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 63 CYS SG : rot -125:sc= 0.325 USER MOD Set 1.2: A 100 CYS SG : rot 180:sc= 0.304 USER MOD Set 2.1: A 17 GLN : amide:sc= -2.44! C(o=-2.4!,f=-4.8!) USER MOD Set 2.2: A 35 CYS SG : rot 37:sc= 0.00114 USER MOD Single : A 23 LYS NZ :NH3+ -157:sc= -0.0508 (180deg=-0.356) USER MOD Single : A 24 THR OG1 : rot -78:sc= 1.95 USER MOD Single : A 25 MET CE :methyl -120:sc= -1.29 (180deg=-7.39!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0807 K(o=-0.081,f=-1.6!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 120:sc= -0.201 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.536 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.623 X(o=-0.62,f=-0.32) USER MOD Single : A 64 HIS : no HE2:sc= -0.533 X(o=-0.53,f=-0.94) USER MOD Single : A 72 TYR OH : rot -166:sc= 1.31 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0192 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= 0 X(o=0,f=0) 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 -24:sc= 0.105 USER MOD Single : A 101 GLN : amide:sc= -0.132 K(o=-0.13,f=-2.1!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.171 USER MOD ----------------------------------------------------------------- ATOM 153 N ARG A 13 3.971 4.711 -12.651 1.00 62.40 N ATOM 154 CA ARG A 13 3.634 4.215 -13.979 1.00 13.43 C ATOM 155 C ARG A 13 4.873 3.682 -14.692 1.00 51.13 C ATOM 156 O ARG A 13 5.920 3.487 -14.074 1.00 65.25 O ATOM 157 CB ARG A 13 2.990 5.324 -14.813 1.00 71.33 C ATOM 158 CG ARG A 13 1.869 6.055 -14.092 1.00 64.41 C ATOM 159 CD ARG A 13 0.677 5.144 -13.847 1.00 64.44 C ATOM 160 NE ARG A 13 -0.223 5.098 -14.997 1.00 53.53 N ATOM 161 CZ ARG A 13 -1.390 4.463 -14.991 1.00 72.45 C ATOM 162 NH1 ARG A 13 -1.797 3.825 -13.903 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 -2.153 4.466 -16.078 1.00 74.21 N ATOM 0 HA ARG A 13 2.923 3.397 -13.863 1.00 13.43 H new ATOM 0 HB2 ARG A 13 3.757 6.044 -15.099 1.00 71.33 H new ATOM 0 HB3 ARG A 13 2.598 4.893 -15.734 1.00 71.33 H new ATOM 0 HG2 ARG A 13 2.237 6.439 -13.140 1.00 64.41 H new ATOM 0 HG3 ARG A 13 1.555 6.915 -14.683 1.00 64.41 H new ATOM 0 HD2 ARG A 13 1.030 4.137 -13.623 1.00 64.44 H new ATOM 0 HD3 ARG A 13 0.129 5.492 -12.971 1.00 64.44 H new ATOM 0 HE ARG A 13 0.060 5.579 -15.851 1.00 53.53 H new ATOM 0 HH11 ARG A 13 -1.214 3.820 -13.066 1.00 1.02 H new ATOM 0 HH12 ARG A 13 -2.694 3.339 -13.902 1.00 1.02 H new ATOM 0 HH21 ARG A 13 -1.843 4.956 -16.917 1.00 74.21 H new ATOM 0 HH22 ARG A 13 -3.049 3.979 -16.074 1.00 74.21 H new ATOM 177 N ILE A 14 4.746 3.449 -15.993 1.00 31.23 N ATOM 178 CA ILE A 14 5.856 2.940 -16.789 1.00 21.45 C ATOM 179 C ILE A 14 6.275 1.550 -16.323 1.00 33.43 C ATOM 180 O ILE A 14 6.378 1.275 -15.127 1.00 4.22 O ATOM 181 CB ILE A 14 7.074 3.880 -16.725 1.00 63.41 C ATOM 182 CG1 ILE A 14 6.990 4.935 -17.831 1.00 40.21 C ATOM 183 CG2 ILE A 14 8.365 3.084 -16.840 1.00 71.10 C ATOM 184 CD1 ILE A 14 7.156 4.365 -19.222 1.00 72.40 C ATOM 0 H ILE A 14 3.886 3.604 -16.519 1.00 31.23 H new ATOM 0 HA ILE A 14 5.505 2.885 -17.819 1.00 21.45 H new ATOM 0 HB ILE A 14 7.071 4.390 -15.762 1.00 63.41 H new ATOM 0 HG12 ILE A 14 6.027 5.441 -17.767 1.00 40.21 H new ATOM 0 HG13 ILE A 14 7.758 5.689 -17.662 1.00 40.21 H new ATOM 0 HG21 ILE A 14 9.216 3.763 -16.793 1.00 71.10 H new ATOM 0 HG22 ILE A 14 8.426 2.369 -16.020 1.00 71.10 H new ATOM 0 HG23 ILE A 14 8.379 2.549 -17.790 1.00 71.10 H new ATOM 0 HD11 ILE A 14 7.085 5.168 -19.955 1.00 72.40 H new ATOM 0 HD12 ILE A 14 8.130 3.883 -19.304 1.00 72.40 H new ATOM 0 HD13 ILE A 14 6.372 3.632 -19.411 1.00 72.40 H new ATOM 196 N PRO A 15 6.527 0.652 -17.288 1.00 52.44 N ATOM 197 CA PRO A 15 6.942 -0.723 -16.999 1.00 71.33 C ATOM 198 C PRO A 15 8.355 -0.795 -16.428 1.00 44.54 C ATOM 199 O PRO A 15 9.008 0.229 -16.237 1.00 21.35 O ATOM 200 CB PRO A 15 6.882 -1.406 -18.368 1.00 32.33 C ATOM 201 CG PRO A 15 7.065 -0.301 -19.350 1.00 35.51 C ATOM 202 CD PRO A 15 6.425 0.912 -18.733 1.00 52.11 C ATOM 0 HA PRO A 15 6.308 -1.191 -16.246 1.00 71.33 H new ATOM 0 HB2 PRO A 15 7.663 -2.159 -18.469 1.00 32.33 H new ATOM 0 HB3 PRO A 15 5.929 -1.914 -18.516 1.00 32.33 H new ATOM 0 HG2 PRO A 15 8.123 -0.126 -19.548 1.00 35.51 H new ATOM 0 HG3 PRO A 15 6.598 -0.546 -20.304 1.00 35.51 H new ATOM 0 HD2 PRO A 15 6.945 1.828 -19.014 1.00 52.11 H new ATOM 0 HD3 PRO A 15 5.388 1.024 -19.049 1.00 52.11 H new ATOM 210 N GLU A 16 8.819 -2.012 -16.161 1.00 24.10 N ATOM 211 CA GLU A 16 10.154 -2.216 -15.612 1.00 63.23 C ATOM 212 C GLU A 16 11.204 -1.495 -16.453 1.00 23.52 C ATOM 213 O GLU A 16 10.983 -1.214 -17.631 1.00 3.13 O ATOM 214 CB GLU A 16 10.478 -3.709 -15.541 1.00 12.45 C ATOM 215 CG GLU A 16 11.732 -4.023 -14.743 1.00 54.23 C ATOM 216 CD GLU A 16 11.770 -3.303 -13.409 1.00 62.22 C ATOM 217 OE1 GLU A 16 10.697 -3.150 -12.787 1.00 73.31 O ATOM 218 OE2 GLU A 16 12.870 -2.892 -12.986 1.00 11.13 O1- ATOM 0 H GLU A 16 8.290 -2.871 -16.316 1.00 24.10 H new ATOM 0 HA GLU A 16 10.172 -1.800 -14.605 1.00 63.23 H new ATOM 0 HB2 GLU A 16 9.633 -4.235 -15.096 1.00 12.45 H new ATOM 0 HB3 GLU A 16 10.596 -4.095 -16.554 1.00 12.45 H new ATOM 0 HG2 GLU A 16 11.790 -5.098 -14.573 1.00 54.23 H new ATOM 0 HG3 GLU A 16 12.609 -3.744 -15.327 1.00 54.23 H new ATOM 225 N GLN A 17 12.345 -1.200 -15.839 1.00 15.32 N ATOM 226 CA GLN A 17 13.428 -0.512 -16.531 1.00 43.30 C ATOM 227 C GLN A 17 14.132 -1.447 -17.507 1.00 14.04 C ATOM 228 O GLN A 17 14.295 -2.637 -17.234 1.00 32.12 O ATOM 229 CB GLN A 17 14.435 0.044 -15.521 1.00 2.54 C ATOM 230 CG GLN A 17 13.786 0.708 -14.317 1.00 15.05 C ATOM 231 CD GLN A 17 14.771 1.516 -13.496 1.00 5.52 C ATOM 232 OE1 GLN A 17 15.902 1.756 -13.921 1.00 25.01 O ATOM 233 NE2 GLN A 17 14.345 1.944 -12.313 1.00 30.14 N ATOM 0 H GLN A 17 12.543 -1.426 -14.864 1.00 15.32 H new ATOM 0 HA GLN A 17 12.997 0.314 -17.096 