.00 63.41 H new ATOM 0 HD12 ILE A 82 10.494 4.000 4.100 1.00 63.41 H new ATOM 0 HD13 ILE A 82 8.909 3.599 3.396 1.00 63.41 H new ATOM 1279 N THR A 83 8.139 7.461 0.763 1.00 64.00 N ATOM 1280 CA THR A 83 7.917 8.630 0.008 1.00 11.25 C ATOM 1281 C THR A 83 8.764 9.808 0.501 1.00 22.23 C ATOM 1282 O THR A 83 9.196 10.641 -0.295 1.00 35.01 O ATOM 1283 CB THR A 83 6.440 8.979 0.089 1.00 12.24 C ATOM 1284 OG1 THR A 83 5.694 7.772 -0.070 1.00 62.30 O ATOM 1285 CG2 THR A 83 6.063 9.891 -1.034 1.00 50.01 C ATOM 0 H THR A 83 7.560 7.379 1.599 1.00 64.00 H new ATOM 0 HA THR A 83 8.213 8.439 -1.023 1.00 11.25 H new ATOM 0 HB THR A 83 6.235 9.464 1.043 1.00 12.24 H new ATOM 0 HG1 THR A 83 4.907 7.945 -0.627 1.00 62.30 H new ATOM 0 HG21 THR A 83 5.003 10.134 -0.965 1.00 50.01 H new ATOM 0 HG22 THR A 83 6.650 10.807 -0.971 1.00 50.01 H new ATOM 0 HG23 THR A 83 6.261 9.398 -1.986 1.00 50.01 H new ATOM 1293 N LYS A 84 9.025 9.879 1.793 1.00 64.14 N ATOM 1294 CA LYS A 84 9.748 10.983 2.305 1.00 2.01 C ATOM 1295 C LYS A 84 10.757 10.535 3.350 1.00 44.32 C ATOM 1296 O LYS A 84 10.619 9.451 3.909 1.00 21.34 O ATOM 1297 CB LYS A 84 8.795 12.038 2.869 1.00 43.50 C ATOM 1298 CG LYS A 84 7.927 11.635 4.093 1.00 2.54 C ATOM 1299 CD LYS A 84 6.784 10.673 3.778 1.00 72.14 C ATOM 1300 CE LYS A 84 5.937 10.394 5.032 1.00 1.51 C ATOM 1301 NZ LYS A 84 5.281 11.621 5.577 1.00 33.44 N ATOM 0 H LYS A 84 8.743 9.184 2.485 1.00 64.14 H new ATOM 0 HA LYS A 84 10.303 11.438 1.485 1.00 2.01 H new ATOM 0 HB2 LYS A 84 9.385 12.911 3.147 1.00 43.50 H new ATOM 0 HB3 LYS A 84 8.124 12.349 2.068 1.00 43.50 H new ATOM 0 HG2 LYS A 84 8.572 11.178 4.843 1.00 2.54 H new ATOM 0 HG3 LYS A 84 7.511 12.538 4.539 1.00 2.54 H new ATOM 0 HD2 LYS A 84 6.154 11.095 2.996 1.00 72.14 H new ATOM 0 HD3 LYS A 84 7.188 9.737 3.392 1.00 72.14 H new ATOM 0 HE2 LYS A 84 5.172 9.656 4.790 1.00 1.51 H new ATOM 0 HE3 LYS A 84 6.571 9.955 5.802 1.00 1.51 H new ATOM 0 HZ1 LYS A 84 5.643 11.813 6.533 1.00 33.44 H new ATOM 0 HZ2 LYS A 84 5.491 12.431 4.959 1.00 33.44 H new ATOM 0 HZ3 LYS A 84 4.252 11.475 5.619 1.00 33.44 H new ATOM 1315 N LYS A 85 11.773 11.366 3.597 1.00 41.14 N ATOM 1316 CA LYS A 85 12.819 11.042 4.567 1.00 52.34 C ATOM 1317 C LYS A 85 12.259 10.986 6.000 1.00 50.43 C ATOM 1318 O LYS A 85 12.001 9.911 6.542 1.00 13.30 O ATOM 1319 CB LYS A 85 13.990 12.048 4.512 1.00 3.24 C ATOM 1320 CG LYS A 85 14.702 12.129 3.179 1.00 43.23 C ATOM 1321 CD LYS A 85 15.891 13.077 3.242 1.00 2.14 C ATOM 1322 CE LYS A 85 16.590 13.174 1.895 1.00 75.21 C ATOM 1323 NZ LYS A 85 17.728 14.114 1.923 1.00 45.53 N ATOM 0 H LYS A 85 11.892 12.269 3.137 1.00 41.14 H new ATOM 0 HA LYS A 85 13.197 10.057 4.294 1.00 52.34 H new ATOM 0 HB2 LYS A 85 13.611 13.038 4.765 1.00 3.24 H new ATOM 0 HB3 LYS A 85 14.716 11.779 5.279 1.00 3.24 H new ATOM 0 HG2 LYS A 85 15.042 11.136 2.885 1.00 43.23 H new ATOM 0 HG3 LYS A 85 14.005 12.467 2.412 1.00 43.23 H new ATOM 0 HD2 LYS A 85 15.554 14.066 3.552 1.00 2.14 H new ATOM 0 HD3 LYS A 85 16.597 12.730 3.997 1.00 2.14 H new ATOM 0 HE2 LYS A 85 16.944 12.186 1.600 1.00 75.21 H new ATOM 0 HE3 LYS A 85 15.874 13.495 1.139 1.00 75.21 H new ATOM 0 HZ1 LYS A 85 18.174 14.148 0.984 1.00 45.53 H new ATOM 0 HZ2 LYS A 85 17.388 15.063 2.179 1.00 45.53 H new ATOM 0 HZ3 LYS A 85 18.425 13.795 2.626 1.00 45.53 H new ATOM 1337 N ARG A 86 12.052 12.155 6.590 1.00 15.44 N ATOM 1338 CA ARG A 86 11.526 12.254 7.951 1.00 44.44 C ATOM 1339 C ARG A 86 10.031 12.111 7.933 1.00 75.33 C ATOM 1340 O ARG A 86 9.412 12.229 6.877 1.00 62.13 O ATOM 1341 CB ARG A 86 11.893 13.595 8.587 1.00 2.13 C ATOM 1342 CG ARG A 86 13.373 13.868 8.666 1.00 33.00 C ATOM 1343 CD ARG A 86 14.054 12.825 9.498 1.00 15.21 C ATOM 1344 NE ARG A 86 15.493 13.056 9.594 1.00 11.24 N ATOM 1345 CZ ARG A 86 16.377 12.236 10.176 1.00 61.45 C ATOM 1346 NH1 ARG A 86 15.982 11.086 10.727 1.00 73.04 N ATOM 1347 NH2 ARG A 86 17.660 12.567 10.202 1.00 30.43 N ATOM 0 H ARG A 86 12.240 13.054 6.147 1.00 15.44 H new ATOM 0 HA ARG A 86 11.970 11.453 8.542 1.00 44.44 H new ATOM 0 HB2 ARG A 86 11.419 14.394 8.017 1.00 2.13 H new ATOM 0 HB3 ARG A 86 11.476 13.631 9.593 1.00 2.13 H new ATOM 0 HG2 ARG A 86 13.801 13.879 7.664 1.00 33.00 H new ATOM 0 HG3 ARG A 86 13.545 14.855 9.097 1.00 33.00 H new ATOM 0 HD2 ARG A 86 13.620 12.819 10.498 1.00 15.21 H new ATOM 0 HD3 ARG A 86 13.873 11.841 9.066 1.00 15.21 H new ATOM 0 HE ARG A 86 15.856 13.916 9.182 1.00 11.24 H new ATOM 0 HH11 ARG A 86 14.997 10.823 10.708 1.00 73.04 H new ATOM 0 HH12 ARG A 86 16.666 10.470 11.167 1.00 73.04 H new ATOM 0 HH21 ARG A 86 17.969 13.443 9.780 1.00 30.43 H new ATOM 0 HH22 ARG A 86 18.338 11.946 10.644 1.00 30.43 H new ATOM 1361 N ALA A 87 9.447 11.893 9.086 1.00 30.23 N ATOM 1362 CA ALA A 87 8.018 11.681 9.190 1.00 51.43 C ATOM 1363 C ALA A 87 7.216 12.924 8.804 1.00 20.34 C ATOM 1364 O ALA A 87 6.161 12.813 8.179 1.00 34.40 O ATOM 1365 CB ALA A 87 7.671 11.248 10.591 1.00 60.31 C ATOM 0 H ALA A 87 9.943 11.857 9.977 1.00 30.23 H new ATOM 0 HA ALA A 87 7.747 10.896 8.483 1.00 51.43 H new ATOM 0 HB1 ALA A 87 6.595 11.089 10.667 1.00 60.31 H new ATOM 0 HB2 ALA A 87 8.192 10.320 10.825 1.00 60.31 H new ATOM 0 HB3 ALA A 87 7.974 12.022 11.297 1.00 60.31 H new ATOM 1371 N SER A 88 7.754 14.101 9.103 1.00 41.30 N ATOM 1372 CA SER A 88 7.062 15.340 8.792 1.00 2.31 C ATOM 1373 C SER A 88 7.396 15.802 7.367 1.00 14.51 C ATOM 1374 O SER A 88 6.945 16.865 6.908 1.00 72.22 O ATOM 1375 CB SER A 88 7.407 16.424 9.829 1.00 54.41 C ATOM 1376 OG SER A 88 6.662 17.614 9.634 1.00 1.23 O ATOM 0 H SER A 88 8.660 14.220 9.557 1.00 41.30 H new ATOM 0 HA SER A 88 5.988 15.162 8.840 1.00 2.31 H new ATOM 0 HB2 SER A 88 7.216 16.039 10.831 1.00 54.41 H new ATOM 0 HB3 SER A 88 8.472 16.651 9.773 1.00 54.41 H new ATOM 0 HG SER A 88 6.556 17.780 8.674 1.00 1.23 H new ATOM 1382 N HIS A 89 8.183 15.001 6.646 1.00 52.44 N ATOM 1383 CA HIS A 89 8.449 15.336 5.280 1.00 32.32 C ATOM 1384 C HIS A 89 7.238 15.125 4.464 1.00 42.24 C ATOM 1385 O HIS A 89 6.455 14.186 4.687 1.00 12.42 O ATOM 1386 CB HIS A 89 9.652 14.621 4.657 1.00 11.22 C ATOM 1387 CG HIS A 89 10.972 15.191 5.021 1.00 2.25 C ATOM 1388 ND1 HIS A 89 11.370 15.797 6.133 1.00 63.43 N flip ATOM 1389 CD2 HIS A 89 12.077 15.138 4.200 1.00 63.34 C flip ATOM 1390 CE1 HIS A 89 12.694 16.103 5.990 1.00 10.44 C flip ATOM 1391 NE2 HIS A 89 13.096 15.688 4.810 1.00 53.22 N flip ATOM 0 H HIS A 89 8.626 14.148 6.986 1.00 52.44 H new ATOM 0 HA HIS A 89 8.725 16.390 5.287 1.00 32.32 H new ATOM 0 HB2 HIS A 89 9.629 13.573 4.957 1.00 11.22 H new ATOM 0 HB3 HIS A 89 9.549 14.644 3.572 1.00 11.22 H new ATOM 0 HD2 HIS A 89 12.099 14.710 3.209 1.00 63.34 H new ATOM 0 HE1 HIS A 89 13.308 16.603 6.725 1.00 10.44 H new ATOM 0 HE2 HIS A 89 14.040 15.779 4.434 1.00 53.22 H new ATOM 1400 N LYS A 90 7.074 15.980 3.572 1.00 12.00 N ATOM 1401 CA LYS A 90 5.946 15.966 2.705 1.00 71.03 C ATOM 1402 C LYS A 90 6.285 15.399 1.347 1.00 53.51 C ATOM 1403 O LYS A 90 7.325 15.724 0.764 1.00 5.00 O ATOM 1404 CB LYS A 90 5.309 17.340 2.660 1.00 44.22 C ATOM 1405 CG LYS A 90 4.571 17.659 3.960 1.00 20.15 C ATOM 1406 CD LYS A 90 4.252 19.127 4.098 1.00 30.21 