USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 743 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 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 114 THR OG1 : rot 180:sc= -0.0548 USER MOD Set 2.1: A 74 LYS NZ :NH3+ 153:sc= -0.0249 (180deg=-0.149) USER MOD Set 2.2: A 107 SER OG : rot 163:sc= 0.149 USER MOD Set 3.1: A 63 CYS SG : rot -157:sc= 0.832 USER MOD Set 3.2: A 100 CYS SG : rot 180:sc= 0.696 USER MOD Single : A 17 GLN : amide:sc= -0.72 X(o=-0.72,f=-0.6) USER MOD Single : A 24 THR OG1 : rot -74:sc= 1.73 USER MOD Single : A 25 MET CE :methyl 154:sc= -0.129 (180deg=-0.754) USER MOD Single : A 26 LYS NZ :NH3+ 158:sc= -0.0495 (180deg=-0.394) USER MOD Single : A 27 GLN : amide:sc= -0.732 K(o=-0.73,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 41:sc= 0.00989 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.917 USER MOD Single : A 44 HIS : no HD1:sc= -0.26 X(o=-0.26,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.43) USER MOD Single : A 64 HIS : no HD1:sc= -0.758 X(o=-0.76,f=-0.43) USER MOD Single : A 72 TYR OH : rot -147:sc= 0.841 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.5!) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -27:sc= 0.0723 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.0026) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.164 K(o=-0.16,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 153 N ARG A 13 1.593 5.980 -16.708 1.00 62.40 N ATOM 154 CA ARG A 13 1.916 4.693 -16.104 1.00 13.43 C ATOM 155 C ARG A 13 2.919 3.927 -16.961 1.00 51.13 C ATOM 156 O ARG A 13 2.538 3.204 -17.882 1.00 65.25 O ATOM 157 CB ARG A 13 0.646 3.860 -15.917 1.00 71.33 C ATOM 158 CG ARG A 13 -0.343 4.470 -14.938 1.00 64.41 C ATOM 159 CD ARG A 13 0.236 4.544 -13.534 1.00 64.44 C ATOM 160 NE ARG A 13 -0.802 4.723 -12.522 1.00 53.53 N ATOM 161 CZ ARG A 13 -0.558 4.762 -11.217 1.00 72.45 C ATOM 162 NH1 ARG A 13 0.683 4.636 -10.768 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 -1.556 4.926 -10.358 1.00 74.21 N ATOM 0 HA ARG A 13 2.366 4.880 -15.129 1.00 13.43 H new ATOM 0 HB2 ARG A 13 0.158 3.735 -16.884 1.00 71.33 H new ATOM 0 HB3 ARG A 13 0.922 2.865 -15.569 1.00 71.33 H new ATOM 0 HG2 ARG A 13 -0.618 5.470 -15.273 1.00 64.41 H new ATOM 0 HG3 ARG A 13 -1.257 3.876 -14.925 1.00 64.41 H new ATOM 0 HD2 ARG A 13 0.794 3.632 -13.323 1.00 64.44 H new ATOM 0 HD3 ARG A 13 0.944 5.371 -13.477 1.00 64.44 H new ATOM 0 HE ARG A 13 -1.768 4.824 -12.835 1.00 53.53 H new ATOM 0 HH11 ARG A 13 1.453 4.509 -11.425 1.00 1.02 H new ATOM 0 HH12 ARG A 13 0.868 4.666 -9.765 1.00 1.02 H new ATOM 0 HH21 ARG A 13 -2.512 5.022 -10.700 1.00 74.21 H new ATOM 0 HH22 ARG A 13 -1.367 4.956 -9.356 1.00 74.21 H new ATOM 177 N ILE A 14 4.200 4.090 -16.651 1.00 31.23 N ATOM 178 CA ILE A 14 5.257 3.413 -17.391 1.00 21.45 C ATOM 179 C ILE A 14 5.596 2.067 -16.760 1.00 33.43 C ATOM 180 O ILE A 14 5.774 1.949 -15.547 1.00 4.22 O ATOM 181 CB ILE A 14 6.535 4.270 -17.461 1.00 63.41 C ATOM 182 CG1 ILE A 14 6.224 5.638 -18.072 1.00 40.21 C ATOM 183 CG2 ILE A 14 7.609 3.556 -18.268 1.00 71.10 C ATOM 184 CD1 ILE A 14 6.704 6.799 -17.230 1.00 72.40 C ATOM 0 H ILE A 14 4.531 4.685 -15.892 1.00 31.23 H new ATOM 0 HA ILE A 14 4.880 3.254 -18.401 1.00 21.45 H new ATOM 0 HB ILE A 14 6.909 4.421 -16.448 1.00 63.41 H new ATOM 0 HG12 ILE A 14 6.685 5.700 -19.058 1.00 40.21 H new ATOM 0 HG13 ILE A 14 5.147 5.726 -18.217 1.00 40.21 H new ATOM 0 HG21 ILE A 14 8.506 4.175 -18.308 1.00 71.10 H new ATOM 0 HG22 ILE A 14 7.846 2.603 -17.795 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.246 3.378 -19.280 1.00 71.10 H new ATOM 0 HD11 ILE A 14 6.450 7.737 -17.724 1.00 72.40 H new ATOM 0 HD12 ILE A 14 6.224 6.762 -16.252 1.00 72.40 H new ATOM 0 HD13 ILE A 14 7.785 6.736 -17.106 1.00 72.40 H new ATOM 196 N PRO A 15 5.690 1.025 -17.600 1.00 52.44 N ATOM 197 CA PRO A 15 6.011 -0.331 -17.147 1.00 71.33 C ATOM 198 C PRO A 15 7.454 -0.458 -16.673 1.00 44.54 C ATOM 199 O PRO A 15 8.156 0.541 -16.521 1.00 21.35 O ATOM 200 CB PRO A 15 5.780 -1.186 -18.396 1.00 32.33 C ATOM 201 CG PRO A 15 5.972 -0.249 -19.537 1.00 35.51 C ATOM 202 CD PRO A 15 5.490 1.092 -19.057 1.00 52.11 C ATOM 0 HA PRO A 15 5.405 -0.629 -16.292 1.00 71.33 H new ATOM 0 HB2 PRO A 15 6.484 -2.017 -18.443 1.00 32.33 H new ATOM 0 HB3 PRO A 15 4.779 -1.617 -18.401 1.00 32.33 H new ATOM 0 HG2 PRO A 15 7.020 -0.204 -19.833 1.00 35.51 H new ATOM 0 HG3 PRO A 15 5.408 -0.577 -20.410 1.00 35.51 H new ATOM 0 HD2 PRO A 15 6.059 1.907 -19.504 1.00 52.11 H new ATOM 0 HD3 PRO A 15 4.443 1.257 -19.312 1.00 52.11 H new ATOM 210 N GLU A 16 7.891 -1.693 -16.443 1.00 24.10 N ATOM 211 CA GLU A 16 9.252 -1.948 -15.986 1.00 63.23 C ATOM 212 C GLU A 16 10.267 -1.243 -16.881 1.00 23.52 C ATOM 213 O GLU A 16 9.980 -0.932 -18.037 1.00 3.13 O ATOM 214 CB GLU A 16 9.532 -3.452 -15.964 1.00 12.45 C ATOM 215 CG GLU A 16 10.704 -3.840 -15.079 1.00 54.23 C ATOM 216 CD GLU A 16 10.895 -5.342 -14.987 1.00 62.22 C ATOM 217 OE1 GLU A 16 11.135 -5.973 -16.038 1.00 73.31 O ATOM 218 OE2 GLU A 16 10.803 -5.884 -13.867 1.00 11.13 O1- ATOM 0 H GLU A 16 7.323 -2.531 -16.566 1.00 24.10 H new ATOM 0 HA GLU A 16 9.349 -1.553 -14.975 1.00 63.23 H new ATOM 0 HB2 GLU A 16 8.639 -3.974 -15.620 1.00 12.45 H new ATOM 0 HB3 GLU A 16 9.728 -3.792 -16.981 1.00 12.45 H new ATOM 0 HG2 GLU A 16 11.615 -3.385 -15.469 1.00 54.23 H new ATOM 0 HG3 GLU A 16 10.548 -3.436 -14.079 1.00 54.23 H new ATOM 225 N GLN A 17 11.455 -0.996 -16.337 1.00 15.32 N ATOM 226 CA GLN A 17 12.513 -0.328 -17.086 1.00 43.30 C ATOM 227 C GLN A 17 13.270 -1.320 -17.962 1.00 14.04 C ATOM 228 O GLN A 17 13.231 -2.527 -17.725 1.00 32.12 O ATOM 229 CB GLN A 17 13.481 0.370 -16.129 1.00 2.54 C ATOM 230 CG GLN A 17 12.812 0.914 -14.877 1.00 15.05 C ATOM 231 CD GLN A 17 12.958 -0.013 -13.687 1.00 5.52 C ATOM 232 OE1 GLN A 17 11.969 -0.430 -13.086 1.00 25.01 O ATOM 233 NE2 GLN A 17 14.198 -0.341 -13.341 1.00 30.14 N ATOM 0 H GLN A 17 11.708 -1.248 -15.382 1.00 15.32 H new ATOM 0 HA GLN A 17 12.051 0.418 -17.732 1.00 43.30 H new ATOM 0 HB2 GLN A 17 14.261 -0.333 -15.838 1.00 2.54 H new ATOM 0 HB3 GLN A 17 13.971 1.190 -16.655 1.00 2.54 H new ATOM 0 HG2 GLN A 17 13.244 1.884 -14.632 1.00 15.05 H new ATOM 0 HG3 GLN A 17 11.753 1.077 -15.077 1.00 15.05 H new ATOM 0 HE21 GLN A 17 14.989 0.028 -13.868 1.00 30.14 H new ATOM 0 HE22 GLN A 17 14.359 -0.962 -12.548 1.00 30.14 H new ATOM 242 N ILE A 18 13.960 -0.803 -18.973 1.00 24.21 N ATOM 243 CA ILE A 18 14.728 -1.644 -19.883 1.00 45.03 C ATOM 244 C ILE A 18 16.040 -0.973 -20.276 1.00 53.13 C ATOM 245 O ILE A 18 16.309 0.163 -19.886 1.00 34.14 O ATOM 246 CB ILE A 18 13.928 -1.968 -21.158 1.00 12.34 C ATOM 247 CG1 ILE A 18 13.545 -0.680 -21.889 1.00 64.44 C ATOM 248 CG2 ILE A 18 12.687 -2.778 -20.814 1.00 30.13 C ATOM 249 CD1 ILE A 18 14.560 -0.246 -22.923 1.00 51.52 C ATOM 0 H ILE A 18 14.003 0.194 -19.183 1.00 24.21 H new ATOM 0 HA ILE A 18 14.942 -2.572 -19.352 1.00 45.03 H new ATOM 0 HB ILE A 18 14.555 -2.565 -21.820 1.00 12.34 H new ATOM 0 HG12 ILE A 18 12.580 -0.822 -22.376 1.00 64.44 H new ATOM 0 HG13 ILE A 18 13.419 0.119 -21.158 1.00 64.44 H new ATOM 0 HG21 ILE A 18 12.132 -2.999 -21.726 1.00 30.13 H new ATOM 0 HG22 ILE A 18 12.983 -3.711 -20.334 1.00 30.13 H new ATOM 0 HG23 ILE A 18 12.055 -2.205 -20.135 1.00 30.13 H new ATOM 0 HD11 ILE A 18 14.222 0.674 -23.401 1.00 51.52 H new ATOM 0 HD12 ILE A 18 15.521 -0.072 -22.439 1.00 51.52 H new ATOM 0 HD13 ILE A 18 14.669 -1.027 -23.676 1.00 51.52 H new ATOM 261 N ARG A 19 16.851 -1.683 -21.052 1.00 71.23 N ATOM 262 CA ARG A 19 18.136 -1.157 -21.498 1.00 75.34 C ATOM 263 C ARG A 19 18.170 -1.024 -23.019 1.00 62.41 C ATOM 264 O ARG A 19 17.740 -1.925 -23.741 1.00 51.13 O ATOM 265 CB ARG A 19 19.274 -2.065 -21.031 1.00 70.32 C ATOM 266 CG ARG A 19 20.586 -1.332 -20.809 1.00 12.13 C ATOM 267 CD ARG A 19 21.494 -2.091 -19.852 1.00 72.31 C ATOM 268 NE ARG A 19 21.176 -1.808 -18.455 1.00 22.42 N ATOM 269 CZ ARG A 19 21.522 -2.602 -17.448 1.00 11.21 C ATOM 270 NH1 ARG A 19 22.193 -3.720 -17.681 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 21.196 -2.275 -16.203 1.00 23.13 N ATOM 0 H ARG A 19 16.642 -2.624 -21.385 1.00 71.23 H new ATOM 0 HA ARG A 19 18.267 -0.168 -21.059 1.00 75.34 H new ATOM 0 HB2 ARG A 19 18.979 -2.554 -20.103 1.00 70.32 H new ATOM 0 HB3 ARG A 19 19.427 -2.851 -21.771 1.00 70.32 H new ATOM 0 HG2 ARG A 19 21.094 -1.196 -21.764 1.00 12.13 H new ATOM 0 HG3 ARG A 19 20.385 -0.338 -20.410 1.00 12.13 H new ATOM 0 HD2 ARG A 19 21.400 -3.161 -20.035 1.00 72.31 H new ATOM 0 HD3 ARG A 19 22.532 -1.824 -20.049 1.00 72.31 H new ATOM 0 HE ARG A 19 20.660 -0.954 -18.241 1.00 22.42 H new ATOM 0 HH11 ARG A 19 22.446 -3.974 -18.636 1.00 43.31 H new ATOM 0 HH12 ARG A 19 22.457 -4.327 -16.905 1.00 43.31 H new ATOM 0 HH21 ARG A 19 20.680 -1.414 -16.020 1.00 23.13 H new ATOM 0 HH22 ARG A 19 21.462 -2.885 -15.429 1.00 23.13 H new ATOM 285 N ILE A 20 18.681 0.105 -23.497 1.00 35.55 N ATOM 286 CA ILE A 20 18.771 0.355 -24.930 1.00 64.45 C ATOM 287 C ILE A 20 20.223 0.494 -25.374 1.00 32.03 C ATOM 288 O ILE A 20 21.136 0.514 -24.549 1.00 53.21 O ATOM 289 CB ILE A 20 18.000 1.629 -25.328 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.460 2.816 -24.480 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.502 1.410 -25.176 1.00 21.23 C ATOM 292 CD1 ILE A 20 18.796 4.046 -25.294 1.00 21.13 C ATOM 0 H ILE A 20 19.039 0.861 -22.913 1.00 35.55 H new ATOM 0 HA ILE A 20 18.322 -0.504 -25.429 1.00 64.45 H new ATOM 0 HB ILE A 20 18.210 1.852 -26.374 1.00 75.13 H new ATOM 0 HG12 ILE A 20 17.677 3.066 -23.765 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.336 2.522 -23.903 1.00 15.54 H new ATOM 0 HG21 ILE A 20 15.971 2.318 -25.461 1.00 21.23 H new ATOM 0 HG22 ILE A 20 16.187 0.589 -25.820 1.00 21.23 H new ATOM 0 HG23 ILE A 20 16.273 1.166 -24.139 1.00 21.23 H new ATOM 0 HD11 ILE A 20 19.114 4.848 -24.628 1.00 21.13 H new ATOM 0 HD12 ILE A 20 19.601 3.812 -25.991 1.00 21.13 H new ATOM 0 HD13 ILE A 20 17.915 4.366 -25.851 1.00 21.13 H new ATOM 304 N PHE A 21 20.429 0.592 -26.683 1.00 73.53 N ATOM 305 CA PHE A 21 21.770 0.730 -27.237 1.00 64.54 C ATOM 306 C PHE A 21 21.844 1.917 -28.194 1.00 32.43 C ATOM 307 O PHE A 21 20.985 2.084 -29.061 1.00 22.23 O ATOM 308 CB PHE A 21 22.180 -0.552 -27.965 1.00 22.21 C ATOM 309 CG PHE A 21 22.999 -1.485 -27.120 1.00 75.22 C ATOM 310 CD1 PHE A 21 22.384 -2.395 -26.274 1.00 21.22 C ATOM 311 CD2 PHE A 21 24.383 -1.452 -27.170 1.00 14.32 C ATOM 312 CE1 PHE A 21 23.136 -3.255 -25.495 1.00 63.25 C ATOM 313 CE2 PHE A 21 25.139 -2.310 -26.395 1.00 44.12 C ATOM 314 CZ PHE A 21 24.515 -3.212 -25.556 1.00 20.14 C ATOM 0 H PHE A 21 19.684 0.578 -27.380 1.00 73.53 H new ATOM 0 HA PHE A 21 22.460 0.907 -26.412 1.00 64.54 H new ATOM 0 HB2 PHE A 21 21.283 -1.072 -28.301 1.00 22.21 H