1.00 43.30 H new ATOM 0 HB2 GLN A 17 15.077 -0.767 -15.176 1.00 2.54 H new ATOM 0 HB3 GLN A 17 15.078 0.768 -16.022 1.00 2.54 H new ATOM 0 HG2 GLN A 17 12.981 1.360 -14.656 1.00 15.05 H new ATOM 0 HG3 GLN A 17 13.333 -0.056 -13.685 1.00 15.05 H new ATOM 0 HE21 GLN A 17 13.400 1.722 -12.000 1.00 30.14 H new ATOM 0 HE22 GLN A 17 14.963 2.495 -11.717 1.00 30.14 H new ATOM 242 N ILE A 18 14.549 -0.902 -18.645 1.00 24.21 N ATOM 243 CA ILE A 18 15.236 -1.690 -19.661 1.00 45.03 C ATOM 244 C ILE A 18 16.540 -1.022 -20.085 1.00 53.13 C ATOM 245 O ILE A 18 16.865 0.074 -19.627 1.00 34.14 O ATOM 246 CB ILE A 18 14.353 -1.898 -20.905 1.00 12.34 C ATOM 247 CG1 ILE A 18 13.752 -0.567 -21.360 1.00 64.44 C ATOM 248 CG2 ILE A 18 13.253 -2.908 -20.610 1.00 30.13 C ATOM 249 CD1 ILE A 18 13.816 -0.355 -22.857 1.00 51.52 C ATOM 0 H ILE A 18 14.423 0.081 -18.886 1.00 24.21 H new ATOM 0 HA ILE A 18 15.454 -2.660 -19.214 1.00 45.03 H new ATOM 0 HB ILE A 18 14.973 -2.289 -21.711 1.00 12.34 H new ATOM 0 HG12 ILE A 18 12.712 -0.519 -21.039 1.00 64.44 H new ATOM 0 HG13 ILE A 18 14.277 0.248 -20.863 1.00 64.44 H new ATOM 0 HG21 ILE A 18 12.637 -3.045 -21.499 1.00 30.13 H new ATOM 0 HG22 ILE A 18 13.700 -3.861 -20.328 1.00 30.13 H new ATOM 0 HG23 ILE A 18 12.633 -2.542 -19.791 1.00 30.13 H new ATOM 0 HD11 ILE A 18 13.372 0.609 -23.107 1.00 51.52 H new ATOM 0 HD12 ILE A 18 14.856 -0.371 -23.183 1.00 51.52 H new ATOM 0 HD13 ILE A 18 13.266 -1.150 -23.361 1.00 51.52 H new ATOM 261 N ARG A 19 17.283 -1.689 -20.962 1.00 71.23 N ATOM 262 CA ARG A 19 18.552 -1.160 -21.447 1.00 75.34 C ATOM 263 C ARG A 19 18.463 -0.813 -22.931 1.00 62.41 C ATOM 264 O ARG A 19 17.916 -1.578 -23.725 1.00 51.13 O ATOM 265 CB ARG A 19 19.674 -2.175 -21.215 1.00 70.32 C ATOM 266 CG ARG A 19 21.043 -1.678 -21.649 1.00 12.13 C ATOM 267 CD ARG A 19 21.857 -1.182 -20.464 1.00 72.31 C ATOM 268 NE ARG A 19 22.660 -2.246 -19.870 1.00 22.42 N ATOM 269 CZ ARG A 19 23.707 -2.801 -20.472 1.00 11.21 C ATOM 270 NH1 ARG A 19 24.074 -2.395 -21.679 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 24.388 -3.764 -19.864 1.00 23.13 N ATOM 0 H ARG A 19 17.028 -2.597 -21.351 1.00 71.23 H new ATOM 0 HA ARG A 19 18.775 -0.249 -20.891 1.00 75.34 H new ATOM 0 HB2 ARG A 19 19.708 -2.430 -20.156 1.00 70.32 H new ATOM 0 HB3 ARG A 19 19.441 -3.092 -21.757 1.00 70.32 H new ATOM 0 HG2 ARG A 19 21.581 -2.482 -22.150 1.00 12.13 H new ATOM 0 HG3 ARG A 19 20.926 -0.873 -22.374 1.00 12.13 H new ATOM 0 HD2 ARG A 19 22.510 -0.371 -20.787 1.00 72.31 H new ATOM 0 HD3 ARG A 19 21.186 -0.770 -19.710 1.00 72.31 H new ATOM 0 HE ARG A 19 22.404 -2.582 -18.942 1.00 22.42 H new ATOM 0 HH11 ARG A 19 23.553 -1.655 -22.148 1.00 43.31 H new ATOM 0 HH12 ARG A 19 24.878 -2.823 -22.138 1.00 43.31 H new ATOM 0 HH21 ARG A 19 24.108 -4.078 -18.935 1.00 23.13 H new ATOM 0 HH22 ARG A 19 25.191 -4.190 -20.326 1.00 23.13 H new ATOM 285 N ILE A 20 19.006 0.344 -23.296 1.00 35.55 N ATOM 286 CA ILE A 20 18.989 0.791 -24.682 1.00 64.45 C ATOM 287 C ILE A 20 20.404 0.914 -25.237 1.00 32.03 C ATOM 288 O ILE A 20 21.368 1.055 -24.485 1.00 53.21 O ATOM 289 CB ILE A 20 18.273 2.147 -24.828 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.871 3.171 -23.862 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.780 1.986 -24.581 1.00 21.23 C ATOM 292 CD1 ILE A 20 19.063 4.540 -24.475 1.00 21.13 C ATOM 0 H ILE A 20 19.463 0.988 -22.650 1.00 35.55 H new ATOM 0 HA ILE A 20 18.442 0.038 -25.250 1.00 64.45 H new ATOM 0 HB ILE A 20 18.416 2.510 -25.846 1.00 75.13 H new ATOM 0 HG12 ILE A 20 18.221 3.260 -22.991 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.833 2.803 -23.506 1.00 15.54 H new ATOM 0 HG21 ILE A 20 16.287 2.952 -24.688 1.00 21.23 H new ATOM 0 HG22 ILE A 20 16.365 1.285 -25.305 1.00 21.23 H new ATOM 0 HG23 ILE A 20 16.617 1.605 -23.573 1.00 21.23 H new ATOM 0 HD11 ILE A 20 19.491 5.214 -23.733 1.00 21.13 H new ATOM 0 HD12 ILE A 20 19.737 4.465 -25.328 1.00 21.13 H new ATOM 0 HD13 ILE A 20 18.100 4.929 -24.806 1.00 21.13 H new ATOM 304 N PHE A 21 20.521 0.860 -26.561 1.00 73.53 N ATOM 305 CA PHE A 21 21.818 0.967 -27.217 1.00 64.54 C ATOM 306 C PHE A 21 21.855 2.167 -28.159 1.00 32.43 C ATOM 307 O PHE A 21 20.995 2.316 -29.028 1.00 22.23 O ATOM 308 CB PHE A 21 22.126 -0.315 -27.995 1.00 22.21 C ATOM 309 CG PHE A 21 22.674 -1.420 -27.137 1.00 75.22 C ATOM 310 CD1 PHE A 21 21.960 -1.884 -26.044 1.00 21.22 C ATOM 311 CD2 PHE A 21 23.901 -1.994 -27.425 1.00 14.32 C ATOM 312 CE1 PHE A 21 22.460 -2.901 -25.253 1.00 63.25 C ATOM 313 CE2 PHE A 21 24.406 -3.011 -26.637 1.00 44.12 C ATOM 314 CZ PHE A 21 23.685 -3.464 -25.549 1.00 20.14 C ATOM 0 H PHE A 21 19.734 0.743 -27.199 1.00 73.53 H new ATOM 0 HA PHE A 21 22.576 1.109 -26.447 1.00 64.54 H new ATOM 0 HB2 PHE A 21 21.215 -0.662 -28.483 1.00 22.21 H new ATOM 0 HB3 PHE A 21 22.843 -0.088 -28.784 1.00 22.21 H new ATOM 0 HD1 PHE A 21 21.002 -1.446 -25.807 1.00 21.22 H new ATOM 0 HD2 PHE A 21 24.469 -1.643 -28.274 1.00 14.32 H new ATOM 0 HE1 PHE A 21 21.893 -3.255 -24.405 1.00 63.25 H new ATOM 0 HE2 PHE A 21 25.364 -3.451 -26.872 1.00 44.12 H new ATOM 0 HZ PHE A 21 24.079 -4.257 -24.931 1.00 20.14 H new ATOM 324 N PHE A 22 22.856 3.023 -27.978 1.00 34.14 N ATOM 325 CA PHE A 22 23.005 4.212 -28.809 1.00 71.33 C ATOM 326 C PHE A 22 24.136 4.034 -29.817 1.00 24.13 C ATOM 327 O PHE A 22 25.313 4.132 -29.470 1.00 42.03 O ATOM 328 CB PHE A 22 23.272 5.440 -27.936 1.00 34.11 C ATOM 329 CG PHE A 22 22.027 6.192 -27.561 1.00 21.32 C ATOM 330 CD1 PHE A 22 21.702 6.399 -26.230 1.00 55.45 C ATOM 331 CD2 PHE A 22 21.182 6.690 -28.538 1.00 11.41 C ATOM 332 CE1 PHE A 22 20.558 7.090 -25.881 1.00 43.04 C ATOM 333 CE2 PHE A 22 20.037 7.383 -28.195 1.00 34.04 C ATOM 334 CZ PHE A 22 19.722 7.582 -26.865 1.00 31.31 C ATOM 0 H PHE A 22 23.576 2.915 -27.263 1.00 34.14 H new ATOM 0 HA PHE A 22 