C ATOM 1407 CE LYS A 90 5.512 19.924 4.381 1.00 12.02 C ATOM 1408 NZ LYS A 90 6.139 19.516 5.675 1.00 73.43 N ATOM 0 H LYS A 90 7.725 16.745 3.396 1.00 12.00 H new ATOM 0 HA LYS A 90 5.195 15.285 3.107 1.00 71.03 H new ATOM 0 HB2 LYS A 90 6.077 18.093 2.483 1.00 44.22 H new ATOM 0 HB3 LYS A 90 4.613 17.392 1.823 1.00 44.22 H new ATOM 0 HG2 LYS A 90 3.646 17.084 3.999 1.00 20.15 H new ATOM 0 HG3 LYS A 90 5.180 17.342 4.807 1.00 20.15 H new ATOM 0 HD2 LYS A 90 3.783 19.490 3.183 1.00 30.21 H new ATOM 0 HD3 LYS A 90 3.534 19.274 4.904 1.00 30.21 H new ATOM 0 HE2 LYS A 90 6.225 19.780 3.569 1.00 12.02 H new ATOM 0 HE3 LYS A 90 5.272 20.987 4.411 1.00 12.02 H new ATOM 0 HZ1 LYS A 90 6.823 20.241 5.973 1.00 73.43 H new ATOM 0 HZ2 LYS A 90 5.402 19.416 6.402 1.00 73.43 H new ATOM 0 HZ3 LYS A 90 6.629 18.607 5.552 1.00 73.43 H new ATOM 1422 N PRO A 91 5.410 14.519 0.841 1.00 74.41 N ATOM 1423 CA PRO A 91 5.626 13.786 -0.404 1.00 65.33 C ATOM 1424 C PRO A 91 5.793 14.682 -1.615 1.00 10.35 C ATOM 1425 O PRO A 91 5.185 15.756 -1.710 1.00 51.32 O ATOM 1426 CB PRO A 91 4.338 12.955 -0.556 1.00 51.31 C ATOM 1427 CG PRO A 91 3.342 13.662 0.277 1.00 72.01 C ATOM 1428 CD PRO A 91 4.110 14.183 1.440 1.00 0.32 C ATOM 0 HA PRO A 91 6.546 13.203 -0.356 1.00 65.33 H new ATOM 0 HB2 PRO A 91 4.020 12.903 -1.597 1.00 51.31 H new ATOM 0 HB3 PRO A 91 4.484 11.930 -0.216 1.00 51.31 H new ATOM 0 HG2 PRO A 91 2.868 14.472 -0.277 1.00 72.01 H new ATOM 0 HG3 PRO A 91 2.548 12.988 0.599 1.00 72.01 H new ATOM 0 HD2 PRO A 91 3.631 15.055 1.884 1.00 0.32 H new ATOM 0 HD3 PRO A 91 4.208 13.437 2.228 1.00 0.32 H new ATOM 1436 N THR A 92 6.633 14.257 -2.497 1.00 72.23 N ATOM 1437 CA THR A 92 6.833 14.887 -3.743 1.00 22.34 C ATOM 1438 C THR A 92 6.352 13.953 -4.830 1.00 43.31 C ATOM 1439 O THR A 92 6.324 12.728 -4.610 1.00 33.11 O ATOM 1440 CB THR A 92 8.311 15.247 -3.926 1.00 22.32 C ATOM 1441 OG1 THR A 92 9.126 14.248 -3.318 1.00 14.40 O ATOM 1442 CG2 THR A 92 8.639 16.615 -3.368 1.00 12.24 C ATOM 0 H THR A 92 7.216 13.432 -2.358 1.00 72.23 H new ATOM 0 HA THR A 92 6.267 15.817 -3.793 1.00 22.34 H new ATOM 0 HB THR A 92 8.517 15.284 -4.996 1.00 22.32 H new ATOM 0 HG1 THR A 92 10.071 14.479 -3.438 1.00 14.40 H new ATOM 0 HG21 THR A 92 9.697 16.826 -3.521 1.00 12.24 H new ATOM 0 HG22 THR A 92 8.041 17.369 -3.879 1.00 12.24 H new ATOM 0 HG23 THR A 92 8.415 16.636 -2.301 1.00 12.24 H new ATOM 1450 N TYR A 93 5.970 14.490 -5.975 1.00 33.02 N ATOM 1451 CA TYR A 93 5.475 13.665 -7.061 1.00 31.00 C ATOM 1452 C TYR A 93 6.507 12.650 -7.495 1.00 35.44 C ATOM 1453 O TYR A 93 6.210 11.495 -7.593 1.00 25.21 O ATOM 1454 CB TYR A 93 5.032 14.490 -8.262 1.00 45.32 C ATOM 1455 CG TYR A 93 3.844 15.383 -8.009 1.00 21.03 C ATOM 1456 CD1 TYR A 93 2.564 14.859 -7.964 1.00 22.42 C ATOM 1457 CD2 TYR A 93 3.997 16.744 -7.835 1.00 43.21 C ATOM 1458 CE1 TYR A 93 1.473 15.668 -7.748 1.00 3.13 C ATOM 1459 CE2 TYR A 93 2.911 17.563 -7.624 1.00 50.23 C ATOM 1460 CZ TYR A 93 1.651 17.022 -7.582 1.00 1.34 C ATOM 1461 OH TYR A 93 0.556 17.843 -7.386 1.00 75.55 O ATOM 0 H TYR A 93 5.993 15.490 -6.176 1.00 33.02 H new ATOM 0 HA TYR A 93 4.602 13.142 -6.671 1.00 31.00 H new ATOM 0 HB2 TYR A 93 5.869 15.106 -8.591 1.00 45.32 H new ATOM 0 HB3 TYR A 93 4.793 13.813 -9.082 1.00 45.32 H new ATOM 0 HD1 TYR A 93 2.419 13.797 -8.101 1.00 22.42 H new ATOM 0 HD2 TYR A 93 4.987 17.174 -7.865 1.00 43.21 H new ATOM 0 HE1 TYR A 93 0.481 15.242 -7.709 1.00 3.13 H new ATOM 0 HE2 TYR A 93 3.050 18.626 -7.492 1.00 50.23 H new ATOM 0 HH TYR A 93 0.856 18.770 -7.285 1.00 75.55 H new ATOM 1471 N GLU A 94 7.731 13.101 -7.695 1.00 74.14 N ATOM 1472 CA GLU A 94 8.823 12.242 -8.170 1.00 50.30 C ATOM 1473 C GLU A 94 9.167 11.148 -7.164 1.00 73.54 C ATOM 1474 O GLU A 94 9.412 10.011 -7.544 1.00 24.32 O ATOM 1475 CB GLU A 94 10.032 13.096 -8.496 1.00 11.22 C ATOM 1476 CG GLU A 94 9.751 14.077 -9.613 1.00 53.35 C ATOM 1477 CD GLU A 94 10.842 15.073 -9.810 1.00 31.21 C ATOM 1478 OE1 GLU A 94 10.815 16.122 -9.133 1.00 31.22 O ATOM 1479 OE2 GLU A 94 11.725 14.846 -10.660 1.00 54.42 O ATOM 0 H GLU A 94 8.006 14.070 -7.536 1.00 74.14 H new ATOM 0 HA GLU A 94 8.493 11.733 -9.076 1.00 50.30 H new ATOM 0 HB2 GLU A 94 10.341 13.641 -7.604 1.00 11.22 H new ATOM 0 HB3 GLU A 94 10.864 12.452 -8.780 1.00 11.22 H new ATOM 0 HG2 GLU A 94 9.599 13.526 -10.541 1.00 53.35 H new ATOM 0 HG3 GLU A 94 8.821 14.604 -9.399 1.00 53.35 H new ATOM 1486 N ASN A 95 9.178 11.490 -5.889 1.00 25.53 N ATOM 1487 CA ASN A 95 9.397 10.500 -4.833 1.00 51.41 C ATOM 1488 C ASN A 95 8.294 9.469 -4.825 1.00 41.44 C ATOM 1489 O ASN A 95 8.556 8.262 -4.767 1.00 41.21 O ATOM 1490 CB ASN A 95 9.487 11.165 -3.469 1.00 65.44 C ATOM 1491 CG ASN A 95 10.815 11.821 -3.180 1.00 13.23 C ATOM 1492 OD1 ASN A 95 11.520 12.273 -4.076 1.00 52.42 O ATOM 1493 ND2 ASN A 95 11.145 11.898 -1.923 1.00 1.42 N ATOM 0 H ASN A 95 9.039 12.443 -5.553 1.00 25.53 H new ATOM 0 HA ASN A 95 10.344 10.003 -5.042 1.00 51.41 H new ATOM 0 HB2 ASN A 95 8.701 11.916 -3.392 1.00 65.44 H new ATOM 0 HB3 ASN A 95 9.290 10.417 -2.700 1.00 65.44 H new ATOM 0 HD21 ASN A 95 12.019 12.348 -1.652 1.00 1.42 H new ATOM 0 HD22 ASN A 95 10.529 11.509 -1.209 1.00 1.42 H new ATOM 1500 N LEU A 96 7.060 9.939 -4.888 1.00 60.41 N ATOM 1501 CA LEU A 96 5.915 9.051 -4.944 1.00 5.44 C ATOM 1502 C LEU A 96 5.980 8.205 -6.232 1.00 54.23 C ATOM 1503 O LEU A 96 5.763 7.002 -6.206 1.00 60.32 O ATOM 1504 CB LEU A 96 4.615 9.863 -4.878 1.00 10.30 C ATOM 1505 CG LEU A 96 3.309 9.068 -4.808 1.00 11.44 C ATOM 1506 CD1 LEU A 96 3.266 8.203 -3.550 1.00 63.50 C ATOM 1507 CD2 LEU A 96 2.122 10.012 -4.841 1.00 44.42 C ATOM 0 H LEU A 96 6.827 10.932 -4.902 1.00 60.41 H new ATOM 0 HA LEU A 96 5.933 8.377 -4.088 1.00 5.44 H new ATOM 0 HB2 LEU A 96 4.664 10.513 -4.005 1.00 10.30 H new ATOM 0 HB3 LEU A 96 4.573 10.509 -5.755 1.00 10.30 H new ATOM 0 HG LEU A 96 3.260 8.409 -5.675 1.00 11.44 H new ATOM 0 HD11 LEU A 96 2.329 7.647 -3.522 1.00 63.50 H new ATOM 0 HD12 LEU A 96 4.102 7.504 -3.561 1.00 63.50 H new ATOM 0 HD13 LEU A 96 3.337 8.840 -2.668 1.00 63.50 H new ATOM 0 HD21 LEU A 96 1.198 9.436 -4.791 1.00 44.42 H new ATOM 0 HD22 LEU A 96 2.173 10.691 -3.990 1.00 44.42 H new ATOM 0 HD23 LEU A 96 2.141 10.588 -5.766 1.00 44.42 H new ATOM 1519 N GLN A 97 6.324 8.852 -7.329 1.00 43.13 N ATOM 1520 CA GLN A 97 6.490 8.244 -8.619 1.00 30.12 C ATOM 1521 C GLN A 97 7.487 7.082 -8.538 1.00 31.51 C ATOM 1522 O GLN A 97 7.240 6.001 -9.070 1.00 62.11 O ATOM 1523 CB GLN A 97 6.984 9.339 -9.552 1.00 71.23 C ATOM 1524 CG GLN A 97 7.202 8.952 -10.960 1.00 74.21 C ATOM 1525 CD GLN A 97 7.594 10.142 -11.821 1.00 64.24 C ATOM 1526 OE1 GLN A 97 8.221 11.098 -11.343 1.00 31.33 O ATOM 1527 NE2 GLN A 97 7.241 10.110 -13.074 1.00 20.10 N ATOM 0 H GLN A 97 6.501 9.857 -7.337 1.00 43.13 H new ATOM 0 HA GLN A 97 5.554 7.824 -8.987 1.00 30.12 H new ATOM 0 HB2 GLN A 97 6.264 10.157 -9.530 1.00 71.23 H new ATOM 0 HB3 GLN A 97 7.922 9.729 -9.156 1.00 71.23 H new ATOM 0 HG2 GLN A 97 7.983 8.194 -11.011 1.00 74.21 H new ATOM 0 HG3 GLN A 97 6.293 8.500 -11.357 1.00 74.21 H new ATOM 0 HE21 GLN A 97 6.725 9.309 -13.438 1.00 20.10 H new ATOM 0 HE22 