new ATOM 0 HB3 PHE A 21 22.749 -0.288 -28.857 1.00 22.21 H new ATOM 0 HD1 PHE A 21 21.306 -2.433 -26.223 1.00 21.22 H new ATOM 0 HD2 PHE A 21 24.877 -0.747 -27.823 1.00 14.32 H new ATOM 0 HE1 PHE A 21 22.646 -3.960 -24.840 1.00 63.25 H new ATOM 0 HE2 PHE A 21 26.217 -2.275 -26.445 1.00 44.12 H new ATOM 0 HZ PHE A 21 25.104 -3.883 -24.949 1.00 20.14 H new ATOM 324 N PHE A 22 22.876 2.739 -28.031 1.00 34.14 N ATOM 325 CA PHE A 22 23.061 3.911 -28.878 1.00 71.33 C ATOM 326 C PHE A 22 24.144 3.659 -29.924 1.00 24.13 C ATOM 327 O PHE A 22 25.336 3.660 -29.614 1.00 42.03 O ATOM 328 CB PHE A 22 23.431 5.127 -28.028 1.00 34.11 C ATOM 329 CG PHE A 22 22.247 5.963 -27.631 1.00 21.32 C ATOM 330 CD1 PHE A 22 22.009 6.261 -26.299 1.00 55.45 C ATOM 331 CD2 PHE A 22 21.372 6.448 -28.589 1.00 11.41 C ATOM 332 CE1 PHE A 22 20.920 7.029 -25.929 1.00 43.04 C ATOM 333 CE2 PHE A 22 20.282 7.217 -28.226 1.00 34.04 C ATOM 334 CZ PHE A 22 20.055 7.506 -26.894 1.00 31.31 C ATOM 0 H PHE A 22 23.597 2.615 -27.320 1.00 34.14 H new ATOM 0 HA PHE A 22 22.121 4.109 -29.393 1.00 71.33 H new ATOM 0 HB2 PHE A 22 23.945 4.789 -27.128 1.00 34.11 H new ATOM 0 HB3 PHE A 22 24.135 5.748 -28.583 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.682 5.889 -25.541 1.00 55.45 H new ATOM 0 HD2 PHE A 22 21.543 6.223 -29.631 1.00 11.41 H new ATOM 0 HE1 PHE A 22 20.746 7.255 -24.887 1.00 43.04 H new ATOM 0 HE2 PHE A 22 19.609 7.591 -28.983 1.00 34.04 H new ATOM 0 HZ PHE A 22 19.202 8.104 -26.608 1.00 31.31 H new ATOM 344 N LYS A 23 23.721 3.443 -31.165 1.00 30.42 N ATOM 345 CA LYS A 23 24.652 3.191 -32.258 1.00 1.30 C ATOM 346 C LYS A 23 24.925 4.468 -33.047 1.00 12.33 C ATOM 347 O LYS A 23 23.997 5.164 -33.463 1.00 50.24 O ATOM 348 CB LYS A 23 24.095 2.113 -33.191 1.00 51.30 C ATOM 349 CG LYS A 23 25.146 1.483 -34.089 1.00 73.32 C ATOM 350 CD LYS A 23 25.229 2.192 -35.431 1.00 53.34 C ATOM 351 CE LYS A 23 25.829 1.293 -36.501 1.00 11.44 C ATOM 352 NZ LYS A 23 24.810 0.385 -37.099 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.738 3.437 -31.439 1.00 30.42 H new ATOM 0 HA LYS A 23 25.591 2.843 -31.828 1.00 1.30 H new ATOM 0 HB2 LYS A 23 23.626 1.333 -32.592 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.313 2.551 -33.812 1.00 51.30 H new ATOM 0 HG2 LYS A 23 26.117 1.520 -33.596 1.00 73.32 H new ATOM 0 HG3 LYS A 23 24.909 0.431 -34.246 1.00 73.32 H new ATOM 0 HD2 LYS A 23 24.232 2.509 -35.738 1.00 53.34 H new ATOM 0 HD3 LYS A 23 25.834 3.093 -35.331 1.00 53.34 H new ATOM 0 HE2 LYS A 23 26.272 1.907 -37.285 1.00 11.44 H new ATOM 0 HE3 LYS A 23 26.634 0.700 -36.067 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 25.259 -0.211 -37.824 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 24.405 -0.219 -36.356 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 24.054 0.951 -37.536 1.00 75.34 H new ATOM 366 N THR A 24 26.203 4.770 -33.250 1.00 1.24 N ATOM 367 CA THR A 24 26.598 5.963 -33.988 1.00 41.43 C ATOM 368 C THR A 24 27.461 5.604 -35.192 1.00 55.05 C ATOM 369 O THR A 24 27.707 4.429 -35.462 1.00 23.40 O ATOM 370 CB THR A 24 27.372 6.949 -33.092 1.00 24.11 C ATOM 371 OG1 THR A 24 28.701 6.464 -32.865 1.00 65.51 O ATOM 372 CG2 THR A 24 26.663 7.139 -31.759 1.00 50.11 C ATOM 0 H THR A 24 26.983 4.205 -32.914 1.00 1.24 H new ATOM 0 HA THR A 24 25.680 6.440 -34.331 1.00 41.43 H new ATOM 0 HB THR A 24 27.418 7.911 -33.602 1.00 24.11 H new ATOM 0 HG1 THR A 24 28.672 5.713 -32.236 1.00 65.51 H new ATOM 0 HG21 THR A 24 27.228 7.839 -31.143 1.00 50.11 H new ATOM 0 HG22 THR A 24 25.662 7.534 -31.932 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.591 6.180 -31.245 1.00 50.11 H new ATOM 380 N MET A 25 27.918 6.623 -35.912 1.00 73.10 N ATOM 381 CA MET A 25 28.757 6.414 -37.087 1.00 52.45 C ATOM 382 C MET A 25 30.179 6.046 -36.681 1.00 2.30 C ATOM 383 O MET A 25 30.952 5.526 -37.487 1.00 33.11 O ATOM 384 CB MET A 25 28.771 7.671 -37.960 1.00 30.23 C ATOM 385 CG MET A 25 27.765 7.633 -39.097 1.00 63.33 C ATOM 386 SD MET A 25 28.329 6.640 -40.492 1.00 45.42 S ATOM 387 CE MET A 25 27.333 5.166 -40.285 1.00 4.22 C ATOM 0 H MET A 25 27.722 7.602 -35.703 1.00 73.10 H new ATOM 0 HA MET A 25 28.337 5.587 -37.660 1.00 52.45 H new ATOM 0 HB2 MET A 25 28.567 8.540 -37.334 1.00 30.23 H new ATOM 0 HB3 MET A 25 29.770 7.804 -38.374 1.00 30.23 H new ATOM 0 HG2 MET A 25 26.821 7.231 -38.728 1.00 63.33 H new ATOM 0 HG3 MET A 25 27.568 8.650 -39.436 1.00 63.33 H new ATOM 0 HE1 MET A 25 27.203 4.676 -41.250 1.00 4.22 H new ATOM 0 HE2 MET A 25 27.831 4.484 -39.596 1.00 4.22 H new ATOM 0 HE3 MET A 25 26.358 5.439 -39.883 1.00 4.22 H new ATOM 397 N LYS A 26 30.522 6.318 -35.426 1.00 24.12 N ATOM 398 CA LYS A 26 31.852 6.015 -34.913 1.00 45.31 C ATOM 399 C LYS A 26 31.860 4.676 -34.181 1.00 52.32 C ATOM 400 O LYS A 26 32.822 3.915 -34.274 1.00 42.42 O ATOM 401 CB LYS A 26 32.323 7.125 -33.970 1.00 13.34 C ATOM 402 CG LYS A 26 33.789 7.018 -33.587 1.00 61.12 C ATOM 403 CD LYS A 26 34.690 7.603 -34.660 1.00 13.14 C ATOM 404 CE LYS A 26 34.753 9.120 -34.568 1.00 42.23 C ATOM 405 NZ LYS A 26 35.447 9.573 -33.331 1.00 4.53 N1+ ATOM 0 H LYS A 26 29.896 6.748 -34.745 1.00 24.12 H new ATOM 0 HA LYS A 26 32.535 5.952 -35.760 1.00 45.31 H new ATOM 0 HB2 LYS A 26 32.150 8.091 -34.445 1.00 13.34 H new ATOM 0 HB3 LYS A 26 31.717 7.102 -33.064 1.00 13.34 H new ATOM 0 HG2 LYS A 26 33.959 7.539 -32.645 1.00 61.12 H new ATOM 0 HG3 LYS A 26 34.048 5.972 -33.424 1.00 61.12 H new ATOM 0 HD2 LYS A 26 35.693 7.189 -34.559 1.00 13.14 H new ATOM 0 HD3 LYS A 26 34.322 7.312 -35.644 1.00 13.14 H new ATOM 0 HE2 LYS A 26 35.272 9.515 -35.441 1.00 42.23 H new ATOM 0 HE3 LYS A 26 33.742 9.527 -34.587 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 35.800 10.542 -33.466 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 34.781 9.555 -32.533 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 36.246 8.939 -33.129 1.00 4.53 H new ATOM 419 N GLN A 27 30.782 4.397 -33.455 1.00 23.51 N ATOM 420 CA GLN A 27 30.667 3.149 -32.709 1.00 54.41 C ATOM 421 C GLN A 27 29.340 3.084 -31.959 1.00 32.12 C ATOM 422 O GLN A 27 28.558 4.035 -31.976 1.00 31.42 O ATOM 423 CB GLN A 27 31.829 3.009 -31.724 1.00 35.15 C ATOM 424 CG GLN A 27 32.098 4.270 -30.918 1.00 31.13 C ATOM 425 CD GLN A 27 32.835 3.988 -29.623 1.00 41.01 C ATOM 426 OE1 GLN A 27 34.001 3.594 -29.632 1.00 14.54 O ATOM 427 NE2 GLN A 27 32.155 4.189 -28.500 1.00 44.23 N ATOM 0 H GLN A 27 29.977 5.017 -33.367 1.00 23.51 H new ATOM 0 HA GLN A 27 30.703 2.325 -33.422 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.617 2.188 -31.039 1.00 35.15 H new ATOM 0 HB3 GLN A 27 32.731 2.740 -32.274 1.00 35.15 H new ATOM 0 HG2 GLN A 27 32.683 4.964 -31.521 1.00 31.13 H new ATOM 0 HG3 GLN A 27 31.152 4.762 -30.693 1.00 31.13 H new ATOM 0 HE21 GLN A 27 31.190 4.516 -28.540 1.00 44.23 H new ATOM 0 HE22 GLN A 27 32.598 4.016 -27.598 1.00 44.23 H new ATOM 436 N VAL A 28 29.091 1.955 -31.304 1.00 3.05 N ATOM 437 CA VAL A 28 27.859 1.765 -30.547 1.00 24.14 C ATOM 438 C VAL A 28 28.142 1.659 -29.053 1.00 72.01 C ATOM 439 O VAL A 28 29.021 0.907 -28.629 1.00 14.41 O ATOM 440 CB VAL A 28 27.106 0.504 -31.008 1.00 50.21 C ATOM 441 CG1 VAL A 28 27.935 -0.742 -30.735 1.00 4.54 C ATOM 442 CG2 VAL A 28 25.751 0.413 -30.323 1.00 44.43 C ATOM 0 H VAL A 28 29.726 1.157 -31.282 1.00 3.05 H new ATOM 0 HA VAL A 28 27.235 2.639 -30.733 1.00 24.14 H new ATOM 0 HB VAL A 28 26.940 0.573 -32.083 1.00 50.21 H new ATOM 0 HG11 VAL A 28 27.387 -1.624 -31.067 1.00 4.54 H new ATOM 0 HG12 VAL A 28 28.879 -0.677 -31.276 1.00 4.54 H new ATOM 0 HG13 VAL A 28 28.134 -0.820 -29.666 1.00 4.54 H new ATOM 0 HG21 VAL A 28 25.232 -0.484 -30.660 1.00 44.43 H new ATOM 0 HG22 VAL A 28 25.892 0.366 -29.243 1.00 44.43 H new ATOM 0 HG23 VAL A 28 25.157 1.292 -30.574 1.00 44.43 H new ATOM 452 N VAL A 29 27.392 2.415 -28.257 1.00 62.35 N ATOM 453 CA VAL A 29 27.561 2.404 -26.810 1.00 73.41 C ATOM 454 C VAL A 29 26.266 2.005 -26.108 1.00 41.43 C ATOM 455 O VAL A 29 25.165 2.241 -26.605 1.00 63.42 O ATOM 456 CB VAL A 29 28.011 3.780 -26.287 1.00 24.34 C ATOM 457 CG1 VAL A 29 29.513 3.954 -26.463 1.00 32.35 C ATOM 458 CG2 VAL A 29 27.252 4.893 -26.993 1.00 63.42 C ATOM 0 H VAL A 29 26.661 3.043 -28.591 1.00 62.35 H new ATOM 0 HA VAL A 29 28.334 1.668 -26.588 1.00 73.41 H new ATOM 0 HB VAL A 29 27.785 3.835 -25.222 1.00 24.34 H new ATOM 0 HG11 VAL A 29 29.812 4.933 -26.088 1.00 32.35 H new ATOM 0 HG12 VAL A 29 30.037 3.176 -25.907 1.00 32.35 H new ATOM 0 HG13 VAL A 29 29.767 3.878 -27.520 1.00 32.35 H new ATOM 0 HG21 VAL A 29 27.583 5.859 -26.611 1.00 63.42 H new ATOM 0 HG22 VAL A 29 27.445 4.842 -28.065 1.00 63.42 H new ATOM 0 HG23 VAL A 29 26.184 4.777 -26.810 1.00 63.42 H new ATOM 468 N PRO A 30 26.401 1.386 -24.927 1.00 73.00 N ATOM 469 CA PRO A 30 25.252 0.942 -24.130 1.00 3.14 C ATOM 470 C PRO A 30 24.469 2.111 -23.541 1.00 71.14 C ATOM 471 O PRO A 30 25.022 3.186 -23.309 1.00 11.03 O ATOM 472 CB PRO A 30 25.894 0.111 -23.016 1.00 20.11 C ATOM 473 CG PRO A 30 27.277 0.649 -22.891 1.00 44.03 C ATOM 474 CD PRO A 30 27.683 1.073 -24.275 1.00 41.22 C ATOM 0 HA PRO A 30 24.528 0.389 -24.729 1.00 3.14 H new ATOM 0 HB2 PRO A 30 25.344 0.211 -22.080 1.00 20.11 H new ATOM 0 HB3 PRO A 30 25.903 -0.949 -23.268 1.00 20.11 H new ATOM 0 HG2 PRO A 30 27.307 1.492 -22.200 1.00 44.03 H new ATOM 0 HG3 PRO A 30 27.956 -0.108 -22.500 1.00 44.03 H new ATOM 0 HD2 PRO A 30 28.344 1.939 -24.252 1.00 41.22 H new ATOM 0 HD3 PRO A 30 28.216 0.279 -24.798 1.00 41.22 H new ATOM 482 N ALA A 31 23.181 1.892 -23.301 1.00 53.34 N ATOM 483 CA ALA A 31 22.323 2.926 -22.735 1.00 43.44 C ATOM 484 C ALA A 31 21.277 2.323 -21.804 1.00 41.51 C ATOM 485 O ALA A 31 20.719 1.261 -22.084 1.00 52.01 O ATOM 486 CB ALA A 31 21.649 3.717 -23.846 1.00 11.05 C ATOM 0 H ALA A 31 22.708 1.008 -23.490 1.00 53.34 H new ATOM 0 HA ALA A 31 22.947 3.601 -22.149 1.00 43.44 H new ATOM 0 HB1 ALA A 31 21.011 4.486 -23.410 1.00 11.05 H new ATOM 0 HB2 ALA A 31 22.409 4.187 -24.470 1.00 11.05 H new ATOM 0 HB3 ALA A 31 21.043 3.046 -24.455 1.00 11.05 H new ATOM 492 N LYS A 32 21.015 3.006 -20.695 1.00 42.21 N ATOM 493 CA LYS A 32 20.035 2.539 -19.721 1.00 42.03 C ATOM 494 C LYS A 32 18.748 3.353 -19.811 1.00 53.43 C ATOM 495 O LYS A 32 18.774 4.581 -19.745 1.00 15.15 O ATOM 496 CB LYS A 32 20.610 2.627 -18.306 1.00 10.13 C ATOM 497 CG LYS A 32 21.242 3.973 -17.990 1.00 15.14 C ATOM 498 CD LYS A 32 21.788 4.012 -16.572 1.00 43.25 C ATOM 499 CE LYS A 32 22.695 5.214 -16.358 1.00 41.14 C ATOM 500 NZ LYS A 32 22.935 5.478 -14.912 1.00 23.12 N1+ ATOM 0 H LYS A 32 21.468 3.886 -20.448 1.00 42.21 H new ATOM 0 HA LYS A 32 19.802 1.498 -19.947 1.00 42.03 H new ATOM 0 HB2 LYS A 32 19.815 2.430 -17.587 1.00 10.13 H new ATOM 0 HB3 LYS A 32 21.358 1.844 -18.177 1.00 10.13 H new ATOM 0 HG2 LYS A 32 22.047 4.173 -18.697 1.00 