22.075 4.360 -29.357 1.00 71.33 H new ATOM 0 HB2 PHE A 22 23.784 5.125 -27.027 1.00 34.11 H new ATOM 0 HB3 PHE A 22 23.947 6.112 -28.465 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.351 6.016 -25.456 1.00 55.45 H new ATOM 0 HD2 PHE A 22 21.420 6.535 -29.580 1.00 11.41 H new ATOM 0 HE1 PHE A 22 20.317 7.246 -24.840 1.00 43.04 H new ATOM 0 HE2 PHE A 22 19.388 7.769 -28.967 1.00 34.04 H new ATOM 0 HZ PHE A 22 18.825 8.120 -26.595 1.00 31.31 H new ATOM 344 N LYS A 23 23.771 3.768 -31.067 1.00 30.42 N ATOM 345 CA LYS A 23 24.754 3.577 -32.127 1.00 1.30 C ATOM 346 C LYS A 23 25.127 4.908 -32.771 1.00 12.33 C ATOM 347 O LYS A 23 24.281 5.585 -33.356 1.00 50.24 O ATOM 348 CB LYS A 23 24.208 2.619 -33.188 1.00 51.30 C ATOM 349 CG LYS A 23 25.229 1.604 -33.674 1.00 73.32 C ATOM 350 CD LYS A 23 25.001 1.239 -35.132 1.00 53.34 C ATOM 351 CE LYS A 23 24.031 0.076 -35.270 1.00 11.44 C ATOM 352 NZ LYS A 23 24.615 -1.197 -34.763 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.801 3.680 -31.371 1.00 30.42 H new ATOM 0 HA LYS A 23 25.651 3.146 -31.683 1.00 1.30 H new ATOM 0 HB2 LYS A 23 23.348 2.089 -32.779 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.850 3.198 -34.039 1.00 51.30 H new ATOM 0 HG2 LYS A 23 26.233 2.010 -33.552 1.00 73.32 H new ATOM 0 HG3 LYS A 23 25.171 0.706 -33.060 1.00 73.32 H new ATOM 0 HD2 LYS A 23 24.612 2.104 -35.668 1.00 53.34 H new ATOM 0 HD3 LYS A 23 25.952 0.978 -35.596 1.00 53.34 H new ATOM 0 HE2 LYS A 23 23.116 0.299 -34.722 1.00 11.44 H new ATOM 0 HE3 LYS A 23 23.754 -0.043 -36.317 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 24.128 -2.003 -35.205 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 25.627 -1.232 -34.998 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 24.498 -1.246 -33.731 1.00 75.34 H new ATOM 366 N THR A 24 26.399 5.278 -32.661 1.00 1.24 N ATOM 367 CA THR A 24 26.884 6.528 -33.233 1.00 41.43 C ATOM 368 C THR A 24 27.702 6.274 -34.493 1.00 55.05 C ATOM 369 O THR A 24 27.958 5.127 -34.858 1.00 23.40 O ATOM 370 CB THR A 24 27.746 7.310 -32.224 1.00 24.11 C ATOM 371 OG1 THR A 24 29.037 6.703 -32.109 1.00 65.51 O ATOM 372 CG2 THR A 24 27.076 7.352 -30.858 1.00 50.11 C ATOM 0 H THR A 24 27.112 4.729 -32.181 1.00 1.24 H new ATOM 0 HA THR A 24 26.006 7.122 -33.486 1.00 41.43 H new ATOM 0 HB THR A 24 27.856 8.331 -32.589 1.00 24.11 H new ATOM 0 HG1 THR A 24 28.975 5.907 -31.540 1.00 65.51 H new ATOM 0 HG21 THR A 24 27.703 7.909 -30.162 1.00 50.11 H new ATOM 0 HG22 THR A 24 26.106 7.841 -30.944 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.939 6.336 -30.489 1.00 50.11 H new ATOM 380 N MET A 25 28.109 7.353 -35.156 1.00 73.10 N ATOM 381 CA MET A 25 28.901 7.246 -36.375 1.00 52.45 C ATOM 382 C MET A 25 30.346 6.880 -36.055 1.00 2.30 C ATOM 383 O MET A 25 31.140 6.599 -36.954 1.00 33.11 O ATOM 384 CB MET A 25 28.856 8.562 -37.155 1.00 30.23 C ATOM 385 CG MET A 25 27.470 8.920 -37.664 1.00 63.33 C ATOM 386 SD MET A 25 26.938 7.865 -39.026 1.00 45.42 S ATOM 387 CE MET A 25 26.141 6.534 -38.131 1.00 4.22 C ATOM 0 H MET A 25 27.903 8.310 -34.869 1.00 73.10 H new ATOM 0 HA MET A 25 28.472 6.454 -36.988 1.00 52.45 H new ATOM 0 HB2 MET A 25 29.218 9.367 -36.515 1.00 30.23 H new ATOM 0 HB3 MET A 25 29.539 8.496 -38.002 1.00 30.23 H new ATOM 0 HG2 MET A 25 26.754 8.839 -36.846 1.00 63.33 H new ATOM 0 HG3 MET A 25 27.464 9.960 -37.991 1.00 63.33 H new ATOM 0 HE1 MET A 25 26.642 5.593 -38.356 1.00 4.22 H new ATOM 0 HE2 MET A 25 26.200 6.729 -37.060 1.00 4.22 H new ATOM 0 HE3 MET A 25 25.095 6.469 -38.431 1.00 4.22 H new ATOM 397 N LYS A 26 30.683 6.884 -34.770 1.00 24.12 N ATOM 398 CA LYS A 26 32.033 6.551 -34.331 1.00 45.31 C ATOM 399 C LYS A 26 32.087 5.136 -33.764 1.00 52.32 C ATOM 400 O LYS A 26 33.056 4.409 -33.982 1.00 42.42 O ATOM 401 CB LYS A 26 32.509 7.552 -33.276 1.00 13.34 C ATOM 402 CG LYS A 26 33.224 8.758 -33.861 1.00 61.12 C ATOM 403 CD LYS A 26 34.627 8.404 -34.322 1.00 13.14 C ATOM 404 CE LYS A 26 35.448 9.651 -34.620 1.00 42.23 C ATOM 405 NZ LYS A 26 34.878 10.432 -35.752 1.00 4.53 N1+ ATOM 0 H LYS A 26 30.039 7.114 -34.013 1.00 24.12 H new ATOM 0 HA LYS A 26 32.693 6.602 -35.197 1.00 45.31 H new ATOM 0 HB2 LYS A 26 31.650 7.894 -32.698 1.00 13.34 H new ATOM 0 HB3 LYS A 26 33.179 7.045 -32.582 1.00 13.34 H new ATOM 0 HG2 LYS A 26 32.651 9.149 -34.702 1.00 61.12 H new ATOM 0 HG3 LYS A 26 33.274 9.550 -33.114 1.00 61.12 H new ATOM 0 HD2 LYS A 26 35.126 7.814 -33.553 1.00 13.14 H new ATOM 0 HD3 LYS A 26 34.571 7.782 -35.215 1.00 13.14 H new ATOM 0 HE2 LYS A 26 35.490 10.279 -33.730 1.00 42.23 H new ATOM 0 HE3 LYS A 26 36.472 9.364 -34.856 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 35.465 11.273 -35.924 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 34.861 9.841 -36.608 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 33.909 10.728 -35.516 1.00 4.53 H new ATOM 419 N GLN A 27 31.041 4.752 -33.040 1.00 23.51 N ATOM 420 CA GLN A 27 30.970 3.423 -32.445 1.00 54.41 C ATOM 421 C GLN A 27 29.689 3.257 -31.634 1.00 32.12 C ATOM 422 O GLN A 27 28.906 4.196 -31.494 1.00 31.42 O ATOM 423 CB GLN A 27 32.188 3.176 -31.552 1.00 35.15 C ATOM 424 CG GLN A 27 32.521 4.345 -30.639 1.00 31.13 C ATOM 425 CD GLN A 27 33.413 3.947 -29.481 1.00 41.01 C ATOM 426 OE1 GLN A 27 33.441 2.784 -29.075 1.00 14.54 O ATOM 427 NE2 GLN A 27 34.149 4.911 -28.941 1.00 44.23 N ATOM 0 H GLN A 27 30.231 5.342 -32.851 1.00 23.51 H new ATOM 0 HA GLN A 27 30.965 2.691 -33.252 1.00 54.41 H new ATOM 0 HB2 GLN A 27 32.008 2.290 -30.943 1.00 35.15 H new ATOM 0 HB3 GLN A 27 33.051 2.960 -32.181 1.00 35.15 H new ATOM 0 HG2 GLN A 27 33.013 5.125 -31.220 1.00 31.13 H new ATOM 0 HG3 GLN A 27 31.596 4.772 -30.250 1.00 31.13 H new ATOM 0 HE21 GLN A 27 34.095 5.861 -29.309 1.00 44.23 H new ATOM 0 HE22 GLN A 27 34.769 4.702 -28.158 1.00 44.23 H new ATOM 436 N VAL A 28 