GLN A 97 7.480 10.886 -13.691 1.00 20.10 H new ATOM 1536 N LYS A 98 8.587 7.307 -7.840 1.00 13.55 N ATOM 1537 CA LYS A 98 9.594 6.282 -7.645 1.00 23.43 C ATOM 1538 C LYS A 98 9.084 5.126 -6.796 1.00 33.21 C ATOM 1539 O LYS A 98 9.351 3.961 -7.105 1.00 15.41 O ATOM 1540 CB LYS A 98 10.874 6.868 -7.073 1.00 4.24 C ATOM 1541 CG LYS A 98 11.603 7.787 -8.034 1.00 33.14 C ATOM 1542 CD LYS A 98 11.949 7.078 -9.341 1.00 55.24 C ATOM 1543 CE LYS A 98 12.716 7.991 -10.272 1.00 60.23 C ATOM 1544 NZ LYS A 98 13.023 7.333 -11.563 1.00 11.03 N ATOM 0 H LYS A 98 8.805 8.199 -7.396 1.00 13.55 H new ATOM 0 HA LYS A 98 9.824 5.872 -8.629 1.00 23.43 H new ATOM 0 HB2 LYS A 98 10.636 7.421 -6.164 1.00 4.24 H new ATOM 0 HB3 LYS A 98 11.540 6.054 -6.786 1.00 4.24 H new ATOM 0 HG2 LYS A 98 10.983 8.658 -8.246 1.00 33.14 H new ATOM 0 HG3 LYS A 98 12.517 8.153 -7.565 1.00 33.14 H new ATOM 0 HD2 LYS A 98 12.542 6.188 -9.129 1.00 55.24 H new ATOM 0 HD3 LYS A 98 11.034 6.742 -9.829 1.00 55.24 H new ATOM 0 HE2 LYS A 98 12.134 8.895 -10.455 1.00 60.23 H new ATOM 0 HE3 LYS A 98 13.645 8.301 -9.793 1.00 60.23 H new ATOM 0 HZ1 LYS A 98 13.549 7.992 -12.172 1.00 11.03 H new ATOM 0 HZ2 LYS A 98 13.600 6.485 -11.392 1.00 11.03 H new ATOM 0 HZ3 LYS A 98 12.136 7.060 -12.033 1.00 11.03 H new ATOM 1558 N SER A 99 8.340 5.434 -5.741 1.00 34.34 N ATOM 1559 CA SER A 99 7.774 4.398 -4.910 1.00 50.44 C ATOM 1560 C SER A 99 6.752 3.540 -5.704 1.00 2.10 C ATOM 1561 O SER A 99 6.720 2.321 -5.559 1.00 1.44 O ATOM 1562 CB SER A 99 7.215 4.982 -3.603 1.00 10.11 C ATOM 1563 OG SER A 99 6.217 5.963 -3.813 1.00 61.45 O ATOM 0 H SER A 99 8.120 6.386 -5.449 1.00 34.34 H new ATOM 0 HA SER A 99 8.567 3.712 -4.612 1.00 50.44 H new ATOM 0 HB2 SER A 99 6.800 4.174 -3.000 1.00 10.11 H new ATOM 0 HB3 SER A 99 8.032 5.421 -3.030 1.00 10.11 H new ATOM 0 HG SER A 99 6.128 6.139 -4.773 1.00 61.45 H new ATOM 1569 N LEU A 100 5.952 4.188 -6.573 1.00 73.32 N ATOM 1570 CA LEU A 100 5.030 3.490 -7.484 1.00 30.54 C ATOM 1571 C LEU A 100 5.800 2.584 -8.439 1.00 1.44 C ATOM 1572 O LEU A 100 5.420 1.442 -8.623 1.00 4.52 O ATOM 1573 CB LEU A 100 4.179 4.511 -8.273 1.00 31.35 C ATOM 1574 CG LEU A 100 2.913 5.105 -7.604 1.00 11.03 C ATOM 1575 CD1 LEU A 100 1.772 4.119 -7.660 1.00 44.31 C ATOM 1576 CD2 LEU A 100 3.153 5.494 -6.157 1.00 15.30 C ATOM 0 H LEU A 100 5.928 5.204 -6.662 1.00 73.32 H new ATOM 0 HA LEU A 100 4.362 2.868 -6.888 1.00 30.54 H new ATOM 0 HB2 LEU A 100 4.829 5.342 -8.545 1.00 31.35 H new ATOM 0 HB3 LEU A 100 3.868 4.033 -9.202 1.00 31.35 H new ATOM 0 HG LEU A 100 2.661 6.006 -8.164 1.00 11.03 H new ATOM 0 HD11 LEU A 100 0.892 4.553 -7.186 1.00 44.31 H new ATOM 0 HD12 LEU A 100 1.545 3.884 -8.700 1.00 44.31 H new ATOM 0 HD13 LEU A 100 2.054 3.206 -7.135 1.00 44.31 H new ATOM 0 HD21 LEU A 100 2.236 5.905 -5.734 1.00 15.30 H new ATOM 0 HD22 LEU A 100 3.453 4.614 -5.588 1.00 15.30 H new ATOM 0 HD23 LEU A 100 3.943 6.244 -6.108 1.00 15.30 H new ATOM 1588 N GLU A 101 6.881 3.102 -9.040 1.00 65.34 N ATOM 1589 CA GLU A 101 7.753 2.296 -9.939 1.00 40.15 C ATOM 1590 C GLU A 101 8.228 1.046 -9.230 1.00 62.41 C ATOM 1591 O GLU A 101 8.066 -0.075 -9.729 1.00 43.41 O ATOM 1592 CB GLU A 101 8.998 3.103 -10.312 1.00 71.21 C ATOM 1593 CG GLU A 101 8.821 4.212 -11.312 1.00 3.43 C ATOM 1594 CD GLU A 101 8.801 3.701 -12.735 1.00 70.40 C ATOM 1595 OE1 GLU A 101 9.881 3.279 -13.231 1.00 71.20 O ATOM 1596 OE2 GLU A 101 7.756 3.737 -13.387 1.00 42.23 O ATOM 0 H GLU A 101 7.180 4.071 -8.927 1.00 65.34 H new ATOM 0 HA GLU A 101 7.173 2.036 -10.825 1.00 40.15 H new ATOM 0 HB2 GLU A 101 9.408 3.533 -9.399 1.00 71.21 H new ATOM 0 HB3 GLU A 101 9.745 2.412 -10.702 1.00 71.21 H new ATOM 0 HG2 GLU A 101 7.891 4.741 -11.105 1.00 3.43 H new ATOM 0 HG3 GLU A 101 9.630 4.934 -11.198 1.00 3.43 H new ATOM 1603 N ALA A 102 8.790 1.257 -8.063 1.00 15.15 N ATOM 1604 CA ALA A 102 9.322 0.184 -7.242 1.00 32.22 C ATOM 1605 C ALA A 102 8.244 -0.837 -6.915 1.00 74.35 C ATOM 1606 O ALA A 102 8.448 -2.053 -7.052 1.00 55.53 O ATOM 1607 CB ALA A 102 9.914 0.753 -5.968 1.00 61.32 C ATOM 0 H ALA A 102 8.894 2.184 -7.650 1.00 15.15 H new ATOM 0 HA ALA A 102 10.107 -0.323 -7.804 1.00 32.22 H new ATOM 0 HB1 ALA A 102 10.311 -0.058 -5.357 1.00 61.32 H new ATOM 0 HB2 ALA A 102 10.717 1.446 -6.218 1.00 61.32 H new ATOM 0 HB3 ALA A 102 9.140 1.281 -5.411 1.00 61.32 H new ATOM 1613 N MET A 103 7.104 -0.329 -6.511 1.00 73.42 N ATOM 1614 CA MET A 103 5.965 -1.119 -6.154 1.00 24.51 C ATOM 1615 C MET A 103 5.393 -1.902 -7.335 1.00 55.30 C ATOM 1616 O MET A 103 5.163 -3.117 -7.224 1.00 11.22 O ATOM 1617 CB MET A 103 4.901 -0.225 -5.509 1.00 51.33 C ATOM 1618 CG MET A 103 3.568 -0.890 -5.333 1.00 74.51 C ATOM 1619 SD MET A 103 2.384 0.072 -4.394 1.00 23.44 S ATOM 1620 CE MET A 103 2.193 1.501 -5.432 1.00 13.31 C ATOM 0 H MET A 103 6.946 0.675 -6.421 1.00 73.42 H new ATOM 0 HA MET A 103 6.293 -1.867 -5.432 1.00 24.51 H new ATOM 0 HB2 MET A 103 5.261 0.106 -4.535 1.00 51.33 H new ATOM 0 HB3 MET A 103 4.772 0.668 -6.121 1.00 51.33 H new ATOM 0 HG2 MET A 103 3.148 -1.102 -6.316 1.00 74.51 H new ATOM 0 HG3 MET A 103 3.716 -1.849 -4.836 1.00 74.51 H new ATOM 0 HE1 MET A 103 1.155 1.832 -5.409 1.00 13.31 H new ATOM 0 HE2 MET A 103 2.837 2.302 -5.070 1.00 13.31 H new ATOM 0 HE3 MET A 103 2.470 1.247 -6.455 1.00 13.31 H new ATOM 1630 N LYS A 104 5.183 -1.229 -8.461 1.00 12.14 N ATOM 1631 CA LYS A 104 4.590 -1.850 -9.608 1.00 73.55 C ATOM 1632 C LYS A 104 5.479 -2.958 -10.164 1.00 20.23 C ATOM 1633 O LYS A 104 5.003 -4.036 -10.448 1.00 22.21 O ATOM 1634 CB LYS A 104 4.155 -0.782 -10.666 1.00 53.21 C ATOM 1635 CG LYS A 104 5.212 -0.031 -11.453 1.00 11.32 C ATOM 1636 CD LYS A 104 5.857 -0.854 -12.531 1.00 2.44 C ATOM 1637 CE LYS A 104 6.847 -0.041 -13.322 1.00 11.21 C ATOM 1638 NZ LYS A 104 7.579 -0.877 -14.284 1.00 11.41 N ATOM 0 H LYS A 104 5.422 -0.246 -8.590 1.00 12.14 H new ATOM 0 HA LYS A 104 3.671 -2.348 -9.301 1.00 73.55 H new ATOM 0 HB2 LYS A 104 3.507 -1.282 -11.386 1.00 53.21 H new ATOM 0 HB3 LYS A 104 3.546 -0.041 -10.149 1.00 53.21 H new ATOM 0 HG2 LYS A 104 4.759 0.852 -11.904 1.00 11.32 H new ATOM 0 HG3 LYS A 104 5.982 0.321 -10.767 1.00 11.32 H new ATOM 0 HD2 LYS A 104 6.361 -1.711 -12.084 1.00 2.44 H new ATOM 0 HD3 LYS A 104 5.091 -1.248 -13.199 1.00 2.44 H new ATOM 0 HE2 LYS A 104 6.325 0.755 -13.853 1.00 11.21 H new ATOM 0 HE3 LYS A 104 7.552 0.438 -12.643 1.00 11.21 H new ATOM 0 HZ1 LYS A 104 8.058 -0.269 -14.978 1.00 11.41 H new ATOM 0 HZ2 LYS A 104 8.285 -1.450 -13.779 1.00 11.41 H new ATOM 0 HZ3 LYS A 104 6.912 -1.505 -14.776 1.00 11.41 H new ATOM 1652 N SER A 105 6.786 -2.703 -10.234 1.00 21.40 N ATOM 1653 CA SER A 105 7.731 -3.670 -10.780 1.00 54.31 C ATOM 1654 C SER A 105 7.848 -4.896 -9.872 1.00 40.34 C ATOM 1655 O SER A 105 8.070 -6.017 -10.333 1.00 73.51 O ATOM 1656 CB SER A 105 9.089 -3.009 -10.962 1.00 33.35 C ATOM 1657 OG SER A 105 8.974 -1.839 -11.764 1.00 53.45 O ATOM 0 H SER A 105 7.212 -1.832 -9.918 1.00 21.40 H new ATOM 0 HA SER A 105 7.364 -4.009 -11.749 1.00 54.31 H new ATOM 0 HB2 SER A 105 9.506 -2.750 -9.989 1.00 33.35 H new ATOM 0 HB3 SER A 105 9.781 -3.710 -11.429 1.00 33.35 H new ATOM 