15.14 H new ATOM 0 HG3 LYS A 32 20.502 4.763 -18.118 1.00 15.14 H new ATOM 0 HD2 LYS A 32 20.961 4.048 -15.863 1.00 43.25 H new ATOM 0 HD3 LYS A 32 22.342 3.096 -16.369 1.00 43.25 H new ATOM 0 HE2 LYS A 32 23.648 5.044 -16.859 1.00 41.14 H new ATOM 0 HE3 LYS A 32 22.246 6.094 -16.818 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 23.558 6.305 -14.809 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 22.028 5.666 -14.438 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 23.387 4.648 -14.478 1.00 23.12 H new ATOM 514 N ALA A 33 17.624 2.660 -19.960 1.00 74.42 N ATOM 515 CA ALA A 33 16.327 3.318 -20.055 1.00 62.44 C ATOM 516 C ALA A 33 15.517 3.120 -18.779 1.00 33.43 C ATOM 517 O ALA A 33 15.158 1.997 -18.427 1.00 52.11 O ATOM 518 CB ALA A 33 15.557 2.795 -21.259 1.00 44.12 C ATOM 0 H ALA A 33 17.586 1.642 -20.018 1.00 74.42 H new ATOM 0 HA ALA A 33 16.497 4.387 -20.183 1.00 62.44 H new ATOM 0 HB1 ALA A 33 14.590 3.295 -21.318 1.00 44.12 H new ATOM 0 HB2 ALA A 33 16.124 2.994 -22.168 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.404 1.721 -21.155 1.00 44.12 H new ATOM 524 N VAL A 34 15.232 4.220 -18.088 1.00 63.33 N ATOM 525 CA VAL A 34 14.463 4.168 -16.851 1.00 45.44 C ATOM 526 C VAL A 34 13.054 4.709 -17.056 1.00 54.42 C ATOM 527 O VAL A 34 12.849 5.673 -17.795 1.00 75.20 O ATOM 528 CB VAL A 34 15.150 4.970 -15.729 1.00 12.22 C ATOM 529 CG1 VAL A 34 15.318 6.425 -16.138 1.00 2.34 C ATOM 530 CG2 VAL A 34 14.360 4.859 -14.434 1.00 72.31 C ATOM 0 H VAL A 34 15.523 5.158 -18.365 1.00 63.33 H new ATOM 0 HA VAL A 34 14.407 3.120 -16.558 1.00 45.44 H new ATOM 0 HB VAL A 34 16.141 4.549 -15.560 1.00 12.22 H new ATOM 0 HG11 VAL A 34 15.805 6.975 -15.333 1.00 2.34 H new ATOM 0 HG12 VAL A 34 15.930 6.482 -17.038 1.00 2.34 H new ATOM 0 HG13 VAL A 34 14.340 6.862 -16.336 1.00 2.34 H new ATOM 0 HG21 VAL A 34 14.860 5.432 -13.653 1.00 72.31 H new ATOM 0 HG22 VAL A 34 13.355 5.253 -14.586 1.00 72.31 H new ATOM 0 HG23 VAL A 34 14.298 3.813 -14.134 1.00 72.31 H new ATOM 540 N CYS A 35 12.084 4.083 -16.399 1.00 52.54 N ATOM 541 CA CYS A 35 10.691 4.501 -16.509 1.00 31.55 C ATOM 542 C CYS A 35 10.541 5.982 -16.178 1.00 12.13 C ATOM 543 O CYS A 35 10.871 6.419 -15.076 1.00 51.25 O ATOM 544 CB CYS A 35 9.811 3.666 -15.578 1.00 11.41 C ATOM 545 SG CYS A 35 10.397 3.600 -13.869 1.00 13.12 S ATOM 0 H CYS A 35 12.237 3.284 -15.784 1.00 52.54 H new ATOM 0 HA CYS A 35 10.370 4.343 -17.538 1.00 31.55 H new ATOM 0 HB2 CYS A 35 8.800 4.074 -15.589 1.00 11.41 H new ATOM 0 HB3 CYS A 35 9.749 2.650 -15.969 1.00 11.41 H new ATOM 0 HG CYS A 35 10.830 4.773 -13.513 1.00 13.12 H new ATOM 551 N GLY A 36 10.041 6.752 -17.140 1.00 33.13 N ATOM 552 CA GLY A 36 9.857 8.176 -16.932 1.00 22.01 C ATOM 553 C GLY A 36 10.879 9.008 -17.681 1.00 2.31 C ATOM 554 O GLY A 36 10.813 10.237 -17.675 1.00 12.12 O ATOM 0 H GLY A 36 9.760 6.414 -18.060 1.00 33.13 H new ATOM 0 HA2 GLY A 36 8.855 8.461 -17.254 1.00 22.01 H new ATOM 0 HA3 GLY A 36 9.924 8.396 -15.867 1.00 22.01 H new ATOM 558 N SER A 37 11.829 8.337 -18.325 1.00 14.13 N ATOM 559 CA SER A 37 12.873 9.022 -19.076 1.00 31.10 C ATOM 560 C SER A 37 12.631 8.902 -20.578 1.00 73.20 C ATOM 561 O SER A 37 11.628 8.334 -21.013 1.00 73.03 O ATOM 562 CB SER A 37 14.247 8.449 -18.722 1.00 61.42 C ATOM 563 OG SER A 37 15.005 9.374 -17.963 1.00 54.42 O ATOM 0 H SER A 37 11.897 7.319 -18.341 1.00 14.13 H new ATOM 0 HA SER A 37 12.847 10.077 -18.805 1.00 31.10 H new ATOM 0 HB2 SER A 37 14.125 7.525 -18.158 1.00 61.42 H new ATOM 0 HB3 SER A 37 14.785 8.196 -19.635 1.00 61.42 H new ATOM 0 HG SER A 37 15.878 8.984 -17.748 1.00 54.42 H new ATOM 569 N THR A 38 13.557 9.439 -21.366 1.00 25.44 N ATOM 570 CA THR A 38 13.445 9.392 -22.818 1.00 13.34 C ATOM 571 C THR A 38 14.788 9.071 -23.464 1.00 44.22 C ATOM 572 O THR A 38 15.843 9.329 -22.885 1.00 73.14 O ATOM 573 CB THR A 38 12.922 10.727 -23.384 1.00 44.44 C ATOM 574 OG1 THR A 38 13.953 11.718 -23.332 1.00 11.42 O ATOM 575 CG2 THR A 38 11.709 11.208 -22.603 1.00 11.40 C ATOM 0 H THR A 38 14.393 9.912 -21.023 1.00 25.44 H new ATOM 0 HA THR A 38 12.733 8.601 -23.054 1.00 13.34 H new ATOM 0 HB THR A 38 12.626 10.566 -24.420 1.00 44.44 H new ATOM 0 HG1 THR A 38 13.613 12.563 -23.695 1.00 11.42 H new ATOM 0 HG21 THR A 38 11.358 12.152 -23.021 1.00 11.40 H new ATOM 0 HG22 THR A 38 10.915 10.464 -22.669 1.00 11.40 H new ATOM 0 HG23 THR A 38 11.983 11.354 -21.558 1.00 11.40 H new ATOM 583 N VAL A 39 14.742 8.507 -24.667 1.00 70.42 N ATOM 584 CA VAL A 39 15.956 8.152 -25.391 1.00 33.14 C ATOM 585 C VAL A 39 16.905 9.341 -25.490 1.00 42.12 C ATOM 586 O VAL A 39 18.041 9.283 -25.017 1.00 10.21 O ATOM 587 CB VAL A 39 15.634 7.647 -26.811 1.00 65.42 C ATOM 588 CG1 VAL A 39 16.906 7.219 -27.526 1.00 4.01 C ATOM 589 CG2 VAL A 39 14.634 6.503 -26.756 1.00 35.23 C ATOM 0 H VAL A 39 13.877 8.286 -25.160 1.00 70.42 H new ATOM 0 HA VAL A 39 16.438 7.352 -24.828 1.00 33.14 H new ATOM 0 HB VAL A 39 15.185 8.465 -27.375 1.00 65.42 H new ATOM 0 HG11 VAL A 39 16.659 6.865 -28.527 1.00 4.01 H new ATOM 0 HG12 VAL A 39 17.586 8.068 -27.598 1.00 4.01 H new ATOM 0 HG13 VAL A 39 17.386 6.417 -26.966 1.00 4.01 H new ATOM 0 HG21 VAL A 39 14.418 6.159 -27.768 1.00 35.23 H new ATOM 0 HG22 VAL A 39 15.053 5.681 -26.175 1.00 35.23 H new ATOM 0 HG23 VAL A 39 13.713 6.847 -26.286 1.00 35.23 H new ATOM 599 N LEU A 40 16.432 10.419 -26.105 1.00 4.40 N ATOM 600 CA LEU A 40 17.238 11.624 -26.265 1.00 4.13 C ATOM 601 C LEU A 40 17.782 12.097 -24.921 1.00 3.52 C ATOM 602 O LEU A 40 18.901 12.605 -24.837 1.00 65.40 O ATOM 603 CB LEU A 40 16.409 12.734 -26.911 1.00 11.34 C ATOM 604 CG LEU A 40 14.988 12.910 -26.374 1.00 34.30 C ATOM 605 CD1 LEU A 40 14.706 14.374 -26.076 1.00 31.55 C ATOM 606 CD2 LEU A 40 13.972 12.361 -27.366 1.00 22.30 C ATOM 0 H LEU A 40 15.494 10.483 -26.501 1.00 4.40 H new ATOM 0 HA LEU A 40 18.081 11.384 -26.914 1.00 4.13 H new ATOM 0 HB2 LEU A 40 16.942 13.677 -26.787 1.00 11.34 H new ATOM 0 HB3 LEU A 40 16.350 12.539 -27.982 1.00 11.34 H new ATOM 0 HG LEU A 40 14.900 12.348 -25.444 1.00 34.30 H new ATOM 0 HD11 LEU A 40 13.690 14.479 -25.695 1.00 31.55 H new ATOM 0 HD12 LEU A 40 15.413 14.736 -25.329 1.00 31.55 H new ATOM 0 HD13 LEU A 40 14.813 14.958 -26.990 1.00 31.55 H new ATOM 0 HD21 LEU A 40 12.966 12.494 -26.968 1.00 22.30 H new ATOM 0 HD22 LEU A 40 14.062 12.895 -28.312 1.00 22.30 H new ATOM 0 HD23 LEU A 40 14.160 11.300 -27.529 1.00 22.30 H new ATOM 618 N ASP A 41 16.986 11.925 -23.872 1.00 72.45 N ATOM 619 CA ASP A 41 17.389 12.331 -22.531 1.00 42.14 C ATOM 620 C ASP A 41 18.453 11.390 -21.974 1.00 25.23 C ATOM 621 O ASP A 41 19.260 11.778 -21.130 1.00 10.41 O ATOM 622 CB ASP A 41 16.178 12.360 -21.598 1.00 13.44 C ATOM 623 CG ASP A 41 16.532 12.838 -20.204 1.00 24.42 C ATOM 624 OD1 ASP A 41 15.888 12.378 -19.237 1.00 41.20 O ATOM 625 OD2 ASP A 41 17.455 13.669 -20.078 1.00 64.23 O1- ATOM 0 H ASP A 41 16.057 11.507 -23.924 1.00 72.45 H new ATOM 0 HA ASP A 41 17.813 13.333 -22.594 1.00 42.14 H new ATOM 0 HB2 ASP A 41 15.414 13.013 -22.020 1.00 13.44 H new ATOM 0 HB3 ASP A 41 15.746 11.361 -21.538 1.00 13.44 H new ATOM 630 N VAL A 42 18.448 10.150 -22.453 1.00 2.11 N ATOM 631 CA VAL A 42 19.411 9.152 -22.004 1.00 13.25 C ATOM 632 C VAL A 42 20.780 9.390 -22.631 1.00 11.24 C ATOM 633 O VAL A 42 21.801 9.375 -21.944 1.00 54.34 O ATOM 634 CB VAL A 42 18.944 7.725 -22.346 1.00 43.20 C ATOM 635 CG1 VAL A 42 20.006 6.707 -21.960 1.00 3.53 C ATOM 636 CG2 VAL A 42 17.624 7.418 -21.654 1.00 61.21 C ATOM 0 H VAL A 42 17.787 9.813 -23.153 1.00 2.11 H new ATOM 0 HA VAL A 42 19.487 9.251 -20.921 1.00 13.25 H new ATOM 0 HB VAL A 42 18.789 7.661 -23.423 1.00 43.20 H new ATOM 0 HG11 VAL A 42 19.657 5.705 -22.210 1.00 3.53 H new ATOM 0 HG12 VAL A 42 20.926 6.917 -22.505 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.197 6.768 -20.889 1.00 3.53 H new ATOM 0 HG21 VAL A 42 17.308 6.406 -21.906 1.00 61.21 H new ATOM 0 HG22 VAL A 42 17.751 7.500 -20.575 1.00 61.21 H new ATOM 0 HG23 VAL A 42 16.866 8.128 -21.985 1.00 61.21 H new ATOM 646 N ALA A 43 20.795 9.612 -23.942 1.00 21.42 N ATOM 647 CA ALA A 43 22.038 9.856 -24.662 1.00 20.42 C ATOM 648 C ALA A 43 22.848 10.964 -23.998 1.00 42.52 C ATOM 649 O ALA A 43 24.078 10.975 -24.067 1.00 14.32 O ATOM 650 CB ALA A 43 21.747 10.208 -26.114 1.00 62.22 C ATOM 0 H ALA A 43 19.959 9.628 -24.527 1.00 21.42 H new ATOM 0 HA ALA A 43 22.631 8.942 -24.634 1.00 20.42 H new ATOM 0 HB1 ALA A 43 22.685 10.388 -26.640 1.00 62.22 H new ATOM 0 HB2 ALA A 43 21.217 9.383 -26.589 1.00 62.22 H new ATOM 0 HB3 ALA A 43 21.131 11.106 -26.154 1.00 62.22 H new ATOM 656 N HIS A 44 22.152 11.897 -23.358 1.00 12.51 N ATOM 657 CA HIS A 44 22.808 13.011 -22.682 1.00 50.24 C ATOM 658 C HIS A 44 23.556 12.530 -21.443 1.00 54.31 C ATOM 659 O HIS A 44 24.633 13.033 -21.121 1.00 12.45 O ATOM 660 CB HIS A 44 21.780 14.074 -22.291 1.00 75.20 C ATOM 661 CG HIS A 44 22.381 15.268 -21.614 1.00 61.53 C ATOM 662 ND1 HIS A 44 21.672 16.082 -20.756 1.00 44.12 N ATOM 663 CD2 HIS A 44 23.632 15.782 -21.672 1.00 13.23 C ATOM 664 CE1 HIS A 44 22.460 17.047 -20.318 1.00 32.52 C ATOM 665 NE2 HIS A 44 23.656 16.887 -20.858 1.00 53.52 N ATOM 0 H HIS A 44 21.134 11.904 -23.293 1.00 12.51 H new ATOM 0 HA HIS A 44 23.529 13.449 -23.372 1.00 50.24 H new ATOM 0 HB2 HIS A 44 21.250 14.402 -23.185 1.00 75.20 H new ATOM 0 HB3 HIS A 44 21.040 13.625 -21.629 1.00 75.20 H new ATOM 0 HD2 HIS A 44 24.457 15.395 -22.251 1.00 13.23 H new ATOM 0 HE1 HIS A 44 22.176 17.833 -19.635 1.00 32.52 H new ATOM 0 HE2 HIS A 44 24.465 17.487 -20.696 1.00 53.52 H new ATOM 673 N LYS A 45 22.979 11.555 -20.750 1.00 13.22 N ATOM 674 CA LYS A 45 23.590 11.004 -19.546 1.00 44.10 C ATOM 675 C LYS A 45 24.743 10.070 -19.901 1.00 71.53 C ATOM 676 O LYS A 45 25.798 10.103 -19.269 1.00 73.03 O ATOM 677 CB LYS A 45 22.547 10.254 -18.717 1.00 74.53 C ATOM 678 CG LYS A 45 21.236 11.005 -18.564 1.00 40.45 C ATOM 679 CD LYS A 45 21.419 12.291 -17.778 1.00 63.15 C ATOM 680 CE LYS A 45 21.450 12.030 -16.279 1.00 32.12 C ATOM 681 NZ LYS A 45 20.088 12.076 -15.680 1.00 61.40 N1+ ATOM 0 H LYS A 45 22.087 11.129 -21.002 1.00 13.22 H new ATOM 0 HA LYS A 45 23.984 11.832 -18.957 1.00 44.10 H new ATOM 0 HB2 LYS A 45 22.351 9.289 -19.183 1.00 74.53 H new ATOM 0 HB3 LYS A 45 22.958 10.052 -17.728 1.00 74.53 H new ATOM 0 HG2 LYS A 45 20.830 11.234 -19.549 1.00 40.45 H new ATOM 0 HG3 LYS A 45 20.508 10.369 -18.059 1.00 40.45 H new ATOM 0 HD2 LYS A 45 22.346 12.776 -18.083 1.00 63.15 H new ATOM 0 HD3 LYS A 45 20.607 12.980 -18.012 1.00 63.15 H new ATOM 0 HE2 LYS A 45 21.897 11.054 -16.089 1.00 32.12 H new ATOM 0 HE3 LYS A 45 22.085 12.771 -15.794 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 20.152 11.893 -14.658 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 19.671 13.015 -15.838 