29.483 2.056 -31.103 1.00 3.05 N ATOM 437 CA VAL A 28 28.296 1.766 -30.306 1.00 24.14 C ATOM 438 C VAL A 28 28.444 2.304 -28.887 1.00 72.01 C ATOM 439 O VAL A 28 29.546 2.350 -28.340 1.00 14.41 O ATOM 440 CB VAL A 28 28.018 0.253 -30.244 1.00 50.21 C ATOM 441 CG1 VAL A 28 26.696 -0.018 -29.541 1.00 4.54 C ATOM 442 CG2 VAL A 28 28.020 -0.346 -31.642 1.00 44.43 C ATOM 0 H VAL A 28 30.122 1.268 -31.210 1.00 3.05 H new ATOM 0 HA VAL A 28 27.457 2.262 -30.794 1.00 24.14 H new ATOM 0 HB VAL A 28 28.813 -0.222 -29.669 1.00 50.21 H new ATOM 0 HG11 VAL A 28 26.516 -1.092 -29.506 1.00 4.54 H new ATOM 0 HG12 VAL A 28 26.736 0.376 -28.526 1.00 4.54 H new ATOM 0 HG13 VAL A 28 25.887 0.468 -30.087 1.00 4.54 H new ATOM 0 HG21 VAL A 28 27.822 -1.416 -31.580 1.00 44.43 H new ATOM 0 HG22 VAL A 28 27.247 0.132 -32.244 1.00 44.43 H new ATOM 0 HG23 VAL A 28 28.993 -0.184 -32.106 1.00 44.43 H new ATOM 452 N VAL A 29 27.325 2.708 -28.293 1.00 62.35 N ATOM 453 CA VAL A 29 27.328 3.242 -26.937 1.00 73.41 C ATOM 454 C VAL A 29 26.098 2.782 -26.163 1.00 41.43 C ATOM 455 O VAL A 29 25.065 3.452 -26.134 1.00 63.42 O ATOM 456 CB VAL A 29 27.375 4.781 -26.938 1.00 24.34 C ATOM 457 CG1 VAL A 29 27.386 5.317 -25.515 1.00 32.35 C ATOM 458 CG2 VAL A 29 28.587 5.276 -27.713 1.00 63.42 C ATOM 0 H VAL A 29 26.404 2.675 -28.731 1.00 62.35 H new ATOM 0 HA VAL A 29 28.225 2.860 -26.449 1.00 73.41 H new ATOM 0 HB VAL A 29 26.478 5.154 -27.433 1.00 24.34 H new ATOM 0 HG11 VAL A 29 27.419 6.406 -25.537 1.00 32.35 H new ATOM 0 HG12 VAL A 29 26.484 4.992 -24.997 1.00 32.35 H new ATOM 0 HG13 VAL A 29 28.263 4.938 -24.990 1.00 32.35 H new ATOM 0 HG21 VAL A 29 28.605 6.366 -27.704 1.00 63.42 H new ATOM 0 HG22 VAL A 29 29.496 4.894 -27.249 1.00 63.42 H new ATOM 0 HG23 VAL A 29 28.530 4.923 -28.743 1.00 63.42 H new ATOM 468 N PRO A 30 26.207 1.611 -25.518 1.00 73.00 N ATOM 469 CA PRO A 30 25.113 1.036 -24.730 1.00 3.14 C ATOM 470 C PRO A 30 24.841 1.824 -23.455 1.00 71.14 C ATOM 471 O PRO A 30 25.766 2.198 -22.734 1.00 11.03 O ATOM 472 CB PRO A 30 25.620 -0.370 -24.394 1.00 20.11 C ATOM 473 CG PRO A 30 27.105 -0.259 -24.444 1.00 44.03 C ATOM 474 CD PRO A 30 27.408 0.759 -25.508 1.00 41.22 C ATOM 0 HA PRO A 30 24.169 1.045 -25.275 1.00 3.14 H new ATOM 0 HB2 PRO A 30 25.280 -0.689 -23.409 1.00 20.11 H new ATOM 0 HB3 PRO A 30 25.254 -1.105 -25.111 1.00 20.11 H new ATOM 0 HG2 PRO A 30 27.506 0.053 -23.480 1.00 44.03 H new ATOM 0 HG3 PRO A 30 27.560 -1.220 -24.682 1.00 44.03 H new ATOM 0 HD2 PRO A 30 28.305 1.332 -25.272 1.00 41.22 H new ATOM 0 HD3 PRO A 30 27.575 0.289 -26.477 1.00 41.22 H new ATOM 482 N ALA A 31 23.564 2.073 -23.179 1.00 53.34 N ATOM 483 CA ALA A 31 23.170 2.815 -21.988 1.00 43.44 C ATOM 484 C ALA A 31 21.980 2.156 -21.300 1.00 41.51 C ATOM 485 O ALA A 31 21.249 1.377 -21.911 1.00 52.01 O ATOM 486 CB ALA A 31 22.843 4.257 -22.349 1.00 11.05 C ATOM 0 H ALA A 31 22.785 1.771 -23.765 1.00 53.34 H new ATOM 0 HA ALA A 31 24.008 2.808 -21.291 1.00 43.44 H new ATOM 0 HB1 ALA A 31 22.550 4.800 -21.450 1.00 11.05 H new ATOM 0 HB2 ALA A 31 23.721 4.730 -22.789 1.00 11.05 H new ATOM 0 HB3 ALA A 31 22.023 4.275 -23.067 1.00 11.05 H new ATOM 492 N LYS A 32 21.790 2.474 -20.023 1.00 42.21 N ATOM 493 CA LYS A 32 20.687 1.915 -19.252 1.00 42.03 C ATOM 494 C LYS A 32 19.530 2.904 -19.160 1.00 53.43 C ATOM 495 O LYS A 32 19.717 4.058 -18.776 1.00 15.15 O ATOM 496 CB LYS A 32 21.162 1.537 -17.846 1.00 10.13 C ATOM 497 CG LYS A 32 22.340 0.579 -17.839 1.00 15.14 C ATOM 498 CD LYS A 32 23.171 0.726 -16.577 1.00 43.25 C ATOM 499 CE LYS A 32 22.404 0.265 -15.346 1.00 41.14 C ATOM 500 NZ LYS A 32 22.408 -1.217 -15.213 1.00 23.12 N1+ ATOM 0 H LYS A 32 22.386 3.116 -19.501 1.00 42.21 H new ATOM 0 HA LYS A 32 20.335 1.019 -19.764 1.00 42.03 H new ATOM 0 HB2 LYS A 32 21.439 2.444 -17.309 1.00 10.13 H new ATOM 0 HB3 LYS A 32 20.333 1.085 -17.301 1.00 10.13 H new ATOM 0 HG2 LYS A 32 21.977 -0.446 -17.919 1.00 15.14 H new ATOM 0 HG3 LYS A 32 22.966 0.765 -18.712 1.00 15.14 H new ATOM 0 HD2 LYS A 32 24.088 0.145 -16.674 1.00 43.25 H new ATOM 0 HD3 LYS A 32 23.466 1.768 -16.454 1.00 43.25 H new ATOM 0 HE2 LYS A 32 22.846 0.711 -14.455 1.00 41.14 H new ATOM 0 HE3 LYS A 32 21.376 0.622 -15.404 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 21.875 -1.491 -14.363 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 21.963 -1.642 -16.052 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 23.388 -1.556 -15.132 1.00 23.12 H new ATOM 514 N ALA A 33 18.334 2.443 -19.513 1.00 74.42 N ATOM 515 CA ALA A 33 17.146 3.287 -19.466 1.00 62.44 C ATOM 516 C ALA A 33 16.389 3.097 -18.157 1.00 33.43 C ATOM 517 O ALA A 33 16.133 1.969 -17.734 1.00 52.11 O ATOM 518 CB ALA A 33 16.239 2.987 -20.652 1.00 44.12 C ATOM 0 H ALA A 33 18.162 1.490 -19.834 1.00 74.42 H new ATOM 0 HA ALA A 33 17.467 4.327 -19.521 1.00 62.44 H new ATOM 0 HB1 ALA A 33 15.356 3.624 -20.605 1.00 44.12 H new ATOM 0 HB2 ALA A 33 16.777 3.181 -21.580 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.934 1.941 -20.621 1.00 44.12 H new ATOM 524 N VAL A 34 16.033 4.207 -17.518 1.00 63.33 N ATOM 525 CA VAL A 34 15.305 4.163 -16.256 1.00 45.44 C ATOM 526 C VAL A 34 13.837 4.524 -16.456 1.00 54.42 C ATOM 527 O VAL A 34 13.500 5.345 -17.310 1.00 75.20 O ATOM 528 CB VAL A 34 15.920 5.119 -15.218 1.00 12.22 C ATOM 529 CG1 VAL A 34 15.736 6.567 -15.651 1.00 2.34 C ATOM 530 CG2 VAL A 34 15.308 4.883 -13.846 1.00 72.31 C ATOM 0 H VAL A 34 16.237 5.148 -17.854 1.00 63.33 H new ATOM 0 HA VAL A 34 15.378 3.141 -15.885 1.00 45.44 H new ATOM 0 HB VAL A 34 16.989 4.916 -15.153 1.00 12.22 H new ATOM 0 HG11 VAL A 34 16.177 7.229 -14.905 1.00 2.34 H new ATOM 0 HG12 VAL A 34 16.227 6.725 -16.611 1.00 2.34 H new ATOM 0 HG13 VAL A 34 14.672 6.786 -15.747 1.00 2.34 H new ATOM 0 HG21 VAL A 34 15.755 5.568 -13.125 1.00 72.31 H new ATOM 0 HG22 