0 HG SER A 105 8.658 -1.094 -11.212 1.00 53.45 H new ATOM 1663 N HIS A 106 7.670 -4.680 -8.576 1.00 61.32 N ATOM 1664 CA HIS A 106 7.741 -5.761 -7.611 1.00 34.52 C ATOM 1665 C HIS A 106 6.572 -6.709 -7.765 1.00 61.42 C ATOM 1666 O HIS A 106 6.714 -7.922 -7.572 1.00 24.04 O ATOM 1667 CB HIS A 106 7.780 -5.224 -6.182 1.00 11.33 C ATOM 1668 CG HIS A 106 7.814 -6.311 -5.158 1.00 53.05 C ATOM 1669 ND1 HIS A 106 6.802 -6.537 -4.268 1.00 33.10 N ATOM 1670 CD2 HIS A 106 8.748 -7.224 -4.895 1.00 25.22 C ATOM 1671 CE1 HIS A 106 7.107 -7.528 -3.492 1.00 71.12 C ATOM 1672 NE2 HIS A 106 8.296 -7.974 -3.838 1.00 24.14 N ATOM 0 H HIS A 106 7.475 -3.764 -8.171 1.00 61.32 H new ATOM 0 HA HIS A 106 8.664 -6.306 -7.807 1.00 34.52 H new ATOM 0 HB2 HIS A 106 8.657 -4.589 -6.061 1.00 11.33 H new ATOM 0 HB3 HIS A 106 6.906 -4.596 -6.010 1.00 11.33 H new ATOM 0 HD1 HIS A 106 5.934 -6.004 -4.222 1.00 33.10 H new ATOM 0 HD2 HIS A 106 9.686 -7.350 -5.416 1.00 25.22 H new ATOM 0 HE1 HIS A 106 6.491 -7.921 -2.697 1.00 71.12 H new ATOM 1681 N CYS A 107 5.437 -6.173 -8.103 1.00 3.13 N ATOM 1682 CA CYS A 107 4.244 -6.962 -8.241 1.00 74.24 C ATOM 1683 C CYS A 107 4.396 -8.020 -9.330 1.00 52.14 C ATOM 1684 O CYS A 107 3.893 -9.134 -9.185 1.00 12.43 O ATOM 1685 CB CYS A 107 3.056 -6.065 -8.474 1.00 75.40 C ATOM 1686 SG CYS A 107 2.743 -4.929 -7.107 1.00 35.52 S ATOM 0 H CYS A 107 5.310 -5.179 -8.291 1.00 3.13 H new ATOM 0 HA CYS A 107 4.074 -7.505 -7.311 1.00 74.24 H new ATOM 0 HB2 CYS A 107 3.216 -5.490 -9.386 1.00 75.40 H new ATOM 0 HB3 CYS A 107 2.171 -6.680 -8.637 1.00 75.40 H new ATOM 0 HG CYS A 107 3.623 -3.972 -7.128 1.00 35.52 H new ATOM 1692 N LEU A 108 5.134 -7.686 -10.381 1.00 72.53 N ATOM 1693 CA LEU A 108 5.438 -8.618 -11.453 1.00 73.23 C ATOM 1694 C LEU A 108 6.173 -9.845 -10.936 1.00 71.23 C ATOM 1695 O LEU A 108 5.856 -10.967 -11.325 1.00 74.34 O ATOM 1696 CB LEU A 108 6.293 -7.956 -12.543 1.00 35.00 C ATOM 1697 CG LEU A 108 5.617 -6.987 -13.532 1.00 71.23 C ATOM 1698 CD1 LEU A 108 4.922 -5.838 -12.844 1.00 71.51 C ATOM 1699 CD2 LEU A 108 6.654 -6.461 -14.487 1.00 64.53 C ATOM 0 H LEU A 108 5.538 -6.759 -10.512 1.00 72.53 H new ATOM 0 HA LEU A 108 4.481 -8.924 -11.877 1.00 73.23 H new ATOM 0 HB2 LEU A 108 7.097 -7.413 -12.047 1.00 35.00 H new ATOM 0 HB3 LEU A 108 6.758 -8.751 -13.126 1.00 35.00 H new ATOM 0 HG LEU A 108 4.847 -7.543 -14.066 1.00 71.23 H new ATOM 0 HD11 LEU A 108 4.465 -5.189 -13.591 1.00 71.51 H new ATOM 0 HD12 LEU A 108 4.150 -6.225 -12.179 1.00 71.51 H new ATOM 0 HD13 LEU A 108 5.648 -5.268 -12.264 1.00 71.51 H new ATOM 0 HD21 LEU A 108 6.185 -5.774 -15.191 1.00 64.53 H new ATOM 0 HD22 LEU A 108 7.429 -5.936 -13.929 1.00 64.53 H new ATOM 0 HD23 LEU A 108 7.100 -7.292 -15.033 1.00 64.53 H new ATOM 1711 N LYS A 109 7.126 -9.636 -10.020 1.00 25.13 N ATOM 1712 CA LYS A 109 7.975 -10.728 -9.531 1.00 4.35 C ATOM 1713 C LYS A 109 7.203 -11.679 -8.637 1.00 12.31 C ATOM 1714 O LYS A 109 7.653 -12.775 -8.323 1.00 14.31 O ATOM 1715 CB LYS A 109 9.138 -10.138 -8.763 1.00 22.42 C ATOM 1716 CG LYS A 109 9.889 -9.125 -9.569 1.00 30.33 C ATOM 1717 CD LYS A 109 11.092 -8.586 -8.825 1.00 31.32 C ATOM 1718 CE LYS A 109 11.817 -7.534 -9.650 1.00 31.43 C ATOM 1719 NZ LYS A 109 12.963 -6.955 -8.922 1.00 64.42 N ATOM 0 H LYS A 109 7.328 -8.726 -9.605 1.00 25.13 H new ATOM 0 HA LYS A 109 8.334 -11.297 -10.389 1.00 4.35 H new ATOM 0 HB2 LYS A 109 8.769 -9.672 -7.849 1.00 22.42 H new ATOM 0 HB3 LYS A 109 9.816 -10.937 -8.463 1.00 22.42 H new ATOM 0 HG2 LYS A 109 10.215 -9.577 -10.506 1.00 30.33 H new ATOM 0 HG3 LYS A 109 9.223 -8.301 -9.827 1.00 30.33 H new ATOM 0 HD2 LYS A 109 10.774 -8.154 -7.876 1.00 31.32 H new ATOM 0 HD3 LYS A 109 11.774 -9.403 -8.590 1.00 31.32 H new ATOM 0 HE2 LYS A 109 12.167 -7.981 -10.581 1.00 31.43 H new ATOM 0 HE3 LYS A 109 11.120 -6.740 -9.919 1.00 31.43 H new ATOM 0 HZ1 LYS A 109 13.430 -6.243 -9.519 1.00 64.42 H new ATOM 0 HZ2 LYS A 109 12.627 -6.506 -8.046 1.00 64.42 H new ATOM 0 HZ3 LYS A 109 13.641 -7.708 -8.687 1.00 64.42 H new ATOM 1733 N ASN A 110 6.065 -11.241 -8.221 1.00 45.24 N ATOM 1734 CA ASN A 110 5.250 -12.001 -7.273 1.00 72.22 C ATOM 1735 C ASN A 110 3.932 -12.459 -7.858 1.00 23.24 C ATOM 1736 O ASN A 110 3.274 -13.338 -7.299 1.00 30.34 O ATOM 1737 CB ASN A 110 5.020 -11.178 -6.011 1.00 72.13 C ATOM 1738 CG ASN A 110 6.308 -10.917 -5.274 1.00 31.43 C ATOM 1739 OD1 ASN A 110 6.682 -11.654 -4.384 1.00 14.22 O ATOM 1740 ND2 ASN A 110 7.009 -9.889 -5.665 1.00 1.43 N ATOM 0 H ASN A 110 5.655 -10.354 -8.513 1.00 45.24 H new ATOM 0 HA ASN A 110 5.806 -12.906 -7.026 1.00 72.22 H new ATOM 0 HB2 ASN A 110 4.553 -10.229 -6.275 1.00 72.13 H new ATOM 0 HB3 ASN A 110 4.325 -11.703 -5.355 1.00 72.13 H new ATOM 0 HD21 ASN A 110 7.903 -9.682 -5.220 1.00 1.43 H new ATOM 0 HD22 ASN A 110 6.663 -9.292 -6.416 1.00 1.43 H new ATOM 1747 N GLY A 111 3.544 -11.875 -8.967 1.00 41.04 N ATOM 1748 CA GLY A 111 2.282 -12.218 -9.566 1.00 61.13 C ATOM 1749 C GLY A 111 1.140 -11.485 -8.896 1.00 61.31 C ATOM 1750 O GLY A 111 0.046 -12.019 -8.743 1.00 45.21 O ATOM 0 H GLY A 111 4.081 -11.166 -9.467 1.00 41.04 H new ATOM 0 HA2 GLY A 111 2.302 -11.972 -10.628 1.00 61.13 H new ATOM 0 HA3 GLY A 111 2.121 -13.293 -9.491 1.00 61.13 H new ATOM 1754 N VAL A 112 1.399 -10.268 -8.487 1.00 52.42 N ATOM 1755 CA VAL A 112 0.398 -9.456 -7.844 1.00 52.12 C ATOM 1756 C VAL A 112 -0.285 -8.601 -8.897 1.00 32.40 C ATOM 1757 O VAL A 112 0.374 -7.934 -9.687 1.00 54.13 O ATOM 1758 CB VAL A 112 1.003 -8.564 -6.722 1.00 32.43 C ATOM 1759 CG1 VAL A 112 -0.065 -7.691 -6.079 1.00 13.20 C ATOM 1760 CG2 VAL A 112 1.679 -9.424 -5.666 1.00 30.13 C ATOM 0 H VAL A 112 2.307 -9.814 -8.590 1.00 52.42 H new ATOM 0 HA VAL A 112 -0.328 -10.112 -7.364 1.00 52.12 H new ATOM 0 HB VAL A 112 1.748 -7.912 -7.178 1.00 32.43 H new ATOM 0 HG11 VAL A 112 0.387 -7.079 -5.299 1.00 13.20 H new ATOM 0 HG12 VAL A 112 -0.510 -7.045 -6.835 1.00 13.20 H new ATOM 0 HG13 VAL A 112 -0.837 -8.324 -5.642 1.00 13.20 H new ATOM 0 HG21 VAL A 112 2.097 -8.784 -4.889 1.00 30.13 H new ATOM 0 HG22 VAL A 112 0.947 -10.101 -5.225 1.00 30.13 H new ATOM 0 HG23 VAL A 112 2.478 -10.005 -6.127 1.00 30.13 H new ATOM 1770 N THR A 113 -1.582 -8.655 -8.924 1.00 20.44 N ATOM 1771 CA THR A 113 -2.371 -7.931 -9.901 1.00 33.00 C ATOM 1772 C THR A 113 -3.454 -7.114 -9.214 1.00 32.45 C ATOM 1773 O THR A 113 -4.180 -6.399 -9.857 1.00 62.14 O ATOM 1774 CB THR A 113 -2.989 -8.941 -10.958 1.00 51.03 C ATOM 1775 OG1 THR A 113 -3.953 -8.313 -11.833 1.00 22.40 O ATOM 1776 CG2 THR A 113 -3.635 -10.141 -10.273 1.00 44.54 C ATOM 0 H THR A 113 -2.137 -9.204 -8.268 1.00 20.44 H new ATOM 0 HA THR A 113 -1.724 -7.236 -10.435 1.00 33.00 H new ATOM 0 HB THR A 113 -2.151 -9.280 -11.567 1.00 51.03 H new ATOM 0 HG1 THR A 113 -3.483 -7.781 -12.509 1.00 22.40 H new ATOM 0 HG21 THR A 113 -4.048 -10.812 -11.027 1.00 44.54 H new ATOM 0 HG22 THR A 113 -2.885 -10.672 -9.686 1.00 44.54 H new ATOM 0 HG23 THR A 113 -4.434 -9.798 -9.616 1.00 44.54 H new ATOM 1784 N ASP A 114 -3.524 -7.182 -7.915 1.00 45.40 N ATOM 1785 CA ASP A 114 -4.567 -6.474 -7.198 1.00 30.03 C ATOM 1786 C ASP A 114 -3.920 -5.729 -6.032 1.00 72.02 C ATOM 