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 19.489 11.351 -16.124 1.00 61.40 H new ATOM 695 N ASN A 46 24.533 9.237 -20.915 1.00 44.51 N ATOM 696 CA ASN A 46 25.555 8.293 -21.353 1.00 43.23 C ATOM 697 C ASN A 46 26.691 9.016 -22.071 1.00 15.11 C ATOM 698 O ASN A 46 27.828 8.549 -22.083 1.00 20.00 O ATOM 699 CB ASN A 46 24.942 7.238 -22.276 1.00 55.02 C ATOM 700 CG ASN A 46 25.763 5.964 -22.324 1.00 74.42 C ATOM 701 OD1 ASN A 46 25.659 5.111 -21.443 1.00 22.42 O ATOM 702 ND2 ASN A 46 26.589 5.831 -23.357 1.00 50.43 N ATOM 0 H ASN A 46 23.665 9.196 -21.449 1.00 44.51 H new ATOM 0 HA ASN A 46 25.962 7.801 -20.470 1.00 43.23 H new ATOM 0 HB2 ASN A 46 23.933 7.004 -21.936 1.00 55.02 H new ATOM 0 HB3 ASN A 46 24.853 7.647 -23.282 1.00 55.02 H new ATOM 0 HD21 ASN A 46 27.169 4.996 -23.442 1.00 50.43 H new ATOM 0 HD22 ASN A 46 26.643 6.564 -24.065 1.00 50.43 H new ATOM 709 N GLY A 47 26.372 10.160 -22.669 1.00 71.54 N ATOM 710 CA GLY A 47 27.376 10.930 -23.381 1.00 65.12 C ATOM 711 C GLY A 47 27.177 10.892 -24.884 1.00 62.25 C ATOM 712 O GLY A 47 27.799 11.658 -25.618 1.00 22.30 O ATOM 0 H GLY A 47 25.437 10.567 -22.673 1.00 71.54 H new ATOM 0 HA2 GLY A 47 27.346 11.965 -23.040 1.00 65.12 H new ATOM 0 HA3 GLY A 47 28.366 10.543 -23.139 1.00 65.12 H new ATOM 716 N VAL A 48 26.310 9.995 -25.342 1.00 31.22 N ATOM 717 CA VAL A 48 26.031 9.859 -26.767 1.00 41.02 C ATOM 718 C VAL A 48 25.529 11.172 -27.357 1.00 3.44 C ATOM 719 O VAL A 48 24.582 11.771 -26.846 1.00 22.32 O ATOM 720 CB VAL A 48 24.988 8.757 -27.033 1.00 34.34 C ATOM 721 CG1 VAL A 48 24.846 8.507 -28.526 1.00 23.24 C ATOM 722 CG2 VAL A 48 25.368 7.478 -26.303 1.00 32.44 C ATOM 0 H VAL A 48 25.788 9.351 -24.747 1.00 31.22 H new ATOM 0 HA VAL A 48 26.970 9.584 -27.248 1.00 41.02 H new ATOM 0 HB VAL A 48 24.023 9.093 -26.652 1.00 34.34 H new ATOM 0 HG11 VAL A 48 24.105 7.726 -28.695 1.00 23.24 H new ATOM 0 HG12 VAL A 48 24.525 9.424 -29.020 1.00 23.24 H new ATOM 0 HG13 VAL A 48 25.806 8.192 -28.935 1.00 23.24 H new ATOM 0 HG21 VAL A 48 24.621 6.710 -26.502 1.00 32.44 H new ATOM 0 HG22 VAL A 48 26.342 7.135 -26.652 1.00 32.44 H new ATOM 0 HG23 VAL A 48 25.414 7.671 -25.231 1.00 32.44 H new ATOM 732 N ASP A 49 26.168 11.614 -28.434 1.00 40.14 N ATOM 733 CA ASP A 49 25.785 12.856 -29.095 1.00 14.22 C ATOM 734 C ASP A 49 24.588 12.635 -30.014 1.00 34.02 C ATOM 735 O ASP A 49 24.742 12.486 -31.227 1.00 75.21 O ATOM 736 CB ASP A 49 26.962 13.417 -29.894 1.00 52.55 C ATOM 737 CG ASP A 49 26.787 14.885 -30.229 1.00 23.12 C ATOM 738 OD1 ASP A 49 25.813 15.494 -29.738 1.00 1.55 O ATOM 739 OD2 ASP A 49 27.624 15.425 -30.983 1.00 61.21 O1- ATOM 0 H ASP A 49 26.954 11.130 -28.868 1.00 40.14 H new ATOM 0 HA ASP A 49 25.502 13.576 -28.327 1.00 14.22 H new ATOM 0 HB2 ASP A 49 27.881 13.285 -29.323 1.00 52.55 H new ATOM 0 HB3 ASP A 49 27.075 12.848 -30.817 1.00 52.55 H new ATOM 744 N LEU A 50 23.396 12.615 -29.430 1.00 12.10 N ATOM 745 CA LEU A 50 22.170 12.411 -30.196 1.00 14.20 C ATOM 746 C LEU A 50 21.672 13.728 -30.784 1.00 31.24 C ATOM 747 O LEU A 50 21.632 14.749 -30.098 1.00 24.23 O ATOM 748 CB LEU A 50 21.089 11.792 -29.310 1.00 11.15 C ATOM 749 CG LEU A 50 20.152 10.795 -29.992 1.00 12.15 C ATOM 750 CD1 LEU A 50 19.427 11.453 -31.156 1.00 70.43 C ATOM 751 CD2 LEU A 50 20.927 9.574 -30.466 1.00 5.33 C ATOM 0 H LEU A 50 23.251 12.738 -28.428 1.00 12.10 H new ATOM 0 HA LEU A 50 22.391 11.729 -31.017 1.00 14.20 H new ATOM 0 HB2 LEU A 50 21.576 11.289 -28.475 1.00 11.15 H new ATOM 0 HB3 LEU A 50 20.487 12.597 -28.890 1.00 11.15 H new ATOM 0 HG LEU A 50 19.408 10.469 -29.265 1.00 12.15 H new ATOM 0 HD11 LEU A 50 18.765 10.728 -31.629 1.00 70.43 H new ATOM 0 HD12 LEU A 50 18.840 12.295 -30.790 1.00 70.43 H new ATOM 0 HD13 LEU A 50 20.156 11.808 -31.885 1.00 70.43 H new ATOM 0 HD21 LEU A 50 20.244 8.875 -30.949 1.00 5.33 H new ATOM 0 HD22 LEU A 50 21.693 9.883 -31.177 1.00 5.33 H new ATOM 0 HD23 LEU A 50 21.399 9.089 -29.612 1.00 5.33 H new ATOM 905 N CYS A 63 13.942 15.701 -39.362 1.00 12.42 N ATOM 906 CA CYS A 63 14.354 14.686 -38.401 1.00 3.52 C ATOM 907 C CYS A 63 14.222 13.287 -38.999 1.00 2.45 C ATOM 908 O CYS A 63 13.119 12.834 -39.308 1.00 4.13 O ATOM 909 CB CYS A 63 13.515 14.789 -37.126 1.00 25.53 C ATOM 910 SG CYS A 63 14.184 15.944 -35.888 1.00 22.10 S ATOM 0 HA CYS A 63 15.401 14.860 -38.153 1.00 3.52 H new ATOM 0 HB2 CYS A 63 12.506 15.103 -37.392 1.00 25.53 H new ATOM 0 HB3 CYS A 63 13.433 13.799 -36.677 1.00 25.53 H new ATOM 0 HG CYS A 63 13.733 15.627 -34.711 1.00 22.10 H new ATOM 915 N HIS A 64 15.353 12.609 -39.158 1.00 63.44 N ATOM 916 CA HIS A 64 15.365 11.261 -39.718 1.00 3.42 C ATOM 917 C HIS A 64 16.528 10.449 -39.155 1.00 30.22 C ATOM 918 O HIS A 64 17.692 10.745 -39.426 1.00 61.33 O ATOM 919 CB HIS A 64 15.458 11.321 -41.243 1.00 52.43 C ATOM 920 CG HIS A 64 16.584 12.174 -41.741 1.00 13.30 C ATOM 921 ND1 HIS A 64 17.758 11.654 -42.244 1.00 62.35 N ATOM 922 CD2 HIS A 64 16.709 13.520 -41.813 1.00 65.44 C ATOM 923 CE1 HIS A 64 18.556 12.643 -42.603 1.00 13.15 C ATOM 924 NE2 HIS A 64 17.943 13.786 -42.352 1.00 23.12 N ATOM 0 H HIS A 64 16.274 12.970 -38.907 1.00 63.44 H new ATOM 0 HA HIS A 64 14.434 10.769 -39.438 1.00 3.42 H new ATOM 0 HB2 HIS A 64 15.580 10.310 -41.631 1.00 52.43 H new ATOM 0 HB3 HIS A 64 14.519 11.705 -41.641 1.00 52.43 H new ATOM 0 HD2 HIS A 64 15.974 14.249 -41.504 1.00 65.44 H new ATOM 0 HE1 HIS A 64 19.542 12.536 -43.029 1.00 13.15 H new ATOM 0 HE2 HIS A 64 18.325 14.715 -42.530 1.00 23.12 H new ATOM 932 N VAL A 65 16.204 9.426 -38.371 1.00 61.11 N ATOM 933 CA VAL A 65 17.222 8.571 -37.772 1.00 32.34 C ATOM 934 C VAL A 65 16.933 7.099 -38.043 1.00 22.50 C ATOM 935 O VAL A 65 15.794 6.720 -38.319 1.00 34.33 O ATOM 936 CB VAL A 65 17.315 8.793 -36.250 1.00 11.13 C ATOM 937 CG1 VAL A 65 18.584 8.164 -35.696 1.00 72.25 C ATOM 938 CG2 VAL A 65 17.260 10.278 -35.925 1.00 23.01 C ATOM 0 H VAL A 65 15.245 9.169 -38.136 1.00 61.11 H new ATOM 0 HA VAL A 65 18.173 8.841 -38.231 1.00 32.34 H new ATOM 0 HB VAL A 65 16.461 8.309 -35.776 1.00 11.13 H new ATOM 0 HG11 VAL A 65 18.633 8.331 -34.620 1.00 72.25 H new ATOM 0 HG12 VAL A 65 18.577 7.093 -35.897 1.00 72.25 H new ATOM 0 HG13 VAL A 65 19.453 8.617 -36.173 1.00 72.25 H new ATOM 0 HG21 VAL A 65 17.327 10.417 -34.846 1.00 23.01 H new ATOM 0 HG22 VAL A 65 18.093 10.787 -36.409 1.00 23.01 H new ATOM 0 HG23 VAL A 65 16.320 10.695 -36.287 1.00 23.01 H new ATOM 948 N ILE A 66 17.969 6.273 -37.960 1.00 21.12 N ATOM 949 CA ILE A 66 17.827 4.841 -38.195 1.00 32.41 C ATOM 950 C ILE A 66 17.503 4.101 -36.902 1.00 54.10 C ATOM 951 O ILE A 66 18.160 4.302 -35.879 1.00 14.31 O ATOM 952 CB ILE A 66 19.104 4.241 -38.811 1.00 13.50 C ATOM 953 CG1 ILE A 66 19.353 4.832 -40.200 1.00 41.34 C ATOM 954 CG2 ILE A 66 18.995 2.725 -38.885 1.00 64.43 C ATOM 955 CD1 ILE A 66 20.648 4.369 -40.831 1.00 62.21 C ATOM 0 H ILE A 66 18.918 6.570 -37.732 1.00 21.12 H new ATOM 0 HA ILE A 66 17.003 4.718 -38.898 1.00 32.41 H new ATOM 0 HB ILE A 66 19.951 4.494 -38.173 1.00 13.50 H new ATOM 0 HG12 ILE A 66 18.523 4.564 -40.854 1.00 41.34 H new ATOM 0 HG13 ILE A 66 19.362 5.920 -40.127 1.00 41.34 H new ATOM 0 HG21 ILE A 66 19.905 2.316 -39.323 1.00 64.43 H new ATOM 0 HG22 ILE A 66 18.861 2.320 -37.882 1.00 64.43 H new ATOM 0 HG23 ILE A 66 18.140 2.451 -39.504 1.00 64.43 H new ATOM 0 HD11 ILE A 66 20.758 4.828 -41.814 1.00 62.21 H new ATOM 0 HD12 ILE A 66 21.486 4.661 -40.198 1.00 62.21 H new ATOM 0 HD13 ILE A 66 20.634 3.284 -40.937 1.00 62.21 H new ATOM 967 N LEU A 67 16.489 3.246 -36.953 1.00 62.31 N ATOM 968 CA LEU A 67 16.078 2.474 -35.786 1.00 64.04 C ATOM 969 C LEU A 67 16.115 0.978 -36.082 1.00 12.11 C ATOM 970 O LEU A 67 16.109 0.565 -37.241 1.00 61.41 O ATOM 971 CB LEU A 67 14.671 2.884 -35.348 1.00 53.02 C ATOM 972 CG LEU A 67 14.255 2.453 -33.941 1.00 54.25 C ATOM 973 CD1 LEU A 67 15.227 2.997 -32.906 1.00 12.14 C ATOM 974 CD2 LEU A 67 12.837 2.918 -33.639 1.00 10.33 C ATOM 0 H LEU A 67 15.935 3.069 -37.791 1.00 62.31 H new ATOM 0 HA LEU A 67 16.779 2.683 -34.978 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.594 3.969 -35.412 1.00 53.02 H new ATOM 0 HB3 LEU A 67 13.956 2.471 -36.059 1.00 53.02 H new ATOM 0 HG LEU A 67 14.278 1.364 -33.894 1.00 54.25 H new ATOM 0 HD11 LEU A 67 14.914 2.680 -31.911 1.00 12.14 H new ATOM 0 HD12 LEU A 67 16.227 2.616 -33.111 1.00 12.14 H new ATOM 0 HD13 LEU A 67 15.237 4.086 -32.953 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.557 2.603 -32.634 1.00 10.33 H new ATOM 0 HD22 LEU A 67 12.789 4.005 -33.705 1.00 10.33 H new ATOM 0 HD23 LEU A 67 12.149 2.480 -34.362 1.00 10.33 H new ATOM 986 N GLU A 68 16.150 0.171 -35.026 1.00 71.02 N ATOM 987 CA GLU A 68 16.186 -1.279 -35.175 1.00 2.24 C ATOM 988 C GLU A 68 15.180 -1.744 -36.224 1.00 45.14 C ATOM 989 O GLU A 68 14.093 -1.181 -36.348 1.00 70.41 O ATOM 990 CB GLU A 68 15.892 -1.958 -33.835 1.00 2.12 C ATOM 991 CG GLU A 68 17.000 -2.888 -33.369 1.00 61.11 C ATOM 992 CD GLU A 68 16.550 -4.334 -33.285 1.00 60.41 C ATOM 993 OE1 GLU A 68 16.964 -5.134 -34.149 1.00 23.25 O ATOM 994 OE2 GLU A 68 15.785 -4.665 -32.355 1.00 54.52 O1- ATOM 0 H GLU A 68 16.154 0.496 -34.059 1.00 71.02 H new ATOM 0 HA GLU A 68 17.186 -1.560 -35.506 1.00 2.24 H new ATOM 0 HB2 GLU A 68 15.729 -1.192 -33.077 1.00 2.12 H new ATOM 0 HB3 GLU A 68 14.965 -2.525 -33.920 1.00 2.12 H new ATOM 0 HG2 GLU A 68 17.844 -2.813 -34.054 1.00 61.11 H new ATOM 0 HG3 GLU A 68 17.354 -2.564 -32.390 1.00 61.11 H new ATOM 1001 N GLU A 69 15.553 -2.774 -36.977 1.00 22.44 N ATOM 1002 CA GLU A 69 14.684 -3.313 -38.016 1.00 73.04 C ATOM 1003 C GLU A 69 13.343 -3.748 -37.434 1.00 43.43 C ATOM 1004 O GLU A 69 12.281 -3.262 -37.825 1.00 23.14 O ATOM 1005 CB GLU A 69 15.359 -4.498 -38.711 1.00 71.35 C ATOM 1006 CG GLU A 69 15.742 -4.219 -40.156 1.00 42.54 C ATOM 1007 CD GLU A 69 16.746 -5.218 -40.696 1.00 13.13 C ATOM 1008 OE1 GLU A 69 17.649 -5.624 -39.933 1.00 54.15 O ATOM 1009 OE2 GLU A 69 16.631 -5.595 -41.881 1.00 42.34 O1- ATOM 0 H GLU A 69 16.450 -3.251 -36.887 1.00 22.44 H new ATOM 0 HA GLU A 69 14.504 -2.525 -38.747 1.00 73.04 H new ATOM 0 HB2 GLU A 69 16.254 -4.774 -38.153 1.00 71.35 H new ATOM 0 HB3 GLU A 69 14.688 -5.356 -38.681 1.00 71.35 H new ATOM 0 HG2 GLU A 69 14.846 -4.239 -40.776 1.00 42.54 H new ATOM 0 HG3 GLU A 69 16.159 -3.214 -40.230 1.00 42.54 H new ATOM 1016 N PRO A 70 13.390 -4.685 -36.475 1.00 54.22 N ATOM 1017 CA PRO A 70 12.188 -5.207 -35.817 1.00 20.10 C ATOM 1018 C PRO A 70 11.529 -4.173 -34.911 1.00 1.22 C ATOM 1019 O PRO A 70 10.314 -3.982 -34.950 1.00 33.25 O ATOM 1020 CB PRO A 70 12.717 -6.382 -34.993 1.00 54.11 C ATOM 1021 CG PRO A 70 14.149 -6.057 -34.744 1.00 53.54 C ATOM 1022 CD PRO A 70 14.621 -5.308 -35.960 1.00 23.21 C ATOM 0 HA PRO A 70 11.418 -5.486 -36.536 1.00 20.10 H new ATOM 0 HB2 PRO