VAL A 34 14.233 5.056 -13.892 1.00 72.31 H new ATOM 0 HG23 VAL A 34 15.497 3.855 -13.535 1.00 72.31 H new ATOM 540 N CYS A 35 12.968 3.906 -15.664 1.00 52.54 N ATOM 541 CA CYS A 35 11.535 4.162 -15.753 1.00 31.55 C ATOM 542 C CYS A 35 11.233 5.642 -15.544 1.00 12.13 C ATOM 543 O CYS A 35 11.539 6.206 -14.496 1.00 51.25 O ATOM 544 CB CYS A 35 10.781 3.324 -14.720 1.00 11.41 C ATOM 545 SG CYS A 35 11.412 3.488 -13.033 1.00 13.12 S ATOM 0 H CYS A 35 13.231 3.224 -14.953 1.00 52.54 H new ATOM 0 HA CYS A 35 11.202 3.880 -16.752 1.00 31.55 H new ATOM 0 HB2 CYS A 35 9.730 3.611 -14.733 1.00 11.41 H new ATOM 0 HB3 CYS A 35 10.829 2.275 -15.014 1.00 11.41 H new ATOM 0 HG CYS A 35 11.777 4.718 -12.824 1.00 13.12 H new ATOM 551 N GLY A 36 10.630 6.266 -16.552 1.00 33.13 N ATOM 552 CA GLY A 36 10.298 7.676 -16.460 1.00 22.01 C ATOM 553 C GLY A 36 11.208 8.542 -17.308 1.00 2.31 C ATOM 554 O GLY A 36 10.983 9.745 -17.443 1.00 12.12 O ATOM 0 H GLY A 36 10.366 5.820 -17.430 1.00 33.13 H new ATOM 0 HA2 GLY A 36 9.265 7.824 -16.774 1.00 22.01 H new ATOM 0 HA3 GLY A 36 10.364 7.995 -15.420 1.00 22.01 H new ATOM 558 N SER A 37 12.240 7.931 -17.881 1.00 14.13 N ATOM 559 CA SER A 37 13.191 8.655 -18.715 1.00 31.10 C ATOM 560 C SER A 37 12.889 8.440 -20.196 1.00 73.20 C ATOM 561 O SER A 37 12.197 7.491 -20.569 1.00 73.03 O ATOM 562 CB SER A 37 14.620 8.207 -18.405 1.00 61.42 C ATOM 563 OG SER A 37 15.370 8.031 -19.595 1.00 54.42 O ATOM 0 H SER A 37 12.439 6.935 -17.783 1.00 14.13 H new ATOM 0 HA SER A 37 13.095 9.718 -18.492 1.00 31.10 H new ATOM 0 HB2 SER A 37 15.107 8.948 -17.771 1.00 61.42 H new ATOM 0 HB3 SER A 37 14.598 7.273 -17.844 1.00 61.42 H new ATOM 0 HG SER A 37 16.143 8.633 -19.587 1.00 54.42 H new ATOM 569 N THR A 38 13.412 9.327 -21.036 1.00 25.44 N ATOM 570 CA THR A 38 13.198 9.236 -22.475 1.00 13.34 C ATOM 571 C THR A 38 14.505 8.954 -23.208 1.00 44.22 C ATOM 572 O THR A 38 15.589 9.203 -22.682 1.00 73.14 O ATOM 573 CB THR A 38 12.578 10.531 -23.034 1.00 44.44 C ATOM 574 OG1 THR A 38 13.552 11.581 -23.031 1.00 11.42 O ATOM 575 CG2 THR A 38 11.369 10.951 -22.211 1.00 11.40 C ATOM 0 H THR A 38 13.987 10.117 -20.745 1.00 25.44 H new ATOM 0 HA THR A 38 12.506 8.410 -22.640 1.00 13.34 H new ATOM 0 HB THR A 38 12.253 10.341 -24.057 1.00 44.44 H new ATOM 0 HG1 THR A 38 13.151 12.400 -23.389 1.00 11.42 H new ATOM 0 HG21 THR A 38 10.948 11.868 -22.624 1.00 11.40 H new ATOM 0 HG22 THR A 38 10.618 10.162 -22.239 1.00 11.40 H new ATOM 0 HG23 THR A 38 11.674 11.125 -21.179 1.00 11.40 H new ATOM 583 N VAL A 39 14.393 8.435 -24.426 1.00 70.42 N ATOM 584 CA VAL A 39 15.567 8.120 -25.233 1.00 33.14 C ATOM 585 C VAL A 39 16.501 9.320 -25.335 1.00 42.12 C ATOM 586 O VAL A 39 17.669 9.246 -24.951 1.00 10.21 O ATOM 587 CB VAL A 39 15.169 7.671 -26.651 1.00 65.42 C ATOM 588 CG1 VAL A 39 16.397 7.251 -27.444 1.00 4.01 C ATOM 589 CG2 VAL A 39 14.153 6.540 -26.587 1.00 35.23 C ATOM 0 H VAL A 39 13.502 8.224 -24.876 1.00 70.42 H new ATOM 0 HA VAL A 39 16.085 7.302 -24.733 1.00 33.14 H new ATOM 0 HB VAL A 39 14.707 8.515 -27.163 1.00 65.42 H new ATOM 0 HG11 VAL A 39 16.095 6.937 -28.443 1.00 4.01 H new ATOM 0 HG12 VAL A 39 17.086 8.092 -27.521 1.00 4.01 H new ATOM 0 HG13 VAL A 39 16.891 6.422 -26.937 1.00 4.01 H new ATOM 0 HG21 VAL A 39 13.883 6.236 -27.598 1.00 35.23 H new ATOM 0 HG22 VAL A 39 14.585 5.692 -26.056 1.00 35.23 H new ATOM 0 HG23 VAL A 39 13.261 6.881 -26.061 1.00 35.23 H new ATOM 599 N LEU A 40 15.979 10.427 -25.854 1.00 4.40 N ATOM 600 CA LEU A 40 16.767 11.645 -26.006 1.00 4.13 C ATOM 601 C LEU A 40 17.391 12.060 -24.679 1.00 3.52 C ATOM 602 O LEU A 40 18.512 12.567 -24.639 1.00 65.40 O ATOM 603 CB LEU A 40 15.891 12.777 -26.548 1.00 11.34 C ATOM 604 CG LEU A 40 15.630 12.761 -28.054 1.00 34.30 C ATOM 605 CD1 LEU A 40 14.481 11.824 -28.387 1.00 31.55 C ATOM 606 CD2 LEU A 40 15.337 14.168 -28.559 1.00 22.30 C ATOM 0 H LEU A 40 15.014 10.506 -26.176 1.00 4.40 H new ATOM 0 HA LEU A 40 17.570 11.443 -26.715 1.00 4.13 H new ATOM 0 HB2 LEU A 40 14.931 12.745 -26.033 1.00 11.34 H new ATOM 0 HB3 LEU A 40 16.359 13.727 -26.291 1.00 11.34 H new ATOM 0 HG LEU A 40 16.526 12.395 -28.555 1.00 34.30 H new ATOM 0 HD11 LEU A 40 14.310 11.826 -29.464 1.00 31.55 H new ATOM 0 HD12 LEU A 40 14.729 10.814 -28.061 1.00 31.55 H new ATOM 0 HD13 LEU A 40 13.578 12.159 -27.876 1.00 31.55 H new ATOM 0 HD21 LEU A 40 15.154 14.138 -29.633 1.00 22.30 H new ATOM 0 HD22 LEU A 40 14.456 14.561 -28.051 1.00 22.30 H new ATOM 0 HD23 LEU A 40 16.191 14.813 -28.355 1.00 22.30 H new ATOM 618 N ASP A 41 16.658 11.839 -23.592 1.00 72.45 N ATOM 619 CA ASP A 41 17.141 12.187 -22.261 1.00 42.14 C ATOM 620 C ASP A 41 18.238 11.226 -21.812 1.00 25.23 C ATOM 621 O ASP A 41 19.093 11.579 -21.000 1.00 10.41 O ATOM 622 CB ASP A 41 15.988 12.168 -21.256 1.00 13.44 C ATOM 623 CG ASP A 41 15.246 13.490 -21.202 1.00 24.42 C ATOM 624 OD1 ASP A 41 14.527 13.726 -20.208 1.00 41.20 O ATOM 625 OD2 ASP A 41 15.386 14.288 -22.152 1.00 64.23 O1- ATOM 0 H ASP A 41 15.728 11.421 -23.607 1.00 72.45 H new ATOM 0 HA ASP A 41 17.559 13.193 -22.305 1.00 42.14 H new ATOM 0 HB2 ASP A 41 15.291 11.374 -21.522 1.00 13.44 H new ATOM 0 HB3 ASP A 41 16.377 11.932 -20.265 1.00 13.44 H new ATOM 630 N VAL A 42 18.207 10.009 -22.346 1.00 2.11 N ATOM 631 CA VAL A 42 19.199 8.998 -22.001 1.00 13.25 C ATOM 632 C VAL A 42 20.526 9.267 -22.702 1.00 11.24 C ATOM 633 O VAL A 42 21.591 9.172 -22.093 1.00 54.34 O ATOM 634 CB VAL A 42 18.711 7.585 -22.373 1.00 43.20 C ATOM 635 CG1 VAL A 42 19.795 6.555 -22.091 1.00 3.53 C ATOM 636 CG2 VAL A 42 17.433 7.247 -21.622 1.00 61.21 C ATOM 0 H VAL A 42 17.506 9.700 -23.019 1.00 2.11 H new ATOM 0 HA VAL A 42 19.345 9.052 -20.922 1.00 13.25 H new ATOM 0 HB VAL A 42 18.492 7.564 -23.441 1.00 43.20 H new ATOM 0 HG11 VAL A 42 19.433 5.563 -22.360 1.00 3.53 H new ATOM 0 