1787 O ASP A 114 -3.201 -6.340 -5.220 1.00 61.10 O ATOM 1788 CB ASP A 114 -5.626 -7.482 -6.677 1.00 33.42 C ATOM 1789 CG ASP A 114 -6.161 -8.434 -7.754 1.00 73.02 C ATOM 1790 OD1 ASP A 114 -6.975 -8.026 -8.609 1.00 21.11 O ATOM 1791 OD2 ASP A 114 -5.733 -9.620 -7.774 1.00 1.04 O ATOM 0 H ASP A 114 -2.881 -7.713 -7.328 1.00 45.40 H new ATOM 0 HA ASP A 114 -5.069 -5.766 -7.857 1.00 30.03 H new ATOM 0 HB2 ASP A 114 -5.187 -8.071 -5.871 1.00 33.42 H new ATOM 0 HB3 ASP A 114 -6.461 -6.928 -6.249 1.00 33.42 H new ATOM 1796 N LEU A 115 -4.142 -4.433 -5.956 1.00 13.32 N ATOM 1797 CA LEU A 115 -3.541 -3.584 -4.923 1.00 63.43 C ATOM 1798 C LEU A 115 -4.556 -2.640 -4.330 1.00 33.23 C ATOM 1799 O LEU A 115 -5.435 -2.143 -5.026 1.00 21.32 O ATOM 1800 CB LEU A 115 -2.372 -2.760 -5.488 1.00 73.41 C ATOM 1801 CG LEU A 115 -1.110 -3.519 -5.877 1.00 31.41 C ATOM 1802 CD1 LEU A 115 -0.121 -2.579 -6.543 1.00 22.04 C ATOM 1803 CD2 LEU A 115 -0.476 -4.118 -4.644 1.00 20.22 C ATOM 0 H LEU A 115 -4.744 -3.928 -6.606 1.00 13.32 H new ATOM 0 HA LEU A 115 -3.171 -4.252 -4.145 1.00 63.43 H new ATOM 0 HB2 LEU A 115 -2.730 -2.225 -6.368 1.00 73.41 H new ATOM 0 HB3 LEU A 115 -2.099 -2.008 -4.747 1.00 73.41 H new ATOM 0 HG LEU A 115 -1.377 -4.313 -6.574 1.00 31.41 H new ATOM 0 HD11 LEU A 115 0.778 -3.131 -6.817 1.00 22.04 H new ATOM 0 HD12 LEU A 115 -0.572 -2.152 -7.439 1.00 22.04 H new ATOM 0 HD13 LEU A 115 0.142 -1.778 -5.852 1.00 22.04 H new ATOM 0 HD21 LEU A 115 0.427 -4.660 -4.926 1.00 20.22 H new ATOM 0 HD22 LEU A 115 -0.218 -3.323 -3.945 1.00 20.22 H new ATOM 0 HD23 LEU A 115 -1.178 -4.804 -4.170 1.00 20.22 H new ATOM 1815 N SER A 116 -4.426 -2.375 -3.058 1.00 73.01 N ATOM 1816 CA SER A 116 -5.296 -1.489 -2.390 1.00 65.33 C ATOM 1817 C SER A 116 -4.496 -0.532 -1.524 1.00 72.11 C ATOM 1818 O SER A 116 -3.585 -0.937 -0.800 1.00 35.44 O ATOM 1819 CB SER A 116 -6.330 -2.279 -1.582 1.00 3.33 C ATOM 1820 OG SER A 116 -5.704 -3.236 -0.738 1.00 35.54 O ATOM 0 H SER A 116 -3.702 -2.780 -2.465 1.00 73.01 H new ATOM 0 HA SER A 116 -5.843 -0.890 -3.118 1.00 65.33 H new ATOM 0 HB2 SER A 116 -6.925 -1.593 -0.979 1.00 3.33 H new ATOM 0 HB3 SER A 116 -7.017 -2.784 -2.261 1.00 3.33 H new ATOM 0 HG SER A 116 -4.926 -3.617 -1.196 1.00 35.54 H new ATOM 1826 N MET A 117 -4.791 0.713 -1.648 1.00 72.51 N ATOM 1827 CA MET A 117 -4.144 1.739 -0.894 1.00 23.02 C ATOM 1828 C MET A 117 -5.175 2.747 -0.465 1.00 21.31 C ATOM 1829 O MET A 117 -6.229 2.836 -1.065 1.00 41.13 O ATOM 1830 CB MET A 117 -3.020 2.438 -1.718 1.00 12.41 C ATOM 1831 CG MET A 117 -3.459 3.094 -3.026 1.00 44.02 C ATOM 1832 SD MET A 117 -3.926 1.908 -4.308 1.00 51.14 S ATOM 1833 CE MET A 117 -2.374 1.042 -4.552 1.00 31.22 C ATOM 0 H MET A 117 -5.504 1.059 -2.290 1.00 72.51 H new ATOM 0 HA MET A 117 -3.672 1.287 -0.022 1.00 23.02 H new ATOM 0 HB2 MET A 117 -2.556 3.199 -1.090 1.00 12.41 H new ATOM 0 HB3 MET A 117 -2.251 1.700 -1.945 1.00 12.41 H new ATOM 0 HG2 MET A 117 -4.304 3.753 -2.827 1.00 44.02 H new ATOM 0 HG3 MET A 117 -2.648 3.720 -3.399 1.00 44.02 H new ATOM 0 HE1 MET A 117 -2.370 0.573 -5.536 1.00 31.22 H new ATOM 0 HE2 MET A 117 -1.548 1.750 -4.484 1.00 31.22 H new ATOM 0 HE3 MET A 117 -2.260 0.276 -3.785 1.00 31.22 H new ATOM 1843 N PRO A 118 -4.920 3.488 0.595 1.00 20.34 N ATOM 1844 CA PRO A 118 -5.816 4.531 1.035 1.00 64.22 C ATOM 1845 C PRO A 118 -5.473 5.840 0.331 1.00 35.52 C ATOM 1846 O PRO A 118 -4.883 5.845 -0.759 1.00 60.32 O ATOM 1847 CB PRO A 118 -5.461 4.638 2.511 1.00 13.41 C ATOM 1848 CG PRO A 118 -3.993 4.428 2.520 1.00 74.34 C ATOM 1849 CD PRO A 118 -3.737 3.378 1.479 1.00 52.43 C ATOM 0 HA PRO A 118 -6.869 4.330 0.836 1.00 64.22 H new ATOM 0 HB2 PRO A 118 -5.732 5.611 2.921 1.00 13.41 H new ATOM 0 HB3 PRO A 118 -5.979 3.886 3.106 1.00 13.41 H new ATOM 0 HG2 PRO A 118 -3.462 5.351 2.287 1.00 74.34 H new ATOM 0 HG3 PRO A 118 -3.648 4.101 3.501 1.00 74.34 H new ATOM 0 HD2 PRO A 118 -2.810 3.565 0.937 1.00 52.43 H new ATOM 0 HD3 PRO A 118 -3.654 2.385 1.920 1.00 52.43 H new ATOM 1857 N ARG A 119 -5.859 6.926 0.940 1.00 34.32 N ATOM 1858 CA ARG A 119 -5.511 8.230 0.472 1.00 42.13 C ATOM 1859 C ARG A 119 -4.006 8.434 0.673 1.00 11.23 C ATOM 1860 O ARG A 119 -3.546 8.788 1.764 1.00 72.05 O ATOM 1861 CB ARG A 119 -6.317 9.257 1.244 1.00 54.32 C ATOM 1862 CG ARG A 119 -6.073 10.701 0.889 1.00 61.15 C ATOM 1863 CD ARG A 119 -6.952 11.565 1.752 1.00 21.12 C ATOM 1864 NE ARG A 119 -6.787 12.979 1.514 1.00 10.33 N ATOM 1865 CZ ARG A 119 -7.567 13.914 2.041 1.00 4.04 C ATOM 1866 NH1 ARG A 119 -8.570 13.568 2.867 1.00 12.52 N ATOM 1867 NH2 ARG A 119 -7.342 15.196 1.765 1.00 61.12 N ATOM 0 H ARG A 119 -6.431 6.926 1.785 1.00 34.32 H new ATOM 0 HA ARG A 119 -5.738 8.342 -0.588 1.00 42.13 H new ATOM 0 HB2 ARG A 119 -7.375 9.043 1.096 1.00 54.32 H new ATOM 0 HB3 ARG A 119 -6.110 9.126 2.306 1.00 54.32 H new ATOM 0 HG2 ARG A 119 -5.024 10.956 1.043 1.00 61.15 H new ATOM 0 HG3 ARG A 119 -6.292 10.873 -0.165 1.00 61.15 H new ATOM 0 HD2 ARG A 119 -7.994 11.295 1.579 1.00 21.12 H new ATOM 0 HD3 ARG A 119 -6.738 11.354 2.800 1.00 21.12 H new ATOM 0 HE ARG A 119 -6.025 13.277 0.904 1.00 10.33 H new ATOM 0 HH11 ARG A 119 -8.732 12.586 3.089 1.00 12.52 H new ATOM 0 HH12 ARG A 119 -9.169 14.288 3.271 1.00 12.52 H new ATOM 0 HH21 ARG A 119 -6.572 15.458 1.150 1.00 61.12 H new ATOM 0 HH22 ARG A 119 -7.940 15.917 2.169 1.00 61.12 H new ATOM 1980 N LEU A 127 -0.229 18.494 -3.247 1.00 55.42 N ATOM 1981 CA LEU A 127 -0.239 17.622 -4.360 1.00 15.04 C ATOM 1982 C LEU A 127 -1.633 17.444 -4.773 1.00 41.21 C ATOM 1983 O LEU A 127 -2.515 17.145 -3.955 1.00 4.32 O ATOM 1984 CB LEU A 127 0.402 16.262 -4.151 1.00 73.45 C ATOM 1985 CG LEU A 127 1.893 16.234 -3.926 1.00 4.45 C ATOM 1986 CD1 LEU A 127 2.270 16.708 -2.542 1.00 64.13 C ATOM 1987 CD2 LEU A 127 2.443 14.864 -4.250 1.00 71.13 C ATOM 0 HA LEU A 127 0.380 18.097 -5.122 1.00 15.04 H new ATOM 0 HB2 LEU A 127 -0.079 15.789 -3.294 1.00 73.45 H new ATOM 0 HB3 LEU A 127 0.179 15.645 -5.022 1.00 73.45 H new ATOM 0 HG LEU A 127 2.357 16.945 -4.610 1.00 4.45 H new ATOM 0 HD11 LEU A 127 3.353 16.670 -2.427 1.00 64.13 H new ATOM 0 HD12 LEU A 127 1.926 17.733 -2.402 1.00 64.13 H new ATOM 0 HD13 LEU A 127 1.803 16.064 -1.797 1.00 64.13 H new ATOM 0 HD21 LEU A 127 3.520 14.856 -4.084 1.00 71.13 H new ATOM 0 HD22 LEU A 127 1.971 14.121 -3.607 1.00 71.13 H new ATOM 0 HD23 LEU A 127 2.235 14.626 -5.293 1.00 71.13 H new ATOM 1999 N GLN A 128 -1.843 17.631 -5.993 1.00 22.34 N ATOM 2000 CA GLN A 128 -3.110 17.555 -6.549 1.00 70.33 C ATOM 2001 C GLN A 128 -3.338 16.136 -6.986 1.00 23.21 C ATOM 2002 O GLN A 128 -2.549 15.592 -7.776 1.00 13.54 O ATOM 2003 CB GLN A 128 -3.185 18.524 -7.705 1.00 30.51 C ATOM 2004 CG GLN A 128 -4.488 18.524 -8.412 1.00 30.32 C ATOM 2005 CD GLN A 128 -4.546 19.550 -9.515 1.00 53.15 C ATOM 2006 OE1 GLN A 128 -3.524 19.891 -10.119 1.00 43.25 O ATOM 2007 NE2 GLN A 128 -5.721 20.037 -9.796 1.00 41.13 N ATOM 0 H GLN A 128 -1.107 17.851 -6.664 1.00 22.34 H new ATOM 0 HA GLN A 128 -3.887 17.826 -5.835 1.00 70.33 H new ATOM 0 HB2 GLN A 128 -2.984 19.530 -7.336 1.00 30.51 H new ATOM 0 HB3 GLN A 128 -2.397 18.283 -8.418 1.00 30.51 H new