A 70 12.167 -6.489 -34.058 1.00 54.11 H new ATOM 0 HB3 PRO A 70 12.613 -7.323 -35.533 1.00 54.11 H new ATOM 0 HG2 PRO A 70 14.261 -5.451 -33.845 1.00 53.54 H new ATOM 0 HG3 PRO A 70 14.734 -6.964 -34.593 1.00 53.54 H new ATOM 0 HD2 PRO A 70 15.373 -4.561 -35.705 1.00 23.21 H new ATOM 0 HD3 PRO A 70 15.071 -5.976 -36.694 1.00 23.21 H new ATOM 1030 N LEU A 71 12.339 -3.508 -34.093 1.00 73.21 N ATOM 1031 CA LEU A 71 11.834 -2.492 -33.176 1.00 71.13 C ATOM 1032 C LEU A 71 10.975 -1.471 -33.914 1.00 14.24 C ATOM 1033 O LEU A 71 9.889 -1.111 -33.456 1.00 22.31 O ATOM 1034 CB LEU A 71 12.997 -1.787 -32.477 1.00 11.33 C ATOM 1035 CG LEU A 71 12.625 -0.889 -31.295 1.00 51.51 C ATOM 1036 CD1 LEU A 71 12.569 -1.698 -30.008 1.00 70.15 C ATOM 1037 CD2 LEU A 71 13.615 0.258 -31.164 1.00 52.41 C ATOM 0 H LEU A 71 13.347 -3.654 -34.046 1.00 73.21 H new ATOM 0 HA LEU A 71 11.214 -2.987 -32.428 1.00 71.13 H new ATOM 0 HB2 LEU A 71 13.697 -2.545 -32.125 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.526 -1.183 -33.214 1.00 11.33 H new ATOM 0 HG LEU A 71 11.636 -0.469 -31.479 1.00 51.51 H new ATOM 0 HD11 LEU A 71 12.303 -1.043 -29.178 1.00 70.15 H new ATOM 0 HD12 LEU A 71 11.820 -2.484 -30.105 1.00 70.15 H new ATOM 0 HD13 LEU A 71 13.544 -2.147 -29.818 1.00 70.15 H new ATOM 0 HD21 LEU A 71 13.335 0.886 -30.318 1.00 52.41 H new ATOM 0 HD22 LEU A 71 14.616 -0.142 -31.003 1.00 52.41 H new ATOM 0 HD23 LEU A 71 13.605 0.853 -32.077 1.00 52.41 H new ATOM 1049 N TYR A 72 11.465 -1.009 -35.059 1.00 23.13 N ATOM 1050 CA TYR A 72 10.742 -0.029 -35.860 1.00 72.33 C ATOM 1051 C TYR A 72 9.531 -0.666 -36.538 1.00 64.33 C ATOM 1052 O TYR A 72 8.457 -0.069 -36.602 1.00 54.01 O ATOM 1053 CB TYR A 72 11.667 0.582 -36.914 1.00 62.53 C ATOM 1054 CG TYR A 72 11.048 1.739 -37.665 1.00 74.02 C ATOM 1055 CD1 TYR A 72 10.273 1.522 -38.799 1.00 13.23 C ATOM 1056 CD2 TYR A 72 11.237 3.049 -37.243 1.00 33.42 C ATOM 1057 CE1 TYR A 72 9.707 2.575 -39.489 1.00 74.45 C ATOM 1058 CE2 TYR A 72 10.673 4.109 -37.926 1.00 12.54 C ATOM 1059 CZ TYR A 72 9.909 3.867 -39.047 1.00 14.41 C ATOM 1060 OH TYR A 72 9.345 4.920 -39.732 1.00 23.11 O ATOM 0 H TYR A 72 12.360 -1.298 -35.453 1.00 23.13 H new ATOM 0 HA TYR A 72 10.391 0.759 -35.194 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.582 0.922 -36.429 1.00 62.53 H new ATOM 0 HB3 TYR A 72 11.953 -0.192 -37.627 1.00 62.53 H new ATOM 0 HD1 TYR A 72 10.111 0.512 -39.146 1.00 13.23 H new ATOM 0 HD2 TYR A 72 11.836 3.242 -36.365 1.00 33.42 H new ATOM 0 HE1 TYR A 72 9.110 2.389 -40.369 1.00 74.45 H new ATOM 0 HE2 TYR A 72 10.830 5.121 -37.584 1.00 12.54 H new ATOM 0 HH TYR A 72 9.931 5.703 -39.669 1.00 23.11 H new ATOM 1070 N ARG A 73 9.715 -1.882 -37.041 1.00 65.44 N ATOM 1071 CA ARG A 73 8.640 -2.601 -37.714 1.00 14.13 C ATOM 1072 C ARG A 73 7.393 -2.661 -36.837 1.00 11.43 C ATOM 1073 O ARG A 73 6.304 -2.273 -37.260 1.00 2.21 O ATOM 1074 CB ARG A 73 9.092 -4.017 -38.074 1.00 24.52 C ATOM 1075 CG ARG A 73 8.526 -4.521 -39.391 1.00 20.20 C ATOM 1076 CD ARG A 73 9.609 -5.139 -40.263 1.00 62.31 C ATOM 1077 NE ARG A 73 9.099 -6.246 -41.067 1.00 14.20 N ATOM 1078 CZ ARG A 73 8.803 -7.440 -40.568 1.00 65.04 C ATOM 1079 NH1 ARG A 73 8.963 -7.680 -39.273 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 8.343 -8.398 -41.363 1.00 13.35 N ATOM 0 H ARG A 73 10.598 -2.390 -36.995 1.00 65.44 H new ATOM 0 HA ARG A 73 8.394 -2.062 -38.629 1.00 14.13 H new ATOM 0 HB2 ARG A 73 10.181 -4.040 -38.124 1.00 24.52 H new ATOM 0 HB3 ARG A 73 8.795 -4.698 -37.276 1.00 24.52 H new ATOM 0 HG2 ARG A 73 7.749 -5.260 -39.195 1.00 20.20 H new ATOM 0 HG3 ARG A 73 8.054 -3.696 -39.925 1.00 20.20 H new ATOM 0 HD2 ARG A 73 10.025 -4.375 -40.920 1.00 62.31 H new ATOM 0 HD3 ARG A 73 10.424 -5.495 -39.632 1.00 62.31 H new ATOM 0 HE ARG A 73 8.963 -6.094 -42.066 1.00 14.20 H new ATOM 0 HH11 ARG A 73 9.314 -6.946 -38.658 1.00 12.32 H new ATOM 0 HH12 ARG A 73 8.735 -8.598 -38.893 1.00 12.32 H new ATOM 0 HH21 ARG A 73 8.216 -8.217 -42.359 1.00 13.35 H new ATOM 0 HH22 ARG A 73 8.116 -9.315 -40.978 1.00 13.35 H new ATOM 1094 N LYS A 74 7.560 -3.149 -35.612 1.00 33.12 N ATOM 1095 CA LYS A 74 6.450 -3.259 -34.674 1.00 31.02 C ATOM 1096 C LYS A 74 6.031 -1.884 -34.162 1.00 63.21 C ATOM 1097 O LYS A 74 4.853 -1.643 -33.895 1.00 75.00 O ATOM 1098 CB LYS A 74 6.838 -4.157 -33.496 1.00 65.31 C ATOM 1099 CG LYS A 74 8.151 -3.766 -32.841 1.00 40.52 C ATOM 1100 CD LYS A 74 8.061 -3.835 -31.326 1.00 34.44 C ATOM 1101 CE LYS A 74 7.174 -2.732 -30.770 1.00 41.15 C ATOM 1102 NZ LYS A 74 6.373 -3.198 -29.604 1.00 30.01 N1+ ATOM 0 H LYS A 74 8.455 -3.475 -35.246 1.00 33.12 H new ATOM 0 HA LYS A 74 5.605 -3.704 -35.200 1.00 31.02 H new ATOM 0 HB2 LYS A 74 6.045 -4.125 -32.749 1.00 65.31 H new ATOM 0 HB3 LYS A 74 6.907 -5.188 -33.843 1.00 65.31 H new ATOM 0 HG2 LYS A 74 8.944 -4.428 -33.190 1.00 40.52 H new ATOM 0 HG3 LYS A 74 8.423 -2.755 -33.144 1.00 40.52 H new ATOM 0 HD2 LYS A 74 7.666 -4.806 -31.028 1.00 34.44 H new ATOM 0 HD3 LYS A 74 9.059 -3.752 -30.897 1.00 34.44 H new ATOM 0 HE2 LYS A 74 7.792 -1.885 -30.471 1.00 41.15 H new ATOM 0 HE3 LYS A 74 6.503 -2.376 -31.552 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 6.153 -2.389 -28.988 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 5.488 -3.628 -29.940 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 6.918 -3.903 -29.068 1.00 30.01 H new ATOM 1116 N LEU A 75 7.002 -0.987 -34.030 1.00 52.50 N ATOM 1117 CA LEU A 75 6.733 0.365 -33.551 1.00 65.55 C ATOM 1118 C LEU A 75 5.809 1.107 -34.511 1.00 75.21 C ATOM 1119 O LEU A 75 5.103 2.035 -34.116 1.00 64.44 O ATOM 1120 CB LEU A 75 8.043 1.138 -33.385 1.00 21.23 C ATOM 1121 CG LEU A 75 8.679 1.089 -31.996 1.00 41.12 C ATOM 1122 CD1 LEU A 75 9.973 1.888 -31.973 1.00 62.14 C ATOM 1123 CD2 LEU A 75 7.709 1.613 -30.947 1.00 51.32 C ATOM 0 H LEU A 75 7.981 -1.171 -34.248 1.00 52.50 H new ATOM 0 HA LEU A 75 6.238 0.291 -32.583 1.00 65.55 H new ATOM 0 HB2 LEU A 75 8.763 0.752 -34.106 1.00 21.23 H new ATOM 0 HB3 LEU A 75 7.861 2.181 -33.643 1.00 21.23 H new ATOM 0 HG LEU A 75 8.912 0.051 -31.761 1.00 41.12 H new ATOM 0 HD11 LEU A 75 10.412 1.842 -30.976 1.00 62.14 H new ATOM 0 HD12 LEU A 75 10.672 1.469 -32.697 1.00 62.14 H new ATOM 0 HD13 LEU A 75 9.764 2.927 -32.230 1.00 62.14 H new ATOM 0 HD21 LEU A 75 8.178 1.571 -29.964 1.00 51.32 H new ATOM 0 HD22 LEU A 75 7.445 2.645 -31.179 1.00 51.32 H new ATOM 0 HD23 LEU A 75 6.808 0.999 -30.946 1.00 51.32 H new ATOM 1135 N GLY A 76 5.817 0.692 -35.774 1.00 21.42 N ATOM 1136 CA GLY A 76 4.974 1.328 -36.769 1.00 10.52 C ATOM 1137 C GLY A 76 5.713 1.608 -38.062 1.00 14.51 C ATOM 1138 O GLY A 76 6.890 1.968 -38.045 1.00 71.33 O ATOM 0 H GLY A 76 6.392 -0.073 -36.126 1.00 21.42 H new ATOM 0 HA2 GLY A 76 4.116 0.689 -36.976 1.00 10.52 H new ATOM 0 HA3 GLY A 76 4.585 2.263 -36.367 1.00 10.52 H new ATOM 1142 N GLU A 77 5.023 1.442 -39.185 1.00 31.22 N ATOM 1143 CA GLU A 77 5.625 1.677 -40.492 1.00 3.31 C ATOM 1144 C GLU A 77 5.025 2.917 -41.152 1.00 55.51 C ATOM 1145 O GLU A 77 3.912 3.340 -40.840 1.00 65.31 O ATOM 1146 CB GLU A 77 5.426 0.460 -41.397 1.00 60.22 C ATOM 1147 CG GLU A 77 4.025 -0.124 -41.333 1.00 64.43 C ATOM 1148 CD GLU A 77 3.655 -0.894 -42.586 1.00 52.41 C ATOM 1149 OE1 GLU A 77 2.600 -0.588 -43.181 1.00 31.24 O ATOM 1150 OE2 GLU A 77 4.420 -1.803 -42.973 1.00 22.41 O1- ATOM 0 H GLU A 77 4.047 1.146 -39.217 1.00 31.22 H new ATOM 0 HA GLU A 77 6.693 1.842 -40.347 1.00 3.31 H new ATOM 0 HB2 GLU A 77 5.646 0.744 -42.426 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.145 -0.311 -41.118 1.00 60.22 H new ATOM 0 HG2 GLU A 77 3.950 -0.785 -40.470 1.00 64.43 H new ATOM 0 HG3 GLU A 77 3.306 0.681 -41.181 1.00 64.43 H new ATOM 1157 N PRO A 78 5.781 3.514 -42.085 1.00 13.34 N ATOM 1158 CA PRO A 78 5.346 4.713 -42.808 1.00 21.23 C ATOM 1159 C PRO A 78 4.205 4.424 -43.777 1.00 62.01 C ATOM 1160 O PRO A 78 3.847 3.268 -44.002 1.00 42.25 O ATOM 1161 CB PRO A 78 6.602 5.141 -43.572 1.00 40.44 C ATOM 1162 CG PRO A 78 7.392 3.889 -43.734 1.00 2.43 C ATOM 1163 CD PRO A 78 7.118 3.064 -42.507 1.00 41.44 C ATOM 0 HA PRO A 78 4.959 5.477 -42.134 1.00 21.23 H new ATOM 0 HB2 PRO A 78 6.348 5.577 -44.538 1.00 40.44 H new ATOM 0 HB3 PRO A 78 7.163 5.895 -43.020 1.00 40.44 H new ATOM 0 HG2 PRO A 78 7.096 3.355 -44.637 1.00 2.43 H new ATOM 0 HG3 PRO A 78 8.456 4.108 -43.827 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.131 1.997 -42.729 1.00 41.44 H new ATOM 0 HD3 PRO A 78 7.864 3.238 -41.731 1.00 41.44 H new ATOM 1171 N SER A 79 3.638 5.482 -44.348 1.00 1.54 N ATOM 1172 CA SER A 79 2.535 5.341 -45.291 1.00 22.12 C ATOM 1173 C SER A 79 3.034 5.436 -46.730 1.00 55.34 C ATOM 1174 O SER A 79 4.239 5.433 -46.982 1.00 42.34 O ATOM 1175 CB SER A 79 1.476 6.415 -45.034 1.00 75.41 C ATOM 1176 OG SER A 79 1.194 6.532 -43.651 1.00 71.31 O ATOM 0 H SER A 79 3.924 6.445 -44.174 1.00 1.54 H new ATOM 0 HA SER A 79 2.088 4.358 -45.145 1.00 22.12 H new ATOM 0 HB2 SER A 79 1.824 7.373 -45.420 1.00 75.41 H new ATOM 0 HB3 SER A 79 0.563 6.167 -45.575 1.00 75.41 H new ATOM 0 HG SER A 79 0.516 7.226 -43.513 1.00 71.31 H new ATOM 1182 N ASP A 80 2.099 5.520 -47.669 1.00 2.42 N ATOM 1183 CA ASP A 80 2.442 5.618 -49.083 1.00 64.33 C ATOM 1184 C ASP A 80 3.351 6.815 -49.340 1.00 41.21 C ATOM 1185 O ASP A 80 4.373 6.698 -50.017 1.00 61.31 O ATOM 1186 CB ASP A 80 1.174 5.733 -49.931 1.00 42.53 C ATOM 1187 CG ASP A 80 0.402 4.431 -49.999 1.00 72.41 C ATOM 1188 OD1 ASP A 80 0.750 3.494 -49.249 1.00 61.52 O ATOM 1189 OD2 ASP A 80 -0.551 4.347 -50.801 1.00 62.51 O1- ATOM 0 H ASP A 80 1.097 5.522 -47.477 1.00 2.42 H new ATOM 0 HA ASP A 80 2.977 4.711 -49.365 1.00 64.33 H new ATOM 0 HB2 ASP A 80 0.533 6.511 -49.516 1.00 42.53 H new ATOM 0 HB3 ASP A 80 1.443 6.046 -50.940 1.00 42.53 H new ATOM 1194 N LYS A 81 2.974 7.967 -48.796 1.00 63.24 N ATOM 1195 CA LYS A 81 3.754 9.186 -48.966 1.00 42.30 C ATOM 1196 C LYS A 81 5.205 8.966 -48.548 1.00 52.43 C ATOM 1197 O LYS A 81 6.123 9.129 -49.351 1.00 13.12 O ATOM 1198 CB LYS A 81 3.144 10.325 -48.148 1.00 24.44 C ATOM 1199 CG LYS A 81 3.903 11.635 -48.265 1.00 13.30 C ATOM 1200 CD LYS A 81 3.229 12.745 -47.476 1.00 11.42 C ATOM 1201 CE LYS A 81 1.946 13.207 -48.151 1.00 51.52 C ATOM 1202 NZ LYS A 81 0.919 13.630 -47.157 1.00 62.13 N1+ ATOM 0 H LYS A 81 2.131 8.082 -48.233 1.00 63.24 H new ATOM 0 HA LYS A 81 3.735 9.455 -50.022 1.00 42.30 H new ATOM 0 HB2 LYS A 81 2.115 10.482 -48.471 1.00 24.44 H new ATOM 0 HB3 LYS A 81 3.108 10.029 -47.100 1.00 24.44 H new ATOM 0 HG2 LYS A 81 4.922 11.499 -47.904 1.00 13.30 H new ATOM 0 HG3 LYS A 81 3.972 11.924 -49.314 1.00 13.30 H new ATOM 0 HD2 LYS A 81 3.006 12.393 -46.469 1.00 11.42 H new ATOM 0 HD3 LYS A 81 3.912 13.588 -47.375 1.00 11.42 H new ATOM 0 HE2 LYS A 81 2.167 14.038 -48.821 1.00 51.52 H new ATOM 0 HE3 LYS A 81 