HG12 VAL A 42 20.682 6.789 -22.680 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.048 6.574 -21.031 1.00 3.53 H new ATOM 0 HG21 VAL A 42 17.103 6.245 -21.897 1.00 61.21 H new ATOM 0 HG22 VAL A 42 17.621 7.285 -20.549 1.00 61.21 H new ATOM 0 HG23 VAL A 42 16.658 7.968 -21.880 1.00 61.21 H new ATOM 646 N ALA A 43 20.453 9.605 -23.985 1.00 21.42 N ATOM 647 CA ALA A 43 21.648 9.890 -24.769 1.00 20.42 C ATOM 648 C ALA A 43 22.489 10.978 -24.110 1.00 42.52 C ATOM 649 O ALA A 43 23.711 11.008 -24.259 1.00 14.32 O ATOM 650 CB ALA A 43 21.266 10.300 -26.183 1.00 62.22 C ATOM 0 H ALA A 43 19.579 9.688 -24.504 1.00 21.42 H new ATOM 0 HA ALA A 43 22.248 8.981 -24.816 1.00 20.42 H new ATOM 0 HB1 ALA A 43 22.168 10.510 -26.757 1.00 62.22 H new ATOM 0 HB2 ALA A 43 20.713 9.491 -26.660 1.00 62.22 H new ATOM 0 HB3 ALA A 43 20.643 11.194 -26.147 1.00 62.22 H new ATOM 656 N HIS A 44 21.828 11.872 -23.380 1.00 12.51 N ATOM 657 CA HIS A 44 22.515 12.962 -22.698 1.00 50.24 C ATOM 658 C HIS A 44 23.282 12.446 -21.484 1.00 54.31 C ATOM 659 O HIS A 44 24.275 13.040 -21.066 1.00 12.45 O ATOM 660 CB HIS A 44 21.513 14.033 -22.265 1.00 75.20 C ATOM 661 CG HIS A 44 22.135 15.376 -22.032 1.00 61.53 C ATOM 662 ND1 HIS A 44 22.515 15.823 -20.785 1.00 44.12 N ATOM 663 CD2 HIS A 44 22.445 16.369 -22.897 1.00 13.23 C ATOM 664 CE1 HIS A 44 23.030 17.034 -20.890 1.00 32.52 C ATOM 665 NE2 HIS A 44 22.999 17.389 -22.163 1.00 53.52 N ATOM 0 H HIS A 44 20.817 11.862 -23.246 1.00 12.51 H new ATOM 0 HA HIS A 44 23.227 13.402 -23.396 1.00 50.24 H new ATOM 0 HB2 HIS A 44 20.741 14.127 -23.029 1.00 75.20 H new ATOM 0 HB3 HIS A 44 21.018 13.707 -21.350 1.00 75.20 H new ATOM 0 HD2 HIS A 44 22.286 16.361 -23.965 1.00 13.23 H new ATOM 0 HE1 HIS A 44 23.411 17.632 -20.076 1.00 32.52 H new ATOM 0 HE2 HIS A 44 23.332 18.277 -22.539 1.00 53.52 H new ATOM 673 N LYS A 45 22.813 11.337 -20.922 1.00 13.22 N ATOM 674 CA LYS A 45 23.453 10.739 -19.757 1.00 44.10 C ATOM 675 C LYS A 45 24.806 10.140 -20.127 1.00 71.53 C ATOM 676 O LYS A 45 25.820 10.434 -19.495 1.00 73.03 O ATOM 677 CB LYS A 45 22.554 9.660 -19.152 1.00 74.53 C ATOM 678 CG LYS A 45 21.095 10.070 -19.049 1.00 40.45 C ATOM 679 CD LYS A 45 20.934 11.365 -18.268 1.00 63.15 C ATOM 680 CE LYS A 45 19.984 11.190 -17.093 1.00 32.12 C ATOM 681 NZ LYS A 45 19.027 12.326 -16.981 1.00 61.40 N1+ ATOM 0 H LYS A 45 21.991 10.834 -21.255 1.00 13.22 H new ATOM 0 HA LYS A 45 23.613 11.525 -19.019 1.00 44.10 H new ATOM 0 HB2 LYS A 45 22.627 8.757 -19.758 1.00 74.53 H new ATOM 0 HB3 LYS A 45 22.923 9.407 -18.158 1.00 74.53 H new ATOM 0 HG2 LYS A 45 20.679 10.193 -20.049 1.00 40.45 H new ATOM 0 HG3 LYS A 45 20.527 9.277 -18.562 1.00 40.45 H new ATOM 0 HD2 LYS A 45 21.907 11.696 -17.905 1.00 63.15 H new ATOM 0 HD3 LYS A 45 20.558 12.146 -18.929 1.00 63.15 H new ATOM 0 HE2 LYS A 45 19.430 10.258 -17.209 1.00 32.12 H new ATOM 0 HE3 LYS A 45 20.559 11.106 -16.170 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 18.397 12.170 -16.169 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 19.554 13.212 -16.845 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 18.461 12.390 -17.851 1.00 61.40 H new ATOM 695 N ASN A 46 24.815 9.299 -21.156 1.00 44.51 N ATOM 696 CA ASN A 46 26.043 8.659 -21.611 1.00 43.23 C ATOM 697 C ASN A 46 26.944 9.660 -22.328 1.00 15.11 C ATOM 698 O ASN A 46 28.161 9.487 -22.382 1.00 20.00 O ATOM 699 CB ASN A 46 25.719 7.490 -22.543 1.00 55.02 C ATOM 700 CG ASN A 46 26.792 6.418 -22.520 1.00 74.42 C ATOM 701 OD1 ASN A 46 27.950 6.675 -22.848 1.00 22.42 O ATOM 702 ND2 ASN A 46 26.409 5.207 -22.130 1.00 50.43 N ATOM 0 H ASN A 46 23.984 9.045 -21.691 1.00 44.51 H new ATOM 0 HA ASN A 46 26.572 8.281 -20.736 1.00 43.23 H new ATOM 0 HB2 ASN A 46 24.764 7.051 -22.253 1.00 55.02 H new ATOM 0 HB3 ASN A 46 25.602 7.862 -23.561 1.00 55.02 H new ATOM 0 HD21 ASN A 46 27.086 4.445 -22.094 1.00 50.43 H new ATOM 0 HD22 ASN A 46 25.438 5.039 -21.867 1.00 50.43 H new ATOM 709 N GLY A 47 26.337 10.708 -22.876 1.00 71.54 N ATOM 710 CA GLY A 47 27.101 11.721 -23.582 1.00 65.12 C ATOM 711 C GLY A 47 26.873 11.680 -25.080 1.00 62.25 C ATOM 712 O GLY A 47 27.263 12.599 -25.800 1.00 22.30 O ATOM 0 H GLY A 47 25.331 10.874 -22.844 1.00 71.54 H new ATOM 0 HA2 GLY A 47 26.829 12.706 -23.203 1.00 65.12 H new ATOM 0 HA3 GLY A 47 28.162 11.581 -23.375 1.00 65.12 H new ATOM 716 N VAL A 48 26.241 10.611 -25.552 1.00 31.22 N ATOM 717 CA VAL A 48 25.962 10.452 -26.974 1.00 41.02 C ATOM 718 C VAL A 48 25.246 11.677 -27.533 1.00 3.44 C ATOM 719 O VAL A 48 24.120 11.982 -27.143 1.00 22.32 O ATOM 720 CB VAL A 48 25.103 9.202 -27.242 1.00 34.34 C ATOM 721 CG1 VAL A 48 24.806 9.067 -28.728 1.00 23.24 C ATOM 722 CG2 VAL A 48 25.797 7.956 -26.714 1.00 32.44 C ATOM 0 H VAL A 48 25.912 9.841 -24.970 1.00 31.22 H new ATOM 0 HA VAL A 48 26.923 10.336 -27.474 1.00 41.02 H new ATOM 0 HB VAL A 48 24.155 9.314 -26.715 1.00 34.34 H new ATOM 0 HG11 VAL A 48 24.198 8.178 -28.898 1.00 23.24 H new ATOM 0 HG12 VAL A 48 24.265 9.948 -29.072 1.00 23.24 H new ATOM 0 HG13 VAL A 48 25.742 8.978 -29.279 1.00 23.24 H new ATOM 0 HG21 VAL A 48 25.176 7.082 -26.912 1.00 32.44 H new ATOM 0 HG22 VAL A 48 26.760 7.837 -27.211 1.00 32.44 H new ATOM 0 HG23 VAL A 48 25.953 8.054 -25.640 1.00 32.44 H new ATOM 732 N ASP A 49 25.909 12.375 -28.450 1.00 40.14 N ATOM 733 CA ASP A 49 25.336 13.566 -29.065 1.00 14.22 C ATOM 734 C ASP A 49 24.211 13.194 -30.026 1.00 34.02 C ATOM 735 O ASP A 49 24.413 13.130 -31.240 1.00 75.21 O ATOM 736 CB ASP A 49 26.417 14.354 -29.805 1.00 52.55 C ATOM 737 CG ASP A 49 25.937 15.723 -30.245 1.00 23.12 C ATOM 738 OD1 ASP A 49 26.778 16.533 -30.690 1.00 1.55 O ATOM 739 OD2 ASP A 49 24.720 15.985 -30.145 1.00 61.21 O1- ATOM 0 H ASP A 49 26.843 12.136 -28.783 1.00 40.14 H new ATOM 0 HA ASP A 49 24.921 14.190 -28.273 1.00 14.22 H new ATOM 0 HB2 