ATOM 0 HG2 GLN A 128 -4.671 17.534 -8.831 1.00 30.32 H new ATOM 0 HG3 GLN A 128 -5.286 18.719 -7.696 1.00 30.32 H new ATOM 0 HE21 GLN A 128 -6.540 19.728 -9.272 1.00 41.13 H new ATOM 0 HE22 GLN A 128 -5.822 20.727 -10.540 1.00 41.13 H new ATOM 2016 N TRP A 129 -4.402 15.533 -6.480 1.00 24.13 N ATOM 2017 CA TRP A 129 -4.716 14.137 -6.753 1.00 11.35 C ATOM 2018 C TRP A 129 -4.836 13.873 -8.254 1.00 33.32 C ATOM 2019 O TRP A 129 -4.519 12.791 -8.719 1.00 13.15 O ATOM 2020 CB TRP A 129 -5.988 13.703 -6.003 1.00 64.11 C ATOM 2021 CG TRP A 129 -6.352 12.270 -6.232 1.00 33.42 C ATOM 2022 CD1 TRP A 129 -7.298 11.798 -7.088 1.00 43.32 C ATOM 2023 CD2 TRP A 129 -5.755 11.124 -5.614 1.00 31.31 C ATOM 2024 NE1 TRP A 129 -7.332 10.434 -7.043 1.00 71.03 N ATOM 2025 CE2 TRP A 129 -6.394 9.989 -6.142 1.00 42.31 C ATOM 2026 CE3 TRP A 129 -4.742 10.949 -4.661 1.00 2.03 C ATOM 2027 CZ2 TRP A 129 -6.052 8.693 -5.752 1.00 42.34 C ATOM 2028 CZ3 TRP A 129 -4.408 9.666 -4.278 1.00 52.55 C ATOM 2029 CH2 TRP A 129 -5.060 8.555 -4.822 1.00 14.24 C ATOM 0 H TRP A 129 -5.073 15.997 -5.868 1.00 24.13 H new ATOM 0 HA TRP A 129 -3.888 13.532 -6.384 1.00 11.35 H new ATOM 0 HB2 TRP A 129 -5.845 13.868 -4.935 1.00 64.11 H new ATOM 0 HB3 TRP A 129 -6.819 14.336 -6.315 1.00 64.11 H new ATOM 0 HD1 TRP A 129 -7.930 12.413 -7.712 1.00 43.32 H new ATOM 0 HE1 TRP A 129 -7.954 9.840 -7.591 1.00 71.03 H new ATOM 0 HE3 TRP A 129 -4.233 11.801 -4.235 1.00 2.03 H new ATOM 0 HZ2 TRP A 129 -6.552 7.832 -6.169 1.00 42.34 H new ATOM 0 HZ3 TRP A 129 -3.629 9.517 -3.545 1.00 52.55 H new ATOM 0 HH2 TRP A 129 -4.773 7.565 -4.500 1.00 14.24 H new ATOM 2040 N GLU A 130 -5.253 14.887 -8.992 1.00 33.12 N ATOM 2041 CA GLU A 130 -5.378 14.806 -10.451 1.00 4.54 C ATOM 2042 C GLU A 130 -4.030 14.422 -11.100 1.00 32.51 C ATOM 2043 O GLU A 130 -3.984 13.686 -12.090 1.00 11.54 O ATOM 2044 CB GLU A 130 -5.859 16.148 -10.993 1.00 52.51 C ATOM 2045 CG GLU A 130 -7.160 16.628 -10.363 1.00 33.05 C ATOM 2046 CD GLU A 130 -8.343 15.729 -10.648 1.00 60.41 C ATOM 2047 OE1 GLU A 130 -8.418 14.612 -10.092 1.00 74.35 O ATOM 2048 OE2 GLU A 130 -9.222 16.137 -11.434 1.00 20.12 O ATOM 0 H GLU A 130 -5.516 15.793 -8.604 1.00 33.12 H new ATOM 0 HA GLU A 130 -6.103 14.031 -10.699 1.00 4.54 H new ATOM 0 HB2 GLU A 130 -5.085 16.897 -10.825 1.00 52.51 H new ATOM 0 HB3 GLU A 130 -5.995 16.067 -12.071 1.00 52.51 H new ATOM 0 HG2 GLU A 130 -7.024 16.704 -9.284 1.00 33.05 H new ATOM 0 HG3 GLU A 130 -7.381 17.631 -10.728 1.00 33.05 H new ATOM 2055 N ASN A 131 -2.944 14.920 -10.526 1.00 44.20 N ATOM 2056 CA ASN A 131 -1.596 14.595 -10.992 1.00 61.24 C ATOM 2057 C ASN A 131 -1.187 13.238 -10.496 1.00 33.23 C ATOM 2058 O ASN A 131 -0.549 12.474 -11.206 1.00 53.23 O ATOM 2059 CB ASN A 131 -0.564 15.661 -10.553 1.00 31.42 C ATOM 2060 CG ASN A 131 -0.654 16.947 -11.364 1.00 22.15 C ATOM 2061 OD1 ASN A 131 -1.499 17.860 -10.953 1.00 21.51 O flip ATOM 2062 ND2 ASN A 131 0.035 17.107 -12.366 1.00 64.10 N flip ATOM 0 H ASN A 131 -2.967 15.557 -9.729 1.00 44.20 H new ATOM 0 HA ASN A 131 -1.617 14.586 -12.082 1.00 61.24 H new ATOM 0 HB2 ASN A 131 -0.715 15.892 -9.498 1.00 31.42 H new ATOM 0 HB3 ASN A 131 0.440 15.247 -10.648 1.00 31.42 H new ATOM 0 HD21 ASN A 131 0.684 16.377 -12.661 1.00 64.10 H new ATOM 0 HD22 ASN A 131 -0.041 17.970 -12.905 1.00 64.10 H new ATOM 2069 N VAL A 132 -1.589 12.932 -9.273 1.00 34.42 N ATOM 2070 CA VAL A 132 -1.262 11.669 -8.639 1.00 54.13 C ATOM 2071 C VAL A 132 -1.898 10.497 -9.385 1.00 51.53 C ATOM 2072 O VAL A 132 -1.209 9.546 -9.742 1.00 10.33 O ATOM 2073 CB VAL A 132 -1.696 11.642 -7.145 1.00 4.02 C ATOM 2074 CG1 VAL A 132 -1.336 10.311 -6.491 1.00 31.31 C ATOM 2075 CG2 VAL A 132 -1.064 12.797 -6.380 1.00 54.35 C ATOM 0 H VAL A 132 -2.152 13.554 -8.693 1.00 34.42 H new ATOM 0 HA VAL A 132 -0.178 11.567 -8.680 1.00 54.13 H new ATOM 0 HB VAL A 132 -2.780 11.754 -7.111 1.00 4.02 H new ATOM 0 HG11 VAL A 132 -1.651 10.321 -5.448 1.00 31.31 H new ATOM 0 HG12 VAL A 132 -1.841 9.500 -7.015 1.00 31.31 H new ATOM 0 HG13 VAL A 132 -0.258 10.160 -6.543 1.00 31.31 H new ATOM 0 HG21 VAL A 132 -1.380 12.759 -5.338 1.00 54.35 H new ATOM 0 HG22 VAL A 132 0.022 12.717 -6.433 1.00 54.35 H new ATOM 0 HG23 VAL A 132 -1.380 13.742 -6.821 1.00 54.35 H new ATOM 2085 N SER A 133 -3.198 10.591 -9.645 1.00 30.23 N ATOM 2086 CA SER A 133 -3.930 9.531 -10.307 1.00 51.22 C ATOM 2087 C SER A 133 -3.362 9.255 -11.698 1.00 32.24 C ATOM 2088 O SER A 133 -3.195 8.098 -12.094 1.00 21.01 O ATOM 2089 CB SER A 133 -5.426 9.880 -10.368 1.00 54.35 C ATOM 2090 OG SER A 133 -5.648 11.099 -11.062 1.00 22.14 O ATOM 0 H SER A 133 -3.766 11.402 -9.402 1.00 30.23 H new ATOM 0 HA SER A 133 -3.817 8.615 -9.727 1.00 51.22 H new ATOM 0 HB2 SER A 133 -5.969 9.074 -10.863 1.00 54.35 H new ATOM 0 HB3 SER A 133 -5.824 9.958 -9.356 1.00 54.35 H new ATOM 0 HG SER A 133 -5.373 11.851 -10.498 1.00 22.14 H new ATOM 2096 N ALA A 134 -3.034 10.328 -12.412 1.00 50.04 N ATOM 2097 CA ALA A 134 -2.451 10.220 -13.730 1.00 4.01 C ATOM 2098 C ALA A 134 -1.092 9.549 -13.644 1.00 53.44 C ATOM 2099 O ALA A 134 -0.829 8.590 -14.345 1.00 4.14 O ATOM 2100 CB ALA A 134 -2.335 11.592 -14.380 1.00 3.32 C ATOM 0 H ALA A 134 -3.167 11.287 -12.089 1.00 50.04 H new ATOM 0 HA ALA A 134 -3.103 9.607 -14.352 1.00 4.01 H new ATOM 0 HB1 ALA A 134 -1.894 11.489 -15.371 1.00 3.32 H new ATOM 0 HB2 ALA A 134 -3.326 12.038 -14.468 1.00 3.32 H new ATOM 0 HB3 ALA A 134 -1.702 12.233 -13.766 1.00 3.32 H new ATOM 2106 N MET A 135 -0.259 10.048 -12.742 1.00 23.30 N ATOM 2107 CA MET A 135 1.085 9.520 -12.504 1.00 23.43 C ATOM 2108 C MET A 135 1.063 8.030 -12.177 1.00 65.55 C ATOM 2109 O MET A 135 1.890 7.279 -12.676 1.00 60.12 O ATOM 2110 CB MET A 135 1.775 10.323 -11.391 1.00 23.40 C ATOM 2111 CG MET A 135 3.142 9.806 -10.976 1.00 54.14 C ATOM 2112 SD MET A 135 3.979 10.918 -9.824 1.00 31.12 S ATOM 2113 CE MET A 135 2.831 10.957 -8.456 1.00 1.31 C ATOM 0 H MET A 135 -0.496 10.841 -12.145 1.00 23.30 H new ATOM 0 HA MET A 135 1.658 9.630 -13.424 1.00 23.43 H new ATOM 0 HB2 MET A 135 1.880 11.356 -11.721 1.00 23.40 H new ATOM 0 HB3 MET A 135 1.126 10.332 -10.515 1.00 23.40 H new ATOM 0 HG2 MET A 135 3.031 8.825 -10.514 1.00 54.14 H new ATOM 0 HG3 MET A 135 3.762 9.673 -11.863 1.00 54.14 H new ATOM 0 HE1 MET A 135 3.368 11.190 -7.537 1.00 1.31 H new ATOM 0 HE2 MET A 135 2.075 11.721 -8.637 1.00 1.31 H new ATOM 0 HE3 MET A 135 2.348 9.985 -8.358 1.00 1.31 H new ATOM 2123 N ILE A 136 0.104 7.606 -11.364 1.00 31.50 N ATOM 2124 CA ILE A 136 -0.054 6.192 -11.036 1.00 14.30 C ATOM 2125 C ILE A 136 -0.267 5.374 -12.316 1.00 21.30 C ATOM 2126 O ILE A 136 0.386 4.353 -12.526 1.00 75.41 O ATOM 2127 CB ILE A 136 -1.233 5.957 -10.038 1.00 24.41 C ATOM 2128 CG1 ILE A 136 -0.930 6.644 -8.699 1.00 62.42 C ATOM 2129 CG2 ILE A 136 -1.511 4.463 -9.836 1.00 1.21 C ATOM 2130 CD1 ILE A 136 -2.031 6.512 -7.667 1.00 3.14 C ATOM 0 H ILE A 136 -0.577 8.220 -10.918 1.00 31.50 H new ATOM 0 HA ILE A 136 0.861 5.860 -10.546 1.00 14.30 H new ATOM 0 HB ILE A 136 -2.134 6.397 -10.465 1.00 24.41 H new ATOM 0 HG12 ILE A 136 -0.011 6.225 -8.289 1.00 62.42 H new ATOM 0 HG13 ILE A 136 -0.744 7.702 -8.881 1.00 62.42 H new ATOM 0 HG21 ILE A 136 -2.337 4.338 -9.136 1.00 1.21 H new ATOM 0 HG22 ILE A 136 -1.774 4.009 -10.792 1.00 1.21 H new ATOM 0 HG23 ILE A 136 -0.620 3.978 -9.437 1.00 1.21 H new ATOM 0 HD11 ILE A 136 -1.735 7.025 -6.752 1.00 3.14 H new ATOM 0 HD12 ILE A 136 -2.947 6.958 -8.054 1.00 3.14 H new ATOM 0 HD13 ILE A 136 -2.204 5.457 -7.452 1.00 3.14 H new ATOM 2142 N GLU A 137 -1.144 5.854 -13.174 1.00 2.30 N ATOM 2143 CA GLU A 137 -1.431 5.186 -14.431 1.00 24.35 C ATOM 2144 C GLU A 137 -0.230 5.248 -15.383 1.00 4.00 C ATOM 2145 O GLU A 137 0.038 4.292 -16.119 1.00 32.33 O ATOM 2146 CB GLU A 137 -2.670 5.775 -15.077 1.00 25.45 C ATOM 2147 CG GLU A 137 -3.911 5.642 -14.218 1.00 64.44 C ATOM 2148 CD GLU A 137 -5.140 6.173 -14.889 1.00 2.04 C ATOM 2149 OE1 GLU A 137 -5.644 5.521 -15.823 1.00 33.55 O ATOM 2150 OE2 GLU A 137 -5.648 7.231 -14.477 1.00 4.41 O ATOM 0 H GLU A 137 -1.675 6.712 -13.023 1.00 2.30 H new ATOM 0 HA GLU A 137 -1.624 4.135 -14.217 1.00 24.35 H new ATOM 0 HB2 GLU A 137 -2.495 6.830 -15.290 1.00 25.45 H new ATOM 0 HB3 GLU A 137 -2.843 5.281 -16.033 1.00 25.45 H new ATOM 0 HG2 GLU A 137 -4.064 4.592 -13.968 1.00 64.44 H new ATOM 0 HG3 GLU A 137 -3.756 6.174 -13.279 1.00 64.44 H new ATOM 2157 N GLU A 138 0.489 6.369 -15.356 1.00 1.33 N ATOM 2158 CA GLU A 138 1.684 6.550 -16.171 1.00 72.24 C ATOM 2159 C GLU A 138 2.784 5.567 -15.770 1.00 30.31 C ATOM 2160 O GLU A 138 3.506 5.058 -16.608 1.00 41.14 O ATOM 2161 CB GLU A 138 2.210 7.970 -16.060 1.00 63.03 C ATOM 2162 CG GLU A 138 1.241 9.029 -16.540 1.00 51.40 C ATOM 2163 CD GLU A 138 0.788 8.818 -17.971 1.00 62.42 C ATOM 2164 OE1 GLU A 138 1.620 8.940 -18.890 1.00 21.24 O ATOM 2165 OE2 GLU A 138 -0.411 8.528 -18.200 1.00 43.25 O ATOM 0 H GLU A 138 0.259 7.172 -14.771 1.00 1.33 H new ATOM 0 HA GLU A 138 1.399 6.356 -17.205 1.00 72.24 H new ATOM 0 HB2 GLU A 138 2.465 8.171 -15.019 1.00 63.03 H new ATOM 0 HB3 GLU A 138 3.133 8.050 -16.635 1.00 63.03 H new ATOM 0 HG2 GLU A 138 0.368 9.037 -15.887 1.00 51.40 H new ATOM 0 HG3 GLU A 138 1.712 10.008 -16.455 1.00 51.40 H new ATOM 2172 N VAL A 139 2.907 5.326 -14.486 1.00 73.32 N ATOM 2173 CA VAL A 139 3.878 4.370 -13.967 1.00 62.33 C ATOM 2174 C VAL A 139 3.414 2.929 -14.244 1.00 15.14 C ATOM 2175 O VAL A 139 4.177 2.089 -14.740 1.00 12.11 O ATOM 2176 CB VAL A 139 4.105 4.570 -12.439 1.00 33.25 C ATOM 2177 CG1 VAL A 139 5.005 3.493 -11.892 1.00 44.31 C ATOM 2178 CG2 VAL A 139 4.711 5.936 -12.157 1.00 43.10 C ATOM 0 H VAL A 139 2.343 5.781 -13.768 1.00 73.32 H new ATOM 0 HA VAL A 139 4.824 4.545 -14.479 1.00 62.33 H new ATOM 0 HB VAL A 139 3.135 4.507 -11.946 1.00 33.25 H new ATOM 0 HG11 VAL A 139 5.152 3.650 -10.823 1.00 44.31 H new ATOM 0 HG12 VAL A 139 4.547 2.518 -12.056 1.00 44.31 H new ATOM 0 HG13 VAL A 139 5.969 3.531 -12.400 1.00 44.31 H new ATOM 0 HG21 VAL A 139 4.861 6.053 -11.084 1.00 43.10 H new ATOM 0 HG22 VAL A 139 5.670 6.021 -12.668 1.00 43.10 H new ATOM 0 HG23 VAL A 139 4.038 6.714 -12.517 1.00 43.10 H new ATOM 2188 N PHE A 140 2.156 2.676 -13.934 1.00 54.33 N ATOM 2189 CA PHE A 140 1.517 1.381 -14.112 1.00 23.22 C ATOM 2190 C PHE A 140 1.364 0.898 -15.538 1.00 74.14 C ATOM 2191 O PHE A 140 0.974 -0.245 -15.737 1.00 31.22 O ATOM 2192 CB PHE A 140 0.225 1.212 -13.318 1.00 61.55 C ATOM 2193 CG PHE A 140 0.431 0.725 -11.907 1.00 72.41 C ATOM 2194 CD1 PHE A 140 0.458 -0.636 -11.653 1.00 5.21 C ATOM 2195 CD2 PHE A 140 0.585 1.596 -10.845 1.00 35.23 C ATOM 2196 CE1 PHE A 140 0.626 -1.118 -10.392 1.00 43.41 C ATOM 2197 CE2 PHE A 140 0.752 1.102 -9.560 1.00 62.32 C ATOM 2198 CZ PHE A 140 0.771 -0.268 -9.350 1.00 51.24 C ATOM 0 H PHE A 140 1.533 3.382 -13.541 1.00 54.33 H new ATOM 0 HA PHE A 140 2.258 0.711 -13.676 1.00 23.22 H new ATOM 0 HB2 PHE A 140 -0.299 2.167 -13.289 1.00 61.55 H new ATOM 0 HB3 PHE A 140 -0.422 0.510 -13.843 1.00 61.55 H new ATOM 0 HD1 PHE A 140 0.343 -1.329 -12.473 1.00 5.21 H new ATOM 0 HD2 PHE A 140 0.575 2.662 -11.016 1.00 35.23 H new ATOM 0 HE1 PHE A 140 0.644 -2.184 -10.222 1.00 43.41 H new ATOM 0 HE2 PHE A 140 0.867 1.781 -8.728 1.00 62.32 H new ATOM 0 HZ PHE A 140 0.902 -0.658 -8.351 1.00 51.24 H new ATOM 2208 N GLU A 141 1.572 1.757 -16.523 1.00 1.50 N ATOM 2209 CA GLU A 141 1.451 1.339 -17.914 1.00 53.11 C ATOM 2210 C GLU A 141 2.203 0.017 -18.177 1.00 74.21 C ATOM 2211 O GLU A 141 3.320 -0.216 -17.645 1.00 30.55 O ATOM 2212 CB GLU A 141 1.931 2.412 -18.879 1.00 54.31 C ATOM 2213 CG GLU A 141 3.392 2.755 -18.751 1.00 2.52 C ATOM 2214 CD GLU A 141 3.849 3.722 -19.812 1.00 51.22 C ATOM 2215 OE1 GLU A 141 3.601 4.940 -19.685 1.00 51.24 O ATOM 2216 OE2 GLU A 141 4.464 3.279 -20.796 1.00 64.22 O ATOM 0 H GLU A 141 1.823 2.737 -16.390 1.00 1.50 H new ATOM 0 HA GLU A 141 0.388 1.176 -18.093 1.00 53.11 H new ATOM 0 HB2 GLU A 141 1.736 2.080 -19.899 1.00 54.31 H new ATOM 0 HB3 GLU A 141 1.343 3.316 -18.720 1.00 54.31 H new ATOM 0 HG2 GLU A 141 3.577 3.186 -17.767 1.00 2.52 H new ATOM 0 HG3 GLU A 141 3.984 1.842 -18.816 1.00 2.52 H new ATOM 2223 N ALA A 142 1.552 -0.838 -18.940 1.00 4.12 N ATOM 2224 CA ALA A 142 2.035 -2.167 -19.323 1.00 31.04 C ATOM 2225 C ALA A 142 1.942 -3.204 -18.185 1.00 13.12 C ATOM 2226 O ALA A 142 2.469 -4.321 -18.313 1.00 70.30 O ATOM 2227 CB ALA A 142 3.433 -2.117 -19.931 1.00 63.15 C ATOM 0 H ALA A 142 0.634 -0.626 -19.330 1.00 4.12 H new ATOM 0 HA ALA A 142 1.354 -2.513 -20.100 1.00 31.04 H new ATOM 0 HB1 ALA A 142 3.749 -3.125 -20.199 1.00 63.15 H new ATOM 0 HB2 ALA A 142 3.420 -1.491 -20.823 1.00 63.15 H new ATOM 0 HB3 ALA A 142 4.131 -1.699 -19.205 1.00 63.15 H new ATOM 2233 N THR A 143 1.289 -2.858 -17.083 1.00 70.10 N ATOM 2234 CA THR A 143 1.072 -3.838 -16.023 1.00 41.32 C ATOM 2235 C THR A 143 -0.354 -4.368 -16.135 1.00 34.21 C ATOM 2236 O THR A 143 -1.135 -3.911 -16.986 1.00 0.43 O ATOM 2237 CB THR A 143 1.264 -3.257 -14.590 1.00 32.51 C ATOM 2238 OG1 THR A 143 0.270 -2.264 -14.322 1.00 24.42 O ATOM 2239 CG2 THR A 143 2.658 -2.659 -14.409 1.00 31.43 C ATOM 0 H THR A 143 0.908 -1.930 -16.900 1.00 70.10 H new ATOM 0 HA THR A 143 1.818 -4.622 -16.158 1.00 41.32 H new ATOM 0 HB THR A 143 1.155 -4.079 -13.882 1.00 32.51 H new ATOM 0 HG1 THR A 143 0.263 -1.604 -15.047 1.00 24.42 H new ATOM 0 HG21 THR A 143 2.756 -2.263 -13.398 1.00 31.43 H new ATOM 0 HG22 THR A 143 3.409 -3.432 -14.570 1.00 31.43 H new ATOM 0 HG23 THR A 143 2.805 -1.854 -15.129 1.00 31.43 H new ATOM 2247 N ASP A 144 -0.704 -5.295 -15.291 1.00 54.51 N ATOM 2248 CA ASP A 144 -2.042 -5.858 -15.283 1.00 30.20 C ATOM 2249 C ASP A 144 -2.651 -5.700 -13.910 1.00 50.11 C ATOM 2250 O ASP A 144 -3.621 -6.367 -13.570 1.00 61.04 O ATOM 2251 CB ASP A 144 -2.007 -7.349 -15.657 1.00 71.03 C ATOM 2252 CG ASP A 144 -1.521 -7.614 -17.064 1.00 51.51 C ATOM 2253 OD1 ASP A 144 -2.318 -7.465 -18.019 1.00 12.41 O ATOM 2254 OD2 ASP A 144 -0.346 -8.005 -17.238 1.00 12.11 O ATOM 0 H ASP A 144 -0.079 -5.688 -14.587 1.00 54.51 H new ATOM 0 HA ASP A 144 -2.645 -5.326 -16.019 1.00 30.20 H new ATOM 0 HB2 ASP A 144 -1.361 -7.875 -14.954 1.00 71.03 H new ATOM 0 HB3 ASP A 144 -3.008 -7.766 -15.544 1.00 71.03 H new ATOM 2259 N ILE A 145 -2.111 -4.778 -13.146 1.00 22.35 N ATOM 2260 CA ILE