1.547 12.399 -48.765 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 0.060 13.938 -47.655 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 0.690 12.830 -46.533 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 1.290 14.418 -46.588 1.00 62.13 H new ATOM 1216 N GLU A 82 5.403 8.594 -47.287 1.00 13.40 N ATOM 1217 CA GLU A 82 6.742 8.352 -46.764 1.00 22.15 C ATOM 1218 C GLU A 82 7.425 7.218 -47.523 1.00 24.23 C ATOM 1219 O GLU A 82 8.650 7.180 -47.633 1.00 2.21 O ATOM 1220 CB GLU A 82 6.678 8.016 -45.273 1.00 53.12 C ATOM 1221 CG GLU A 82 6.725 9.238 -44.371 1.00 71.53 C ATOM 1222 CD GLU A 82 7.963 10.084 -44.599 1.00 12.30 C ATOM 1223 OE1 GLU A 82 7.993 11.234 -44.112 1.00 14.14 O ATOM 1224 OE2 GLU A 82 8.901 9.596 -45.262 1.00 32.01 O1- ATOM 0 H GLU A 82 4.654 8.454 -46.609 1.00 13.40 H new ATOM 0 HA GLU A 82 7.327 9.261 -46.899 1.00 22.15 H new ATOM 0 HB2 GLU A 82 5.761 7.462 -45.073 1.00 53.12 H new ATOM 0 HB3 GLU A 82 7.509 7.357 -45.022 1.00 53.12 H new ATOM 0 HG2 GLU A 82 5.837 9.846 -44.543 1.00 71.53 H new ATOM 0 HG3 GLU A 82 6.695 8.918 -43.330 1.00 71.53 H new ATOM 1231 N TYR A 83 6.623 6.296 -48.043 1.00 32.52 N ATOM 1232 CA TYR A 83 7.149 5.158 -48.789 1.00 21.41 C ATOM 1233 C TYR A 83 7.896 5.623 -50.036 1.00 74.33 C ATOM 1234 O TYR A 83 9.064 5.289 -50.235 1.00 30.25 O ATOM 1235 CB TYR A 83 6.015 4.210 -49.182 1.00 60.15 C ATOM 1236 CG TYR A 83 6.015 2.911 -48.410 1.00 3.54 C ATOM 1237 CD1 TYR A 83 5.974 2.907 -47.021 1.00 33.43 C ATOM 1238 CD2 TYR A 83 6.058 1.688 -49.067 1.00 72.12 C ATOM 1239 CE1 TYR A 83 5.975 1.722 -46.309 1.00 3.43 C ATOM 1240 CE2 TYR A 83 6.058 0.499 -48.365 1.00 71.42 C ATOM 1241 CZ TYR A 83 6.016 0.521 -46.986 1.00 11.20 C ATOM 1242 OH TYR A 83 6.017 -0.662 -46.283 1.00 41.13 O ATOM 0 H TYR A 83 5.606 6.314 -47.962 1.00 32.52 H new ATOM 0 HA TYR A 83 7.850 4.626 -48.145 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.061 4.715 -49.027 1.00 60.15 H new ATOM 0 HB3 TYR A 83 6.090 3.990 -50.247 1.00 60.15 H new ATOM 0 HD1 TYR A 83 5.941 3.846 -46.488 1.00 33.43 H new ATOM 0 HD2 TYR A 83 6.092 1.667 -50.146 1.00 72.12 H new ATOM 0 HE1 TYR A 83 5.944 1.737 -45.230 1.00 3.43 H new ATOM 0 HE2 TYR A 83 6.091 -0.443 -48.892 1.00 71.42 H new ATOM 0 HH TYR A 83 6.047 -1.415 -46.910 1.00 41.13 H new ATOM 1252 N ASP A 84 7.211 6.395 -50.873 1.00 24.14 N ATOM 1253 CA ASP A 84 7.807 6.907 -52.101 1.00 41.30 C ATOM 1254 C ASP A 84 8.913 7.912 -51.790 1.00 24.23 C ATOM 1255 O ASP A 84 9.936 7.956 -52.474 1.00 11.41 O ATOM 1256 CB ASP A 84 6.739 7.562 -52.978 1.00 33.25 C ATOM 1257 CG ASP A 84 7.031 7.409 -54.457 1.00 12.43 C ATOM 1258 OD1 ASP A 84 8.075 7.921 -54.913 1.00 71.12 O ATOM 1259 OD2 ASP A 84 6.215 6.778 -55.161 1.00 45.14 O1- ATOM 0 H ASP A 84 6.243 6.680 -50.723 1.00 24.14 H new ATOM 0 HA ASP A 84 8.244 6.067 -52.641 1.00 41.30 H new ATOM 0 HB2 ASP A 84 5.768 7.120 -52.755 1.00 33.25 H new ATOM 0 HB3 ASP A 84 6.671 8.622 -52.732 1.00 33.25 H new ATOM 1264 N LEU A 85 8.700 8.716 -50.755 1.00 20.31 N ATOM 1265 CA LEU A 85 9.679 9.721 -50.353 1.00 5.33 C ATOM 1266 C LEU A 85 11.028 9.077 -50.049 1.00 63.15 C ATOM 1267 O LEU A 85 12.057 9.491 -50.581 1.00 64.22 O ATOM 1268 CB LEU A 85 9.179 10.486 -49.127 1.00 32.10 C ATOM 1269 CG LEU A 85 9.902 11.796 -48.811 1.00 40.23 C ATOM 1270 CD1 LEU A 85 9.635 12.827 -49.897 1.00 13.40 C ATOM 1271 CD2 LEU A 85 9.475 12.328 -47.451 1.00 5.43 C ATOM 0 H LEU A 85 7.859 8.692 -50.179 1.00 20.31 H new ATOM 0 HA LEU A 85 9.808 10.418 -51.181 1.00 5.33 H new ATOM 0 HB2 LEU A 85 8.120 10.703 -49.267 1.00 32.10 H new ATOM 0 HB3 LEU A 85 9.258 9.832 -48.259 1.00 32.10 H new ATOM 0 HG LEU A 85 10.974 11.599 -48.780 1.00 40.23 H new ATOM 0 HD11 LEU A 85 10.157 13.753 -49.656 1.00 13.40 H new ATOM 0 HD12 LEU A 85 9.992 12.448 -50.854 1.00 13.40 H new ATOM 0 HD13 LEU A 85 8.564 13.020 -49.960 1.00 13.40 H new ATOM 0 HD21 LEU A 85 10.000 13.260 -47.244 1.00 5.43 H new ATOM 0 HD22 LEU A 85 8.400 12.509 -47.452 1.00 5.43 H new ATOM 0 HD23 LEU A 85 9.718 11.596 -46.681 1.00 5.43 H new ATOM 1283 N ILE A 86 11.013 8.061 -49.193 1.00 45.10 N ATOM 1284 CA ILE A 86 12.234 7.359 -48.821 1.00 32.42 C ATOM 1285 C ILE A 86 12.704 6.440 -49.945 1.00 52.13 C ATOM 1286 O ILE A 86 13.904 6.260 -50.154 1.00 14.31 O ATOM 1287 CB ILE A 86 12.038 6.525 -47.542 1.00 62.20 C ATOM 1288 CG1 ILE A 86 11.620 7.426 -46.379 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.313 5.768 -47.201 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.588 6.799 -45.468 1.00 63.41 C ATOM 0 H ILE A 86 10.169 7.706 -48.744 1.00 45.10 H new ATOM 0 HA ILE A 86 12.991 8.121 -48.636 1.00 32.42 H new ATOM 0 HB ILE A 86 11.245 5.799 -47.718 1.00 62.20 H new ATOM 0 HG12 ILE A 86 12.503 7.681 -45.793 1.00 10.12 H new ATOM 0 HG13 ILE A 86 11.221 8.359 -46.778 1.00 10.12 H new ATOM 0 HG21 ILE A 86 13.158 5.183 -46.294 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.571 5.101 -48.023 1.00 11.21 H new ATOM 0 HG23 ILE A 86 14.125 6.477 -47.041 1.00 11.21 H new ATOM 0 HD11 ILE A 86 10.340 7.495 -44.667 1.00 63.41 H new ATOM 0 HD12 ILE A 86 9.689 6.569 -46.040 1.00 63.41 H new ATOM 0 HD13 ILE A 86 10.990 5.881 -45.040 1.00 63.41 H new ATOM 1302 N ASP A 87 11.750 5.864 -50.669 1.00 50.21 N ATOM 1303 CA ASP A 87 12.065 4.967 -51.774 1.00 61.54 C ATOM 1304 C ASP A 87 12.909 5.678 -52.827 1.00 73.01 C ATOM 1305 O ASP A 87 13.599 5.037 -53.619 1.00 74.03 O ATOM 1306 CB ASP A 87 10.779 4.433 -52.408 1.00 35.13 C ATOM 1307 CG ASP A 87 11.038 3.695 -53.707 1.00 41.55 C ATOM 1308 OD1 ASP A 87 11.150 4.362 -54.757 1.00 61.45 O ATOM 1309 OD2 ASP A 87 11.128 2.450 -53.673 1.00 51.34 O1- ATOM 0 H ASP A 87 10.752 6.003 -50.510 1.00 50.21 H new ATOM 0 HA ASP A 87 12.640 4.130 -51.378 1.00 61.54 H new ATOM 0 HB2 ASP A 87 10.282 3.764 -51.706 1.00 35.13 H new ATOM 0 HB3 ASP A 87 10.097 5.263 -52.594 1.00 35.13 H new ATOM 1314 N GLN A 88 12.848 7.006 -52.829 1.00 32.35 N ATOM 1315 CA GLN A 88 13.605 7.803 -53.787 1.00 71.22 C ATOM 1316 C GLN A 88 15.080 7.861 -53.401 1.00 44.01 C ATOM 1317 O GLN A 88 15.947 8.053 -54.253 1.00 30.30 O ATOM 1318 CB GLN A 88 13.032 9.219 -53.870 1.00 71.55 C ATOM 1319 CG GLN A 88 13.655 10.187 -52.877 1.00 72.24 C ATOM 1320 CD GLN A 88 12.743 11.353 -52.549 1.00 74.11 C ATOM 1321 OE1 GLN A 88 11.552 11.332 -52.861 1.00 14.12 O ATOM 1322 NE2 GLN A 88 13.299 12.378 -51.914 1.00 31.43 N ATOM 0 H GLN A 88 12.283 7.552 -52.179 1.00 32.35 H new ATOM 0 HA GLN A 88 13.522 7.327 -54.764 1.00 71.22 H new ATOM 0 HB2 GLN A 88 13.179 9.603 -54.880 1.00 71.55 H new ATOM 0 HB3 GLN A 88 11.956 9.177 -53.698 1.00 71.55 H new ATOM 0 HG2 GLN A 88 13.900 9.653 -51.959 1.00 72.24 H new ATOM 0 HG3 GLN A 88 14.592 10.567 -53.284 1.00 72.24 H new ATOM 0 HE21 GLN A 88 14.290 12.353 -51.675 1.00 31.43 H new ATOM 0 HE22 GLN A 88 12.735 13.191 -51.665 1.00 31.43 H new ATOM 1331 N ALA A 89 15.357 7.694 -52.112 1.00 43.05 N ATOM 1332 CA ALA A 89 16.726 7.726 -51.614 1.00 33.15 C ATOM 1333 C ALA A 89 17.470 6.444 -51.973 1.00 24.14 C ATOM 1334 O ALA A 89 16.857 5.439 -52.335 1.00 71.13 O ATOM 1335 CB ALA A 89 16.735 7.939 -50.107 1.00 12.20 C ATOM 0 H ALA A 89 14.651 7.535 -51.394 1.00 43.05 H new ATOM 0 HA ALA A 89 17.241 8.560 -52.091 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.764 7.961 -49.749 1.00 12.20 H new ATOM 0 HB2 ALA A 89 16.248 8.885 -49.870 1.00 12.20 H new ATOM 0 HB3 ALA A 89 16.199 7.124 -49.621 1.00 12.20 H new ATOM 1341 N PHE A 90 18.795 6.485 -51.870 1.00 74.20 N ATOM 1342 CA PHE A 90 19.622 5.327 -52.185 1.00 75.52 C ATOM 1343 C PHE A 90 19.721 4.387 -50.987 1.00 71.45 C ATOM 1344 O PHE A 90 20.297 4.733 -49.958 1.00 12.24 O ATOM 1345 CB PHE A 90 21.022 5.775 -52.612 1.00 64.23 C ATOM 1346 CG PHE A 90 21.080 6.302 -54.017 1.00 13.13 C ATOM 1347 CD1 PHE A 90 21.332 7.642 -54.259 1.00 30.42 C ATOM 1348 CD2 PHE A 90 20.882 5.455 -55.097 1.00 65.35 C ATOM 1349 CE1 PHE A 90 21.386 8.130 -55.552 1.00 45.43 C ATOM 1350 CE2 PHE A 90 20.936 5.937 -56.391 1.00 31.34 C ATOM 1351 CZ PHE A 90 21.188 7.275 -56.618 1.00 1.02 C ATOM 0 H PHE A 90 19.318 7.308 -51.571 1.00 74.20 H new ATOM 0 HA PHE A 90 19.152 4.790 -53.009 1.00 75.52 H new ATOM 0 HB2 PHE A 90 21.372 6.548 -51.928 1.00 64.23 H new ATOM 0 HB3 PHE A 90 21.708 4.933 -52.520 1.00 64.23 H new ATOM 0 HD1 PHE A 90 21.488 8.314 -53.428 1.00 30.42 H new ATOM 0 HD2 PHE A 90 20.683 4.407 -54.925 1.00 65.35 H new ATOM 0 HE1 PHE A 90 21.583 9.177 -55.727 1.00 45.43 H new ATOM 0 HE2 PHE A 90 20.781 5.267 -57.224 1.00 31.34 H new ATOM 0 HZ PHE A 90 21.230 7.653 -57.629 1.00 1.02 H new ATOM 1361 N GLY A 91 19.151 3.193 -51.131 1.00 12.51 N ATOM 1362 CA GLY A 91 19.184 2.222 -50.054 1.00 14.41 C ATOM 1363 C GLY A 91 18.689 2.794 -48.741 1.00 73.13 C ATOM 1364 O GLY A 91 19.257 2.521 -47.684 1.00 4.35 O ATOM 0 H GLY A 91 18.668 2.882 -51.974 1.00 12.51 H new ATOM 0 HA2 GLY A 91 18.572 1.362 -50.326 1.00 14.41 H new ATOM 0 HA3 GLY A 91 20.204 1.860 -49.927 1.00 14.41 H new ATOM 1368 N ALA A 92 17.627 3.590 -48.807 1.00 4.24 N ATOM 1369 CA ALA A 92 17.055 4.201 -47.614 1.00 70.22 C ATOM 1370 C ALA A 92 15.901 3.368 -47.070 1.00 24.25 C ATOM 1371 O ALA A 92 14.985 3.000 -47.806 1.00 13.15 O ATOM 1372 CB ALA A 92 16.589 5.617 -47.919 1.00 0.13 C ATOM 0 H ALA A 92 17.145 3.827 -49.674 1.00 4.24 H new ATOM 0 HA ALA A 92 17.830 4.242 -46.849 1.00 70.22 H new ATOM 0 HB1 ALA A 92 16.164 6.062 -47.019 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.437 6.215 -48.254 1.00 0.13 H new ATOM 0 HB3 ALA A 92 15.832 5.590 -48.703 1.00 0.13 H new ATOM 1378 N THR A 93 15.949 3.073 -45.774 1.00 45.11 N ATOM 1379 CA THR A 93 14.908 2.280 -45.132 1.00 43.04 C ATOM 1380 C THR A 93 13.944 3.168 -44.353 1.00 51.13 C ATOM 1381 O THR A 93 14.339 4.191 -43.796 1.00 12.44 O ATOM 1382 CB THR A 93 15.509 1.233 -44.176 1.00 14.42 C ATOM 1383 OG1 THR A 93 16.844 0.909 -44.580 1.00 31.50 O ATOM 1384 CG2 THR A 93 14.660 -0.029 -44.154 1.00 75.11 C ATOM 0 H THR A 93 16.698 3.372 -45.149 1.00 45.11 H new ATOM 0 HA THR A 93 14.366 1.767 -45.926 1.00 43.04 H new ATOM 0 HB THR A 93 15.527 1.658 -43.172 1.00 14.42 H new ATOM 0 HG1 THR A 93 17.219 0.244 -43.966 1.00 31.50 H new ATOM 0 HG21 THR A 93 15.104 -0.754 -43.472 1.00 75.11 H new ATOM 0 HG22 THR A 93 13.653 0.216 -43.818 1.00 75.11 H new ATOM 0 HG23 THR A 93 14.614 -0.454 -45.157 1.00 75.11 H new ATOM 1392 N GLY A 94 12.676 2.769 -44.318 1.00 64.34 N ATOM 1393 CA GLY A 94 11.675 3.540 -43.604 1.00 73.52 C ATOM 1394 C GLY A 94 12.048 3.772 -42.153 1.00 11.42 C ATOM 1395 O GLY A 94 11.575 4.721 -41.525 1.00 75.13 O ATOM 0 H GLY A 94 12.324 1.926 -44.771 1.00 64.34 H new ATOM 0 HA2 GLY A 94 11.540 4.501 -44.099 1.00 73.52 H new ATOM 0 HA3 GLY A 94 10.718 3.020 -43.651 1.00 73.52 H new ATOM 1399 N THR A 95 12.898 2.902 -41.616 1.00 3.02 N ATOM 1400 CA THR A 95 13.332 3.015 -40.229 1.00 45.00 C ATOM 1401 C THR A 95 14.320 4.164 -40.053 1.00 1.41 C ATOM 1402 O THR A 95 14.774 4.440 -38.943 1.00 53.40 O ATOM 1403 CB THR A 95 13.988 1.710 -39.738 1.00 64.24 C ATOM 1404 OG1 THR A 95 15.302 1.585 -40.291 1.00 24.23 O ATOM 1405 CG2 THR A 95 13.149 0.503 -40.130 1.00 23.25 C ATOM 0 H THR A 95 13.299 2.112 -42.121 1.00 3.02 H new ATOM 0 HA THR A 95 12.440 3.212 -39.634 1.00 45.00 H new ATOM 0 HB THR A 95 14.055 1.748 -38.651 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.713 0.754 -39.973 1.00 24.23 H new ATOM 0 HG21 THR A 95 13.631 -0.407 -39.773 1.00 23.25 H new ATOM 0 HG22 THR A 95 12.158 0.588 -39.683 1.00 23.25 H new ATOM 0 HG23 THR A 95 13.055 0.462 -41.215 1.00 23.25 H new ATOM 1413 N SER A 96 14.647 4.830 -41.155 1.00 4.44 N ATOM 1414 CA SER A 96 15.583 5.947 -41.123 1.00 60.11 C ATOM 1415 C SER A 96 14.853 7.261 -40.861 1.00 71.41 C ATOM 1416 O SER A 96 15.474 8.282 -40.565 1.00 10.54 O ATOM 1417 CB SER A 96 16.354 6.033 -42.442 1.00 33.34 C ATOM 1418 OG SER A 96 17.459 6.913 -42.330 1.00 54.01 O ATOM 0 H SER A 96 14.278 4.616 -42.081 1.00 4.44 H new ATOM 0 HA SER A 96 16.288 5.774 -40.309 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.703 5.041 -42.728 1.00 33.34 H new ATOM 0 HB3 SER A 96 15.689 6.378 -43.234 1.00 33.34 H new ATOM 0 HG SER A 96 17.274 7.585 -41.641 1.00 54.01 H new ATOM 1424 N ARG A 97 13.528 7.227 -40.972 1.00 14.14 N ATOM 1425 CA ARG A 97 12.712 8.414 -40.749 1.00 44.44 C ATOM 1426 C ARG A 97 11.772 8.211 -39.565 1.00 41.24 C ATOM 1427 O ARG A 97 11.100 7.185 -39.460 1.00 64.24 O ATOM 1428 CB ARG A 97 11.904 8.746 -42.004 1.00 70.20 C ATOM 1429 CG ARG A 97 11.917 10.223 -42.364 1.00 33.41 C ATOM 1430 CD ARG A 97 10.747 10.589 -43.262 1.00 21.13 C ATOM 1431 NE ARG A 97 10.634 12.032 -43.454 1.00 44.32 N ATOM 1432 CZ ARG A 97 10.113 12.855 -42.550 1.00 45.23 C ATOM 1433 NH1 ARG A 97 9.661 12.380 -41.398 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 10.045 14.157 -42.799 1.00 33.05 N ATOM 0 H ARG A 97 12.998 6.390 -41.215 1.00 14.14 H new ATOM 0 HA ARG A 97 13.379 9.246 -40.524 1.00 44.44 H new ATOM 0 HB2 ARG A 97 12.299 8.173 -42.843 1.00 70.20 H new ATOM 0 HB3 ARG A 97 10.873 8.426 -41.857 1.00 70.20 H new ATOM 0 HG2 ARG A 97 11.879 10.821 -41.453 1.00 33.41 H new ATOM 0 HG3 ARG A 97 12.853 10.468 -42.866 1.00 33.41 H new ATOM 0 HD2 ARG A 97 10.867 10.103 -44.230 1.00 21.13 H new ATOM 0 HD3 ARG A 97 9.823 10.208 -42.827 1.00 21.13 H new ATOM 0 HE ARG A 97 10.973 12.430 -44.330 1.00 44.32 H new ATOM 0 HH11 ARG A 97 9.713 11.380 -41.203 1.00 54.10 H new ATOM 0 HH12 ARG A 97 9.262 13.014 -40.706 1.00 54.10 H new ATOM 0 HH21 ARG A 97 10.393 14.526 -43.684 1.00 33.05 H new ATOM 0 HH22 ARG A 97 9.645 14.789 -42.105 1.00 33.05 H new ATOM 1448 N LEU A 98 11.729 9.197 -38.675 1.00 2.12 N ATOM 1449 CA LEU A 98 10.872 9.128 -37.497 1.00 73.45 C ATOM 1450 C LEU A 98 10.590 10.521 -36.946 1.00 21.34 C ATOM 1451 O LEU A 98 11.067 11.521 -37.482 1.00 13.34 O ATOM 1452 CB LEU A 98 11.523 8.261 -36.418 1.00 23.22 C ATOM 1453 CG LEU A 98 13.034 8.421 -36.250 1.00 64.21 C ATOM 1454 CD1 LEU A 98 13.372 9.816 -35.749 1.00 54.22 C ATOM 1455 CD2 LEU A 98 13.580 7.364 -35.301 1.00 44.21 C ATOM 0 H LEU A 98 12.278 10.054 -38.747 1.00 2.12 H new ATOM 0 HA LEU A 98 9.925 8.677 -37.793 1.00 73.45 H new ATOM 0 HB2 LEU A 98 11.046 8.484 -35.464 1.00 23.22 H new ATOM 0 HB3 LEU A 98 11.311 7.216 -36.643 1.00 23.22 H new ATOM 0 HG LEU A 98 13.504 8.284 -37.224 1.00 64.21 H new ATOM 0 HD11 LEU A 98 14.452 9.910 -35.636 1.00 54.22 H new ATOM 0 HD12 LEU A 98 13.016 10.556 -36.466 1.00 54.22 H new ATOM 0 HD13 LEU A 98 12.890 9.983 -34.786 1.00 54.22 H new ATOM 0 HD21 LEU A 98 14.657 7.493 -35.193 1.00 44.21 H new ATOM 0 HD22 LEU A 98 13.103 7.468 -34.327 1.00 44.21 H new ATOM 0 HD23 LEU A 98 13.372 6.372 -35.702 1.00 44.21 H new ATOM 1467 N GLY A 99 9.813 10.581 -35.868 1.00 65.55 N ATOM 1468 CA GLY A 99 9.484 11.857 -35.260 1.00 71.01 C ATOM 1469 C GLY A 99 10.581 12.363 -34.344 1.00 52.33 C ATOM 1470 O GLY A 99 11.747 11.997 -34.496 1.00 62.04 O ATOM 0 H GLY A 99 9.406 9.768 -35.405 1.00 65.55 H new ATOM 0 HA2 GLY A 99 9.301 12.593 -36.043 1.00 71.01 H new ATOM 0 HA3 GLY A 99 8.558 11.758 -34.693 1.00 71.01 H new ATOM 1474 N CYS A 100 10.208 13.209 -33.389 1.00 23.20 N ATOM 1475 CA CYS A 100 11.169 13.768 -32.445 1.00 42.23 C ATOM 1476 C CYS A 100 10.573 13.840 -31.041 1.00 61.43 C ATOM 1477 O CYS A 100 10.580 14.895 -30.408 1.00 22.54 O ATOM 1478 CB CYS A 100 11.606 15.162 -32.897 1.00 12.14 C ATOM 1479 SG CYS A 100 13.311 15.597 -32.420 1.00 33.11 S ATOM 0 H CYS A 100 9.248 13.522 -33.248 1.00 23.20 H new ATOM 0 HA CYS A 100 12.039 13.112 -32.418 1.00 42.23 H new ATOM 0 HB2 CYS A 100 11.516 15.226 -33.981 1.00 12.14 H new ATOM 0 HB3 CYS A 100 10.923 15.900 -32.476 1.00 12.14 H new ATOM 0 HG CYS A 100 13.590 16.793 -32.848 1.00 33.11 H new ATOM 1484 N GLN A 101 10.060 12.711 -30.564 1.00 51.23 N ATOM 1485 CA GLN A 101 9.461 12.646 -29.236 1.00 32.50 C ATOM 1486 C GLN A 101 8.972 11.235 -28.928 1.00 24.44 C ATOM 1487 O GLN A 101 7.882 10.840 -29.344 1.00 62.34 O ATOM 1488 CB GLN A 101 8.300 13.636 -29.129 1.00 54.33 C ATOM 1489 CG GLN A 101 7.371 13.617 -30.332 1.00 51.15 C ATOM 1490 CD GLN A 101 6.265 14.649 -30.232 1.00 64.22 C ATOM 1491 OE1 GLN A 101 6.525 15.840 -30.062 1.00 14.41 O ATOM 1492 NE2 GLN A 101 5.021 14.196 -30.338 1.00 64.44 N ATOM 0 H GLN A 101 10.047 11.829 -31.077 1.00 51.23 H new ATOM 0 HA GLN A 101 10.225 12.913 -28.506 1.00 32.50 H new ATOM 0 HB2 GLN A 101 7.723 13.411 -28.232 1.00 54.33 H new ATOM 0 HB3 GLN A 101 8.701 14.642 -29.006 1.00 54.33 H new ATOM 0 HG2 GLN A 101 7.951 13.798 -31.237 1.00 51.15 H new ATOM 0 HG3 GLN A 101 6.929 12.625 -30.430 1.00 51.15 H new ATOM 0 HE21 GLN A 101 4.851 13.200 -30.478 1.00 64.44 H new ATOM 0 HE22 GLN A 101 4.236 14.844 -30.279 1.00 64.44 H new ATOM 1501 N LEU A 102 9.783 10.479 -28.196 1.00 65.25 N ATOM 1502 CA LEU A 102 9.433 9.111 -27.832 1.00 63.32 C ATOM 1503 C LEU A 102 9.620 8.881 -26.335 1.00 43.03 C ATOM 1504 O LEU A 102 10.331 9.631 -25.666 1.00 43.45 O ATOM 1505 CB LEU A 102 10.286 8.118 -28.622 1.00 54.24 C ATOM 1506 CG LEU A 102 9.829 7.829 -30.052 1.00 12.13 C ATOM 1507 CD1 LEU A 102 9.955 9.075 -30.915 1.00 65.13 C ATOM 1508 CD2 LEU A 102 10.632 6.682 -30.648 1.00 5.14 C ATOM 0 H LEU A 102 10.688 10.791 -27.843 1.00 65.25 H new ATOM 0 HA LEU A 102 8.383 8.954 -28.077 1.00 63.32 H new ATOM 0 HB2 LEU A 102 11.308 8.496 -28.658 1.00 54.24 H new ATOM 0 HB3 LEU A 102 10.313 7.176 -28.073 1.00 54.24 H new ATOM 0 HG LEU A 102 8.780 7.535 -30.025 1.00 12.13 H new ATOM 0 HD11 LEU A 102 9.625 8.850 -31.929 1.00 65.13 H new ATOM 0 HD12 LEU A 102 9.335 9.869 -30.500 1.00 65.13 H new ATOM 0 HD13 LEU A 102 10.995 9.400 -30.935 1.00 65.13 H new ATOM 0 HD21 LEU A 102 10.293 6.491 -31.666 1.00 5.14 H new ATOM 0 HD22 LEU A 102 11.689 6.947 -30.662 1.00 5.14 H new ATOM 0 HD23 LEU A 102 10.490 5.786 -30.044 1.00 5.14 H new ATOM 1520 N ARG A 103 8.978 7.839 -25.817 1.00 52.25 N ATOM 1521 CA ARG A 103 9.074 7.510 -24.400 1.00 12.23 C ATOM 1522 C ARG A 103 9.747 6.154 -24.202 1.00 22.20 C ATOM 1523 O ARG A 103 9.967 5.412 -25.159 1.00 3.34 O ATOM 1524 CB ARG A 103 7.685 7.500 -23.762 1.00 33.05 C ATOM 1525 CG ARG A 103 7.223 8.868 -23.286 1.00 62.04 C ATOM 1526 CD ARG A 103 6.420 8.770 -21.999 1.00 70.21 C ATOM 1527 NE ARG A 103 4.995 9.003 -22.223 1.00 53.42 N ATOM 1528 CZ ARG A 103 4.146 9.343 -21.261 1.00 21.50 C ATOM 1529 NH1 ARG A 103 4.575 9.489 -20.015 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 2.865 9.539 -21.543 1.00 43.51 N ATOM 0 H ARG A 103 8.386 7.208 -26.357 1.00 52.25 H new ATOM 0 HA ARG A 103 9.683 8.273 -23.915 1.00 12.23 H new ATOM 0 HB2 ARG A 103 6.966 7.114 -24.484 1.00 33.05 H new ATOM 0 HB3 ARG A 103 7.688 6.812 -22.916 1.00 33.05 H new ATOM 0 HG2 ARG A 103 8.089 9.510 -23.127 1.00 62.04 H new ATOM 0 HG3 ARG A 103 6.616 9.337 -24.060 1.00 62.04 H new ATOM 0 HD2 ARG A 103 6.561 7.783 -21.558 1.00 70.21 H new ATOM 0 HD3 ARG A 103 6.797 9.497 -21.280 1.00 70.21 H new ATOM 0 HE ARG A 103 4.633 8.899 -23.171 1.00 53.42 H new ATOM 0 HH11 ARG A 103 5.560 9.340 -19.794 1.00 52.01 H new ATOM 0 HH12 ARG A 103 3.921 9.750 -19.278 1.00 52.01 H new ATOM 0 HH21 ARG A 103 2.531 9.428 -22.500 1.00 43.51 H new ATOM 0 HH22 ARG A 103 2.214 9.800 -20.803 1.00 43.51 H new ATOM 1544 N VAL A 104 10.071 5.838 -22.952 1.00 21.01 N ATOM 1545 CA VAL A 104 10.717 4.571 -22.627 1.00 23.15 C ATOM 1546 C VAL A 104 9.700 3.544 -22.143 1.00 51.50 C ATOM 1547 O VAL A 104 9.039 3.743 -21.123 1.00 20.41 O ATOM 1548 CB VAL A 104 11.800 4.756 -21.546 1.00 3.52 C ATOM 1549 CG1 VAL A 104 12.425 3.417 -21.185 1.00 0.25 C ATOM 1550 CG2 VAL A 104 12.860 5.740 -22.017 1.00 72.24 C ATOM 0 H VAL A 104 9.897 6.441 -22.148 1.00 21.01 H new ATOM 0 HA VAL A 104 11.185 4.209 -23.542 1.00 23.15 H new ATOM 0 HB VAL A 104 11.331 5.165 -20.651 1.00 3.52 H new ATOM 0 HG11 VAL A 104 13.188 3.566 -20.421 1.00 0.25 H new ATOM 0 HG12 VAL A 104 11.655 2.747 -20.804 1.00 0.25 H new ATOM 0 HG13 VAL A 104 12.881 2.978 -22.072 1.00 0.25 H new ATOM 0 HG21 VAL A 104 13.617 5.859 -21.241 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.328 5.363 -22.926 1.00 72.24 H new ATOM 0 HG23 VAL A 104 12.396 6.705 -22.221 1.00 72.24 H new ATOM 1560 N ASP A 105 9.582 2.445 -22.880 1.00 71.13 N ATOM 1561 CA ASP A 105 8.647 1.384 -22.525 1.00 40.04 C ATOM 1562 C ASP A 105 9.290 0.012 -22.697 1.00 72.04 C ATOM 1563 O ASP A 105 10.435 -0.098 -23.138 1.00 10.30 O ATOM 1564 CB ASP A 105 7.384 1.480 -23.384 1.00 44.20 C ATOM 1565 CG ASP A 105 6.722 2.841 -23.291 1.00 65.14 C ATOM 1566 OD1 ASP A 105 6.734 3.576 -24.300 1.00 23.23 O ATOM 1567 OD2 ASP A 105 6.192 3.169 -22.209 1.00 33.31 O1- ATOM 0 H ASP A 105 10.122 2.266 -23.727 1.00 71.13 H new ATOM 0 HA ASP A 105 8.375 1.509 -21.477 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.639 1.273 -24.424 1.00 44.20 H new ATOM 0 HB3 ASP A 105 6.676 0.713 -23.071 1.00 44.20 H new ATOM 1572 N LYS A 106 8.549 -1.033 -22.345 1.00 24.41 N ATOM 1573 CA LYS A 106 9.046 -2.398 -22.459 1.00 72.51 C ATOM 1574 C LYS A 106 9.385 -2.734 -23.908 1.00 64.01 C ATOM 1575 O LYS A 106 10.295 -3.519 -24.177 1.00 34.22 O ATOM 1576 CB LYS A 106 8.009 -3.387 -21.924 1.00 13.33 C ATOM 1577 CG LYS A 106 8.618 -4.627 -21.295 1.00 33.41 C ATOM 1578 CD LYS A 106 7.568 -5.695 -21.036 1.00 30.24 C ATOM 1579 CE LYS A 106 8.205 -7.052 -20.780 1.00 13.42 C ATOM 1580 NZ LYS A 106 7.210 -8.049 -20.296 1.00 24.12 N1+ ATOM 0 H LYS A 106 7.600 -0.960 -21.978 1.00 24.41 H new ATOM 0 HA LYS A 106 9.955 -2.478 -21.863 1.00 72.51 H new ATOM 0 HB2 LYS A 106 7.387 -2.883 -21.184 1.00 13.33 H new ATOM 0 HB3 LYS A 106 7.353 -3.689 -22.740 1.00 13.33 H new ATOM 0 HG2 LYS A 106 9.391 -5.027 -21.952 1.00 33.41 H