ASP A 49 27.287 14.468 -29.158 1.00 52.55 H new ATOM 0 HB3 ASP A 49 26.741 13.788 -30.678 1.00 52.55 H new ATOM 744 N LEU A 50 23.027 12.949 -29.477 1.00 12.10 N ATOM 745 CA LEU A 50 21.870 12.582 -30.286 1.00 14.20 C ATOM 746 C LEU A 50 21.294 13.802 -30.998 1.00 31.24 C ATOM 747 O LEU A 50 20.872 14.765 -30.357 1.00 24.23 O ATOM 748 CB LEU A 50 20.796 11.934 -29.411 1.00 11.15 C ATOM 749 CG LEU A 50 19.913 10.890 -30.094 1.00 12.15 C ATOM 750 CD1 LEU A 50 18.859 10.367 -29.129 1.00 70.43 C ATOM 751 CD2 LEU A 50 19.256 11.477 -31.336 1.00 5.33 C ATOM 0 H LEU A 50 22.843 12.998 -28.475 1.00 12.10 H new ATOM 0 HA LEU A 50 22.197 11.866 -31.039 1.00 14.20 H new ATOM 0 HB2 LEU A 50 21.286 11.464 -28.558 1.00 11.15 H new ATOM 0 HB3 LEU A 50 20.154 12.721 -29.016 1.00 11.15 H new ATOM 0 HG LEU A 50 20.543 10.055 -30.400 1.00 12.15 H new ATOM 0 HD11 LEU A 50 18.240 9.625 -29.633 1.00 70.43 H new ATOM 0 HD12 LEU A 50 19.348 9.908 -28.270 1.00 70.43 H new ATOM 0 HD13 LEU A 50 18.233 11.193 -28.792 1.00 70.43 H new ATOM 0 HD21 LEU A 50 18.631 10.720 -31.809 1.00 5.33 H new ATOM 0 HD22 LEU A 50 18.640 12.331 -31.053 1.00 5.33 H new ATOM 0 HD23 LEU A 50 20.026 11.802 -32.036 1.00 5.33 H new ATOM 905 N CYS A 63 14.790 16.327 -37.581 1.00 12.42 N ATOM 906 CA CYS A 63 14.099 15.292 -36.821 1.00 3.52 C ATOM 907 C CYS A 63 14.051 13.983 -37.602 1.00 2.45 C ATOM 908 O CYS A 63 12.990 13.559 -38.061 1.00 4.13 O ATOM 909 CB CYS A 63 12.677 15.746 -36.478 1.00 25.53 C ATOM 910 SG CYS A 63 12.573 16.815 -35.007 1.00 22.10 S ATOM 0 HA CYS A 63 14.653 15.123 -35.898 1.00 3.52 H new ATOM 0 HB2 CYS A 63 12.262 16.280 -37.332 1.00 25.53 H new ATOM 0 HB3 CYS A 63 12.054 14.866 -36.319 1.00 25.53 H new ATOM 0 HG CYS A 63 11.737 16.300 -34.155 1.00 22.10 H new ATOM 915 N HIS A 64 15.209 13.346 -37.749 1.00 63.44 N ATOM 916 CA HIS A 64 15.300 12.084 -38.475 1.00 3.42 C ATOM 917 C HIS A 64 16.462 11.242 -37.955 1.00 30.22 C ATOM 918 O HIS A 64 17.627 11.575 -38.169 1.00 61.33 O ATOM 919 CB HIS A 64 15.472 12.343 -39.971 1.00 52.43 C ATOM 920 CG HIS A 64 16.608 13.263 -40.294 1.00 13.30 C ATOM 921 ND1 HIS A 64 16.513 14.635 -40.207 1.00 62.35 N ATOM 922 CD2 HIS A 64 17.871 12.999 -40.704 1.00 65.44 C ATOM 923 CE1 HIS A 64 17.668 15.177 -40.550 1.00 13.15 C ATOM 924 NE2 HIS A 64 18.509 14.206 -40.856 1.00 23.12 N ATOM 0 H HIS A 64 16.096 13.683 -37.375 1.00 63.44 H new ATOM 0 HA HIS A 64 14.374 11.533 -38.314 1.00 3.42 H new ATOM 0 HB2 HIS A 64 15.630 11.392 -40.480 1.00 52.43 H new ATOM 0 HB3 HIS A 64 14.549 12.767 -40.366 1.00 52.43 H new ATOM 0 HD1 HIS A 64 15.681 15.151 -39.922 1.00 62.35 H new ATOM 0 HD2 HIS A 64 18.297 12.022 -40.879 1.00 65.44 H new ATOM 0 HE1 HIS A 64 17.887 16.234 -40.576 1.00 13.15 H new ATOM 932 N VAL A 65 16.136 10.149 -37.272 1.00 61.11 N ATOM 933 CA VAL A 65 17.151 9.259 -36.723 1.00 32.34 C ATOM 934 C VAL A 65 16.892 7.813 -37.129 1.00 22.50 C ATOM 935 O VAL A 65 15.764 7.441 -37.451 1.00 34.33 O ATOM 936 CB VAL A 65 17.204 9.348 -35.186 1.00 11.13 C ATOM 937 CG1 VAL A 65 18.461 8.675 -34.655 1.00 72.25 C ATOM 938 CG2 VAL A 65 17.134 10.799 -34.734 1.00 23.01 C ATOM 0 H VAL A 65 15.176 9.859 -37.086 1.00 61.11 H new ATOM 0 HA VAL A 65 18.109 9.582 -37.131 1.00 32.34 H new ATOM 0 HB VAL A 65 16.340 8.823 -34.779 1.00 11.13 H new ATOM 0 HG11 VAL A 65 18.481 8.748 -33.568 1.00 72.25 H new ATOM 0 HG12 VAL A 65 18.463 7.625 -34.948 1.00 72.25 H new ATOM 0 HG13 VAL A 65 19.340 9.169 -35.068 1.00 72.25 H new ATOM 0 HG21 VAL A 65 17.173 10.843 -33.646 1.00 23.01 H new ATOM 0 HG22 VAL A 65 17.977 11.351 -35.150 1.00 23.01 H new ATOM 0 HG23 VAL A 65 16.202 11.244 -35.082 1.00 23.01 H new ATOM 948 N ILE A 66 17.945 7.002 -37.110 1.00 21.12 N ATOM 949 CA ILE A 66 17.830 5.594 -37.475 1.00 32.41 C ATOM 950 C ILE A 66 17.512 4.735 -36.257 1.00 54.10 C ATOM 951 O ILE A 66 18.161 4.849 -35.215 1.00 14.31 O ATOM 952 CB ILE A 66 19.124 5.076 -38.130 1.00 13.50 C ATOM 953 CG1 ILE A 66 19.451 5.895 -39.381 1.00 41.34 C ATOM 954 CG2 ILE A 66 18.989 3.601 -38.475 1.00 64.43 C ATOM 955 CD1 ILE A 66 20.898 6.331 -39.457 1.00 62.21 C ATOM 0 H ILE A 66 18.886 7.295 -36.846 1.00 21.12 H new ATOM 0 HA ILE A 66 17.013 5.519 -38.193 1.00 32.41 H new ATOM 0 HB ILE A 66 19.944 5.189 -37.421 1.00 13.50 H new ATOM 0 HG12 ILE A 66 19.211 5.304 -40.265 1.00 41.34 H new ATOM 0 HG13 ILE A 66 18.812 6.778 -39.405 1.00 41.34 H new ATOM 0 HG21 ILE A 66 19.911 3.250 -38.937 1.00 64.43 H new ATOM 0 HG22 ILE A 66 18.798 3.031 -37.566 1.00 64.43 H new ATOM 0 HG23 ILE A 66 18.160 3.464 -39.170 1.00 64.43 H new ATOM 0 HD11 ILE A 66 21.057 6.907 -40.369 1.00 62.21 H new ATOM 0 HD12 ILE A 66 21.138 6.949 -38.592 1.00 62.21 H new ATOM 0 HD13 ILE A 66 21.543 5.452 -39.465 1.00 62.21 H new ATOM 967 N LEU A 67 16.510 3.874 -36.393 1.00 62.31 N ATOM 968 CA LEU A 67 16.105 2.992 -35.304 1.00 64.04 C ATOM 969 C LEU A 67 16.012 1.546 -35.780 1.00 12.11 C ATOM 970 O LEU A 67 15.938 1.281 -36.979 1.00 61.41 O ATOM 971 CB LEU A 67 14.759 3.440 -34.732 1.00 53.02 C ATOM 972 CG LEU A 67 14.304 2.735 -33.454 1.00 54.25 C ATOM 973 CD1 LEU A 67 15.349 2.883 -32.360 1.00 12.14 C ATOM 974 CD2 LEU A 67 12.962 3.283 -32.991 1.00 10.33 C ATOM 0 H LEU A 67 15.963 3.768 -37.247 1.00 62.31 H new ATOM 0 HA LEU A 67 16.862 3.050 -34.522 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.809 4.511 -34.534 1.00 53.02 H new ATOM 0 HB3 LEU A 67 13.995 3.293 -35.496 1.00 53.02 H new ATOM 0 HG LEU A 67 14.185 1.674 -33.671 1.00 54.25 H new ATOM 0 HD11 LEU A 67 15.007 2.375 -31.459 1.00 12.14 H new ATOM 0 HD12 LEU A 67 16.288 2.440 -32.692 1.00 12.14 H new ATOM 0 HD13 LEU A 67 15.502 3.940 -32.144 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.654 2.769 -32.080 1.00 10.33 H new ATOM 0 HD22 LEU A 67 13.054 4.351 -32.792 1.00 10.33 H new ATOM 0 HD23 LEU A 67 12.215 3.122 -33.769 