A 145 -2.478 -4.613 -11.744 1.00 32.41 C ATOM 2261 C ILE A 145 -3.609 -3.574 -11.575 1.00 53.32 C ATOM 2262 O ILE A 145 -3.621 -2.540 -12.253 1.00 71.43 O ATOM 2263 CB ILE A 145 -1.225 -4.167 -10.939 1.00 55.41 C ATOM 2264 CG1 ILE A 145 -0.050 -5.072 -11.306 1.00 2.21 C ATOM 2265 CG2 ILE A 145 -1.495 -4.247 -9.442 1.00 41.22 C ATOM 2266 CD1 ILE A 145 1.275 -4.581 -10.815 1.00 65.45 C ATOM 0 H ILE A 145 -1.405 -4.118 -13.472 1.00 22.35 H new ATOM 0 HA ILE A 145 -2.845 -5.568 -11.367 1.00 32.41 H new ATOM 0 HB ILE A 145 -0.987 -3.133 -11.188 1.00 55.41 H new ATOM 0 HG12 ILE A 145 -0.230 -6.067 -10.899 1.00 2.21 H new ATOM 0 HG13 ILE A 145 -0.009 -5.174 -12.390 1.00 2.21 H new ATOM 0 HG21 ILE A 145 -0.607 -3.931 -8.895 1.00 41.22 H new ATOM 0 HG22 ILE A 145 -2.330 -3.594 -9.187 1.00 41.22 H new ATOM 0 HG23 ILE A 145 -1.742 -5.274 -9.171 1.00 41.22 H new ATOM 0 HD11 ILE A 145 2.056 -5.279 -11.117 1.00 65.45 H new ATOM 0 HD12 ILE A 145 1.480 -3.600 -11.242 1.00 65.45 H new ATOM 0 HD13 ILE A 145 1.255 -4.506 -9.728 1.00 65.45 H new ATOM 2278 N LYS A 146 -4.563 -3.869 -10.703 1.00 14.32 N ATOM 2279 CA LYS A 146 -5.649 -2.944 -10.399 1.00 64.32 C ATOM 2280 C LYS A 146 -5.239 -2.089 -9.249 1.00 11.30 C ATOM 2281 O LYS A 146 -4.379 -2.474 -8.446 1.00 52.31 O ATOM 2282 CB LYS A 146 -6.988 -3.616 -10.000 1.00 61.32 C ATOM 2283 CG LYS A 146 -7.615 -4.579 -10.978 1.00 4.51 C ATOM 2284 CD LYS A 146 -6.858 -5.841 -10.943 1.00 62.32 C ATOM 2285 CE LYS A 146 -7.467 -6.937 -11.779 1.00 73.33 C ATOM 2286 NZ LYS A 146 -6.773 -8.222 -11.531 1.00 35.40 N ATOM 0 H LYS A 146 -4.608 -4.749 -10.189 1.00 14.32 H new ATOM 0 HA LYS A 146 -5.824 -2.389 -11.321 1.00 64.32 H new ATOM 0 HB2 LYS A 146 -6.828 -4.149 -9.062 1.00 61.32 H new ATOM 0 HB3 LYS A 146 -7.711 -2.826 -9.799 1.00 61.32 H new ATOM 0 HG2 LYS A 146 -8.659 -4.756 -10.718 1.00 4.51 H new ATOM 0 HG3 LYS A 146 -7.604 -4.158 -11.984 1.00 4.51 H new ATOM 0 HD2 LYS A 146 -5.842 -5.654 -11.290 1.00 62.32 H new ATOM 0 HD3 LYS A 146 -6.785 -6.182 -9.910 1.00 62.32 H new ATOM 0 HE2 LYS A 146 -8.526 -7.037 -11.543 1.00 73.33 H new ATOM 0 HE3 LYS A 146 -7.399 -6.678 -12.836 1.00 73.33 H new ATOM 0 HZ1 LYS A 146 -7.193 -8.964 -12.127 1.00 35.40 H new ATOM 0 HZ2 LYS A 146 -5.764 -8.122 -11.762 1.00 35.40 H new ATOM 0 HZ3 LYS A 146 -6.874 -8.484 -10.530 1.00 35.40 H new ATOM 2300 N ILE A 147 -5.846 -0.964 -9.157 1.00 34.11 N ATOM 2301 CA ILE A 147 -5.542 -0.028 -8.107 1.00 72.42 C ATOM 2302 C ILE A 147 -6.839 0.287 -7.358 1.00 33.05 C ATOM 2303 O ILE A 147 -7.786 0.827 -7.939 1.00 74.13 O ATOM 2304 CB ILE A 147 -4.993 1.315 -8.686 1.00 33.24 C ATOM 2305 CG1 ILE A 147 -3.893 1.091 -9.747 1.00 31.54 C ATOM 2306 CG2 ILE A 147 -4.487 2.212 -7.568 1.00 41.33 C ATOM 2307 CD1 ILE A 147 -2.687 0.331 -9.275 1.00 32.42 C ATOM 0 H ILE A 147 -6.572 -0.653 -9.803 1.00 34.11 H new ATOM 0 HA ILE A 147 -4.788 -0.470 -7.456 1.00 72.42 H new ATOM 0 HB ILE A 147 -5.823 1.811 -9.188 1.00 33.24 H new ATOM 0 HG12 ILE A 147 -4.330 0.558 -10.591 1.00 31.54 H new ATOM 0 HG13 ILE A 147 -3.567 2.063 -10.118 1.00 31.54 H new ATOM 0 HG21 ILE A 147 -4.109 3.143 -7.991 1.00 41.33 H new ATOM 0 HG22 ILE A 147 -5.303 2.432 -6.880 1.00 41.33 H new ATOM 0 HG23 ILE A 147 -3.686 1.706 -7.030 1.00 41.33 H new ATOM 0 HD11 ILE A 147 -1.977 0.229 -10.096 1.00 32.42 H new ATOM 0 HD12 ILE A 147 -2.216 0.870 -8.453 1.00 32.42 H new ATOM 0 HD13 ILE A 147 -2.991 -0.658 -8.933 1.00 32.42 H new ATOM 2319 N THR A 148 -6.886 -0.027 -6.105 1.00 44.01 N ATOM 2320 CA THR A 148 -8.056 0.242 -5.321 1.00 73.21 C ATOM 2321 C THR A 148 -7.715 1.239 -4.223 1.00 12.23 C ATOM 2322 O THR A 148 -6.959 0.932 -3.315 1.00 72.44 O ATOM 2323 CB THR A 148 -8.609 -1.054 -4.703 1.00 41.14 C ATOM 2324 OG1 THR A 148 -8.822 -2.023 -5.745 1.00 53.42 O ATOM 2325 CG2 THR A 148 -9.931 -0.786 -4.007 1.00 3.12 C ATOM 0 H THR A 148 -6.124 -0.474 -5.595 1.00 44.01 H new ATOM 0 HA THR A 148 -8.823 0.664 -5.970 1.00 73.21 H new ATOM 0 HB THR A 148 -7.890 -1.431 -3.975 1.00 41.14 H new ATOM 0 HG1 THR A 148 -9.173 -2.851 -5.355 1.00 53.42 H new ATOM 0 HG21 THR A 148 -10.309 -1.713 -3.575 1.00 3.12 H new ATOM 0 HG22 THR A 148 -9.783 -0.051 -3.216 1.00 3.12 H new ATOM 0 HG23 THR A 148 -10.651 -0.402 -4.729 1.00 3.12 H new ATOM 2333 N VAL A 149 -8.271 2.418 -4.316 1.00 15.51 N ATOM 2334 CA VAL A 149 -7.992 3.465 -3.370 1.00 2.13 C ATOM 2335 C VAL A 149 -9.148 3.646 -2.405 1.00 71.53 C ATOM 2336 O VAL A 149 -10.280 3.885 -2.813 1.00 12.51 O ATOM 2337 CB VAL A 149 -7.683 4.819 -4.080 1.00 53.03 C ATOM 2338 CG1 VAL A 149 -7.461 5.939 -3.068 1.00 44.25 C ATOM 2339 CG2 VAL A 149 -6.458 4.679 -4.962 1.00 31.20 C ATOM 0 H VAL A 149 -8.930 2.679 -5.050 1.00 15.51 H new ATOM 0 HA VAL A 149 -7.106 3.162 -2.813 1.00 2.13 H new ATOM 0 HB VAL A 149 -8.546 5.078 -4.693 1.00 53.03 H new ATOM 0 HG11 VAL A 149 -7.248 6.869 -3.595 1.00 44.25 H new ATOM 0 HG12 VAL A 149 -8.357 6.063 -2.461 1.00 44.25 H new ATOM 0 HG13 VAL A 149 -6.619 5.686 -2.424 1.00 44.25 H new ATOM 0 HG21 VAL A 149 -6.252 5.630 -5.452 1.00 31.20 H new ATOM 0 HG22 VAL A 149 -5.601 4.392 -4.352 1.00 31.20 H new ATOM 0 HG23 VAL A 149 -6.639 3.913 -5.717 1.00 31.20 H new ATOM 2349 N TYR A 150 -8.860 3.517 -1.145 1.00 74.11 N ATOM 2350 CA TYR A 150 -9.824 3.758 -0.108 1.00 4.51 C ATOM 2351 C TYR A 150 -9.722 5.191 0.328 1.00 73.25 C ATOM 2352 O TYR A 150 -8.636 5.682 0.642 1.00 0.21 O ATOM 2353 CB TYR A 150 -9.637 2.802 1.078 1.00 52.14 C ATOM 2354 CG TYR A 150 -10.049 1.374 0.789 1.00 23.02 C ATOM 2355 CD1 TYR A 150 -9.222 0.502 0.089 1.00 70.02 C ATOM 2356 CD2 TYR A 150 -11.276 0.902 1.223 1.00 10.21 C ATOM 2357 CE1 TYR A 150 -9.617 -0.797 -0.167 1.00 1.24 C ATOM 2358 CE2 TYR A 150 -11.673 -0.390 0.972 1.00 53.13 C ATOM 2359 CZ TYR A 150 -10.847 -1.234 0.277 1.00 20.14 C ATOM 2360 OH TYR A 150 -11.251 -2.525 0.027 1.00 71.51 O ATOM 0 H TYR A 150 -7.941 3.239 -0.802 1.00 74.11 H new ATOM 0 HA TYR A 150 -10.822 3.568 -0.503 1.00 4.51 H new ATOM 0 HB2 TYR A 150 -8.589 2.813 1.379 1.00 52.14 H new ATOM 0 HB3 TYR A 150 -10.216 3.172 1.924 1.00 52.14 H new ATOM 0 HD1 TYR A 150 -8.259 0.845 -0.259 1.00 70.02 H new ATOM 0 HD2 TYR A 150 -11.934 1.562 1.769 1.00 10.21 H new ATOM 0 HE1 TYR A 150 -8.967 -1.466 -0.711 1.00 1.24 H new ATOM 0 HE2 TYR A 150 -12.633 -0.739 1.322 1.00 53.13 H new ATOM 0 HH TYR A 150 -12.142 -2.669 0.409 1.00 71.51 H new ATOM 2370 N THR A 151 -10.826 5.860 0.353 1.00 52.10 N ATOM 2371 CA THR A 151 -10.833 7.257 0.626 1.00 2.12 C ATOM 2372 C THR A 151 -11.007 7.568 2.113 1.00 2.51 C ATOM 2373 O THR A 151 -11.980 7.147 2.760 1.00 33.25 O ATOM 2374 CB THR A 151 -11.899 7.973 -0.236 1.00 4.24 C ATOM 2375 OG1 THR A 151 -13.166 7.293 -0.114 1.00 64.44 O ATOM 2376 CG2 THR A 151 -11.476 8.001 -1.699 1.00 21.14 C ATOM 0 H THR A 151 -11.747 5.454 0.185 1.00 52.10 H new ATOM 0 HA THR A 151 -9.852 7.644 0.351 1.00 2.12 H new ATOM 0 HB THR A 151 -11.999 8.998 0.121 1.00 4.24 H new ATOM 0 HG1 THR A 151 -13.322 7.058 0.825 1.00 64.44 H new ATOM 0 HG21 THR A 151 -12.239 8.509 -2.289 1.00 21.14 H new ATOM 0 HG22 THR A 151 -10.530 8.534 -1.794 1.00 21.14 H new ATOM 0 HG23 THR A 151 -11.356 6.980 -2.063 1.00 21.14 H new