new ATOM 0 HG3 LYS A 106 9.104 -4.359 -20.357 1.00 33.41 H new ATOM 0 HD2 LYS A 106 6.961 -5.409 -20.177 1.00 30.24 H new ATOM 0 HD3 LYS A 106 6.897 -5.762 -21.892 1.00 30.24 H new ATOM 0 HE2 LYS A 106 8.666 -7.416 -21.698 1.00 13.42 H new ATOM 0 HE3 LYS A 106 9.001 -6.946 -20.043 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 7.683 -8.961 -20.133 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 6.788 -7.714 -19.406 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 6.463 -8.169 -21.010 1.00 24.12 H new ATOM 1594 N SER A 107 8.649 -2.134 -24.838 1.00 1.32 N ATOM 1595 CA SER A 107 8.871 -2.371 -26.259 1.00 32.25 C ATOM 1596 C SER A 107 10.241 -1.858 -26.689 1.00 64.51 C ATOM 1597 O SER A 107 10.771 -2.261 -27.724 1.00 35.32 O ATOM 1598 CB SER A 107 7.777 -1.694 -27.088 1.00 25.21 C ATOM 1599 OG SER A 107 6.511 -2.277 -26.835 1.00 60.12 O ATOM 0 H SER A 107 7.894 -1.480 -24.633 1.00 1.32 H new ATOM 0 HA SER A 107 8.835 -3.447 -26.432 1.00 32.25 H new ATOM 0 HB2 SER A 107 7.744 -0.630 -26.853 1.00 25.21 H new ATOM 0 HB3 SER A 107 8.015 -1.779 -28.148 1.00 25.21 H new ATOM 0 HG SER A 107 5.805 -1.675 -27.149 1.00 60.12 H new ATOM 1605 N PHE A 108 10.810 -0.965 -25.886 1.00 54.12 N ATOM 1606 CA PHE A 108 12.118 -0.394 -26.182 1.00 31.34 C ATOM 1607 C PHE A 108 13.234 -1.290 -25.655 1.00 52.43 C ATOM 1608 O PHE A 108 14.413 -0.943 -25.733 1.00 20.31 O ATOM 1609 CB PHE A 108 12.239 1.004 -25.570 1.00 33.33 C ATOM 1610 CG PHE A 108 11.725 2.095 -26.464 1.00 11.41 C ATOM 1611 CD1 PHE A 108 12.408 3.297 -26.576 1.00 41.10 C ATOM 1612 CD2 PHE A 108 10.559 1.922 -27.192 1.00 23.10 C ATOM 1613 CE1 PHE A 108 11.938 4.303 -27.398 1.00 64.01 C ATOM 1614 CE2 PHE A 108 10.084 2.925 -28.015 1.00 0.32 C ATOM 1615 CZ PHE A 108 10.774 4.118 -28.118 1.00 71.21 C ATOM 0 H PHE A 108 10.385 -0.621 -25.025 1.00 54.12 H new ATOM 0 HA PHE A 108 12.217 -0.319 -27.265 1.00 31.34 H new ATOM 0 HB2 PHE A 108 11.691 1.028 -24.628 1.00 33.33 H new ATOM 0 HB3 PHE A 108 13.285 1.200 -25.335 1.00 33.33 H new ATOM 0 HD1 PHE A 108 13.318 3.448 -26.014 1.00 41.10 H new ATOM 0 HD2 PHE A 108 10.015 0.992 -27.115 1.00 23.10 H new ATOM 0 HE1 PHE A 108 12.480 5.234 -27.478 1.00 64.01 H new ATOM 0 HE2 PHE A 108 9.174 2.777 -28.577 1.00 0.32 H new ATOM 0 HZ PHE A 108 10.404 4.904 -28.760 1.00 71.21 H new ATOM 1625 N GLU A 109 12.854 -2.445 -25.117 1.00 45.42 N ATOM 1626 CA GLU A 109 13.823 -3.391 -24.575 1.00 14.13 C ATOM 1627 C GLU A 109 14.846 -3.788 -25.635 1.00 53.04 C ATOM 1628 O GLU A 109 14.488 -4.279 -26.705 1.00 0.14 O ATOM 1629 CB GLU A 109 13.111 -4.637 -24.044 1.00 15.44 C ATOM 1630 CG GLU A 109 14.017 -5.566 -23.254 1.00 21.13 C ATOM 1631 CD GLU A 109 13.332 -6.864 -22.874 1.00 40.23 C ATOM 1632 OE1 GLU A 109 12.752 -6.928 -21.770 1.00 23.25 O ATOM 1633 OE2 GLU A 109 13.377 -7.818 -23.681 1.00 62.22 O1- ATOM 0 H GLU A 109 11.883 -2.748 -25.045 1.00 45.42 H new ATOM 0 HA GLU A 109 14.348 -2.904 -23.753 1.00 14.13 H new ATOM 0 HB2 GLU A 109 12.280 -4.328 -23.410 1.00 15.44 H new ATOM 0 HB3 GLU A 109 12.684 -5.186 -24.883 1.00 15.44 H new ATOM 0 HG2 GLU A 109 14.907 -5.788 -23.844 1.00 21.13 H new ATOM 0 HG3 GLU A 109 14.352 -5.058 -22.350 1.00 21.13 H new ATOM 1640 N ASN A 110 16.121 -3.574 -25.329 1.00 40.22 N ATOM 1641 CA ASN A 110 17.197 -3.909 -26.255 1.00 12.52 C ATOM 1642 C ASN A 110 17.041 -3.148 -27.568 1.00 14.11 C ATOM 1643 O ASN A 110 17.508 -3.594 -28.615 1.00 14.41 O ATOM 1644 CB ASN A 110 17.216 -5.415 -26.524 1.00 53.45 C ATOM 1645 CG ASN A 110 18.024 -6.176 -25.492 1.00 14.25 C ATOM 1646 OD1 ASN A 110 18.797 -5.589 -24.735 1.00 53.03 O ATOM 1647 ND2 ASN A 110 17.850 -7.493 -25.458 1.00 13.04 N ATOM 0 H ASN A 110 16.435 -3.170 -24.447 1.00 40.22 H new ATOM 0 HA ASN A 110 18.142 -3.617 -25.797 1.00 12.52 H new ATOM 0 HB2 ASN A 110 16.194 -5.793 -26.532 1.00 53.45 H new ATOM 0 HB3 ASN A 110 17.631 -5.599 -27.515 1.00 53.45 H new ATOM 0 HD21 ASN A 110 18.368 -8.059 -24.785 1.00 13.04 H new ATOM 0 HD22 ASN A 110 17.199 -7.938 -26.104 1.00 13.04 H new ATOM 1654 N ALA A 111 16.381 -1.996 -27.503 1.00 11.53 N ATOM 1655 CA ALA A 111 16.166 -1.172 -28.685 1.00 33.33 C ATOM 1656 C ALA A 111 17.477 -0.573 -29.183 1.00 12.12 C ATOM 1657 O ALA A 111 18.293 -0.097 -28.394 1.00 32.25 O ATOM 1658 CB ALA A 111 15.161 -0.070 -28.385 1.00 12.32 C ATOM 0 H ALA A 111 15.986 -1.613 -26.644 1.00 11.53 H new ATOM 0 HA ALA A 111 15.765 -1.809 -29.473 1.00 33.33 H new ATOM 0 HB1 ALA A 111 15.010 0.538 -29.277 1.00 12.32 H new ATOM 0 HB2 ALA A 111 14.212 -0.515 -28.084 1.00 12.32 H new ATOM 0 HB3 ALA A 111 15.539 0.558 -27.578 1.00 12.32 H new ATOM 1664 N VAL A 112 17.674 -0.601 -30.497 1.00 73.01 N ATOM 1665 CA VAL A 112 18.886 -0.061 -31.101 1.00 70.21 C ATOM 1666 C VAL A 112 18.591 1.217 -31.878 1.00 23.10 C ATOM 1667 O VAL A 112 17.761 1.226 -32.788 1.00 15.11 O ATOM 1668 CB VAL A 112 19.546 -1.083 -32.047 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.892 -0.568 -32.532 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.698 -2.428 -31.353 1.00 42.04 C ATOM 0 H VAL A 112 17.009 -0.992 -31.164 1.00 73.01 H new ATOM 0 HA VAL A 112 19.573 0.164 -30.285 1.00 70.21 H new ATOM 0 HB VAL A 112 18.902 -1.219 -32.916 1.00 32.45 H new ATOM 0 HG11 VAL A 112 21.344 -1.302 -33.199 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.751 0.370 -33.068 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.548 -0.402 -31.677 1.00 55.14 H new ATOM 0 HG21 VAL A 112 20.166 -3.138 -32.035 1.00 42.04 H new ATOM 0 HG22 VAL A 112 20.321 -2.312 -30.466 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.716 -2.799 -31.060 1.00 42.04 H new ATOM 1680 N PHE A 113 19.275 2.296 -31.514 1.00 22.12 N ATOM 1681 CA PHE A 113 19.086 3.581 -32.176 1.00 61.43 C ATOM 1682 C PHE A 113 20.334 3.978 -32.961 1.00 43.11 C ATOM 1683 O PHE A 113 21.333 4.407 -32.385 1.00 11.30 O ATOM 1684 CB PHE A 113 18.750 4.664 -31.149 1.00 14.33 C ATOM 1685 CG PHE A 113 17.530 4.357 -30.330 1.00 71.43 C ATOM 1686 CD1 PHE A 113 17.598 3.472 -29.266 1.00 12.52 C ATOM 1687 CD2 PHE A 113 16.313 4.951 -30.626 1.00 14.45 C ATOM 1688 CE1 PHE A 113 16.477 3.187 -28.509 1.00 3.02 C ATOM 1689 CE2 PHE A 113 15.189 4.670 -29.873 1.00 40.02 C ATOM 1690 CZ PHE A 113 15.271 3.785 -28.815 1.00 54.32 C ATOM 0 H PHE A 113 19.966 2.306 -30.764 1.00 22.12 H new ATOM 0 HA PHE A 113 18.255 3.482 -32.874 1.00 61.43 H new ATOM 0 HB2 PHE A 113 19.601 4.797 -30.482 1.00 14.33 H new ATOM 0 HB3 PHE A 113 18.601 5.611 -31.668 1.00 14.33 H new ATOM 0 HD1 PHE A 113 18.539 2.999 -29.025 1.00 12.52 H new ATOM 0 HD2 PHE A 113 16.243 5.641 -31.454 1.00 14.45 H new ATOM 0 HE1 PHE A 113 16.545 2.498 -27.680 1.00 3.02 H new ATOM 0 HE2 PHE A 113 14.247 5.142 -30.111 1.00 40.02 H new ATOM 0 HZ PHE A 113 14.392 3.561 -28.228 1.00 54.32 H new ATOM 1700 N THR A 114 20.267 3.829 -34.281 1.00 30.22 N ATOM 1701 CA THR A 114 21.390 4.169 -35.145 1.00 45.33 C ATOM 1702 C THR A 114 21.268 5.595 -35.671 1.00 52.03 C ATOM 1703 O THR A 114 20.311 5.929 -36.368 1.00 43.22 O ATOM 1704 CB THR A 114 21.494 3.200 -36.338 1.00 73.24 C ATOM 1705 OG1 THR A 114 21.820 1.886 -35.875 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.550 3.671 -37.328 1.00 73.44 C ATOM 0 H THR A 114 19.447 3.475 -34.774 1.00 30.22 H new ATOM 0 HA THR A 114 22.292 4.085 -34.539 1.00 45.33 H new ATOM 0 HB THR A 114 20.529 3.177 -36.844 1.00 73.24 H new ATOM 0 HG1 THR A 114 21.882 1.276 -36.639 1.00 32.32 H new ATOM 0 HG21 THR A 114 22.605 2.971 -38.162 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.283 4.660 -37.702 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.519 3.720 -36.831 1.00 73.44 H new ATOM 1714 N VAL A 115 22.243 6.432 -35.333 1.00 21.22 N ATOM 1715 CA VAL A 115 22.246 7.822 -35.773 1.00 72.13 C ATOM 1716 C VAL A 115 23.322 8.063 -36.825 1.00 32.00 C ATOM 1717 O VAL A 115 24.460 8.416 -36.515 1.00 71.13 O ATOM 1718 CB VAL A 115 22.472 8.784 -34.592 1.00 34.51 C ATOM 1719 CG1 VAL A 115 22.295 10.227 -35.037 1.00 32.02 C ATOM 1720 CG2 VAL A 115 21.529 8.451 -33.446 1.00 0.35 C ATOM 0 H VAL A 115 23.042 6.171 -34.755 1.00 21.22 H new ATOM 0 HA VAL A 115 21.266 8.018 -36.209 1.00 72.13 H new ATOM 0 HB VAL A 115 23.495 8.662 -34.237 1.00 34.51 H new ATOM 0 HG11 VAL A 115 22.459 10.892 -34.189 1.00 32.02 H new ATOM 0 HG12 VAL A 115 23.015 10.457 -35.822 1.00 32.02 H new ATOM 0 HG13 VAL A 115 21.284 10.368 -35.419 1.00 32.02 H new ATOM 0 HG21 VAL A 115 21.703 9.141 -32.620 1.00 0.35 H new ATOM 0 HG22 VAL A 115 20.497 8.543 -33.785 1.00 0.35 H new ATOM 0 HG23 VAL A 115 21.711 7.430 -33.110 1.00 0.35 H new ATOM 1730 N PRO A 116 22.956 7.869 -38.101 1.00 23.44 N ATOM 1731 CA PRO A 116 23.877 8.061 -39.225 1.00 12.20 C ATOM 1732 C PRO A 116 24.224 9.530 -39.446 1.00 62.14 C ATOM 1733 O PRO A 116 25.368 9.868 -39.754 1.00 15.32 O ATOM 1734 CB PRO A 116 23.095 7.512 -40.422 1.00 2.12 C ATOM 1735 CG PRO A 116 21.662 7.649 -40.033 1.00 24.01 C ATOM 1736 CD PRO A 116 21.617 7.448 -38.544 1.00 65.44 C ATOM 0 HA PRO A 116 24.833 7.564 -39.058 1.00 12.20 H new ATOM 0 HB2 PRO A 116 23.314 8.074 -41.330 1.00 2.12 H new ATOM 0 HB3 PRO A 116 23.354 6.472 -40.621 1.00 2.12 H new ATOM 0 HG2 PRO A 116 21.276 8.631 -40.306 1.00 24.01 H new ATOM 0 HG3 PRO A 116 21.046 6.910 -40.545 1.00 24.01 H new ATOM 0 HD2 PRO A 116 20.834 8.048 -38.081 1.00 65.44 H new ATOM 0 HD3 PRO A 116 21.417 6.408 -38.285 1.00 65.44 H new ATOM 1744 N ARG A 117 23.231 10.398 -39.286 1.00 4.04 N ATOM 1745 CA ARG A 117 23.433 11.831 -39.469 1.00 23.33 C ATOM 1746 C ARG A 117 24.376 12.387 -38.405 1.00 72.14 C ATOM 1747 O ARG A 117 24.559 11.784 -37.349 1.00 53.20 O ATOM 1748 CB ARG A 117 22.093 12.567 -39.414 1.00 24.40 C ATOM 1749 CG ARG A 117 21.413 12.697 -40.766 1.00 3.30 C ATOM 1750 CD ARG A 117 21.881 13.939 -41.509 1.00 34.14 C ATOM 1751 NE ARG A 117 23.263 13.815 -41.965 1.00 31.52 N ATOM 1752 CZ ARG A 117 23.629 13.080 -43.009 1.00 33.23 C ATOM 1753 NH1 ARG A 117 22.721 12.408 -43.703 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 24.907 13.018 -43.363 1.00 55.12 N ATOM 0 H ARG A 117 22.279 10.135 -39.030 1.00 4.04 H new ATOM 0 HA ARG A 117 23.886 11.987 -40.448 1.00 23.33 H new ATOM 0 HB2 ARG A 117 21.427 12.040 -38.731 1.00 24.40 H new ATOM 0 HB3 ARG A 117 22.252 13.563 -39.000 1.00 24.40 H new ATOM 0 HG2 ARG A 117 21.623 11.812 -41.367 1.00 3.30 H new ATOM 0 HG3 ARG A 117 20.333 12.740 -40.628 1.00 3.30 H new ATOM 0 HD2 ARG A 117 21.231 14.115 -42.366 1.00 34.14 H new ATOM 0 HD3 ARG A 117 21.791 14.807 -40.856 1.00 34.14 H new ATOM 0 HE ARG A 117 23.987 14.320 -41.454 1.00 31.52 H new ATOM 0 HH11 ARG A 117 21.738 12.454 -43.436 1.00 32.32 H new ATOM 0 HH12 ARG A 117 23.006 11.845 -44.504 1.00 32.32 H new ATOM 0 HH21 ARG A 117 25.609 13.535 -42.833 1.00 55.12 H new ATOM 0 HH22 ARG A 117 25.187 12.453 -44.165 1.00 55.12 H new