1.00 10.33 H new ATOM 986 N GLU A 68 16.013 0.614 -34.831 1.00 71.02 N ATOM 987 CA GLU A 68 15.927 -0.805 -35.156 1.00 2.24 C ATOM 988 C GLU A 68 14.948 -1.043 -36.301 1.00 45.14 C ATOM 989 O GLU A 68 13.887 -0.424 -36.363 1.00 70.41 O ATOM 990 CB GLU A 68 15.494 -1.606 -33.925 1.00 2.12 C ATOM 991 CG GLU A 68 16.572 -2.534 -33.393 1.00 61.11 C ATOM 992 CD GLU A 68 17.178 -3.407 -34.474 1.00 60.41 C ATOM 993 OE1 GLU A 68 16.638 -4.507 -34.719 1.00 23.25 O ATOM 994 OE2 GLU A 68 18.190 -2.992 -35.076 1.00 54.52 O1- ATOM 0 H GLU A 68 16.072 0.816 -33.833 1.00 71.02 H new ATOM 0 HA GLU A 68 16.915 -1.140 -35.471 1.00 2.24 H new ATOM 0 HB2 GLU A 68 15.201 -0.913 -33.136 1.00 2.12 H new ATOM 0 HB3 GLU A 68 14.612 -2.194 -34.177 1.00 2.12 H new ATOM 0 HG2 GLU A 68 17.359 -1.941 -32.927 1.00 61.11 H new ATOM 0 HG3 GLU A 68 16.148 -3.168 -32.615 1.00 61.11 H new ATOM 1001 N GLU A 69 15.315 -1.945 -37.207 1.00 22.44 N ATOM 1002 CA GLU A 69 14.470 -2.264 -38.352 1.00 73.04 C ATOM 1003 C GLU A 69 13.112 -2.787 -37.897 1.00 43.43 C ATOM 1004 O GLU A 69 12.063 -2.226 -38.215 1.00 23.14 O ATOM 1005 CB GLU A 69 15.155 -3.299 -39.247 1.00 71.35 C ATOM 1006 CG GLU A 69 15.427 -2.802 -40.657 1.00 42.54 C ATOM 1007 CD GLU A 69 16.573 -3.537 -41.323 1.00 13.13 C ATOM 1008 OE1 GLU A 69 16.440 -4.758 -41.553 1.00 54.15 O ATOM 1009 OE2 GLU A 69 17.601 -2.893 -41.616 1.00 42.34 O1- ATOM 0 H GLU A 69 16.191 -2.467 -37.170 1.00 22.44 H new ATOM 0 HA GLU A 69 14.314 -1.348 -38.922 1.00 73.04 H new ATOM 0 HB2 GLU A 69 16.098 -3.596 -38.788 1.00 71.35 H new ATOM 0 HB3 GLU A 69 14.531 -4.191 -39.300 1.00 71.35 H new ATOM 0 HG2 GLU A 69 14.526 -2.919 -41.260 1.00 42.54 H new ATOM 0 HG3 GLU A 69 15.653 -1.736 -40.625 1.00 42.54 H new ATOM 1016 N PRO A 70 13.128 -3.890 -37.134 1.00 54.22 N ATOM 1017 CA PRO A 70 11.906 -4.515 -36.618 1.00 20.10 C ATOM 1018 C PRO A 70 11.229 -3.666 -35.547 1.00 1.22 C ATOM 1019 O PRO A 70 10.024 -3.420 -35.606 1.00 33.25 O ATOM 1020 CB PRO A 70 12.407 -5.831 -36.019 1.00 54.11 C ATOM 1021 CG PRO A 70 13.834 -5.573 -35.676 1.00 53.54 C ATOM 1022 CD PRO A 70 14.342 -4.612 -36.716 1.00 23.21 C ATOM 0 HA PRO A 70 11.154 -4.644 -37.396 1.00 20.10 H new ATOM 0 HB2 PRO A 70 11.832 -6.108 -35.136 1.00 54.11 H new ATOM 0 HB3 PRO A 70 12.313 -6.651 -36.731 1.00 54.11 H new ATOM 0 HG2 PRO A 70 13.925 -5.150 -34.676 1.00 53.54 H new ATOM 0 HG3 PRO A 70 14.411 -6.498 -35.684 1.00 53.54 H new ATOM 0 HD2 PRO A 70 15.091 -3.935 -36.306 1.00 23.21 H new ATOM 0 HD3 PRO A 70 14.807 -5.134 -37.552 1.00 23.21 H new ATOM 1030 N LEU A 71 12.011 -3.220 -34.570 1.00 73.21 N ATOM 1031 CA LEU A 71 11.486 -2.397 -33.486 1.00 71.13 C ATOM 1032 C LEU A 71 10.710 -1.205 -34.034 1.00 14.24 C ATOM 1033 O LEU A 71 9.589 -0.929 -33.603 1.00 22.31 O ATOM 1034 CB LEU A 71 12.627 -1.910 -32.590 1.00 11.33 C ATOM 1035 CG LEU A 71 12.230 -1.449 -31.187 1.00 51.51 C ATOM 1036 CD1 LEU A 71 13.241 -1.935 -30.160 1.00 70.15 C ATOM 1037 CD2 LEU A 71 12.103 0.066 -31.139 1.00 52.41 C ATOM 0 H LEU A 71 13.010 -3.414 -34.506 1.00 73.21 H new ATOM 0 HA LEU A 71 10.805 -3.009 -32.895 1.00 71.13 H new ATOM 0 HB2 LEU A 71 13.355 -2.715 -32.493 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.130 -1.084 -33.093 1.00 11.33 H new ATOM 0 HG LEU A 71 11.260 -1.882 -30.944 1.00 51.51 H new ATOM 0 HD11 LEU A 71 12.942 -1.598 -29.168 1.00 70.15 H new ATOM 0 HD12 LEU A 71 13.281 -3.024 -30.176 1.00 70.15 H new ATOM 0 HD13 LEU A 71 14.225 -1.532 -30.399 1.00 70.15 H new ATOM 0 HD21 LEU A 71 11.820 0.376 -30.133 1.00 52.41 H new ATOM 0 HD22 LEU A 71 13.058 0.520 -31.403 1.00 52.41 H new ATOM 0 HD23 LEU A 71 11.340 0.390 -31.847 1.00 52.41 H new ATOM 1049 N TYR A 72 11.311 -0.501 -34.987 1.00 23.13 N ATOM 1050 CA TYR A 72 10.676 0.662 -35.595 1.00 72.33 C ATOM 1051 C TYR A 72 9.450 0.252 -36.406 1.00 64.33 C ATOM 1052 O TYR A 72 8.408 0.905 -36.348 1.00 54.01 O ATOM 1053 CB TYR A 72 11.670 1.402 -36.491 1.00 62.53 C ATOM 1054 CG TYR A 72 11.127 2.693 -37.062 1.00 74.02 C ATOM 1055 CD1 TYR A 72 10.356 2.694 -38.217 1.00 13.23 C ATOM 1056 CD2 TYR A 72 11.387 3.911 -36.445 1.00 33.42 C ATOM 1057 CE1 TYR A 72 9.858 3.870 -38.743 1.00 74.45 C ATOM 1058 CE2 TYR A 72 10.892 5.092 -36.963 1.00 12.54 C ATOM 1059 CZ TYR A 72 10.128 5.067 -38.111 1.00 14.41 C ATOM 1060 OH TYR A 72 9.635 6.242 -38.630 1.00 23.11 O ATOM 0 H TYR A 72 12.238 -0.716 -35.355 1.00 23.13 H new ATOM 0 HA TYR A 72 10.353 1.328 -34.795 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.571 1.619 -35.918 1.00 62.53 H new ATOM 0 HB3 TYR A 72 11.964 0.747 -37.311 1.00 62.53 H new ATOM 0 HD1 TYR A 72 10.142 1.759 -38.713 1.00 13.23 H new ATOM 0 HD2 TYR A 72 11.986 3.934 -35.546 1.00 33.42 H new ATOM 0 HE1 TYR A 72 9.261 3.853 -39.643 1.00 74.45 H new ATOM 0 HE2 TYR A 72 11.102 6.030 -36.471 1.00 12.54 H new ATOM 0 HH TYR A 72 10.088 7.002 -38.208 1.00 23.11 H new ATOM 1070 N ARG A 73 9.583 -0.833 -37.160 1.00 65.44 N ATOM 1071 CA ARG A 73 8.488 -1.331 -37.983 1.00 14.13 C ATOM 1072 C ARG A 73 7.216 -1.494 -37.155 1.00 11.43 C ATOM 1073 O ARG A 73 6.182 -0.899 -37.462 1.00 2.21 O ATOM 1074 CB ARG A 73 8.868 -2.668 -38.622 1.00 24.52 C ATOM 1075 CG ARG A 73 8.103 -2.972 -39.899 1.00 20.20 C ATOM 1076 CD ARG A 73 8.047 -4.467 -40.173 1.00 62.31 C ATOM 1077 NE ARG A 73 9.359 -5.095 -40.051 1.00 14.20 N ATOM 1078 CZ ARG A 73 9.550 -6.410 -40.073 1.00 65.04 C ATOM 1079 NH1 ARG A 73 8.518 -7.230 -40.212 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 10.775 -6.906 -39.955 1.00 13.35 N ATOM 0 H ARG A 73 10.439 -1.385 -37.218 1.00 65.44 H new ATOM 0 HA ARG A 73 8.298 -0.601 -38.770 1.00 14.13 H new ATOM 0 HB2 ARG A 73 9.936 -2.666 -38.840 1.00 24.52 H new ATOM 0 HB3 ARG A 73 8.691 -3.468 -37.903 1.00 24.52 H new ATOM 0 HG2 ARG A 73 7.090 -2.577 -39.820 1.00 20.20 H new ATOM 0 HG3 ARG A 73 8.578 -2.465 -40.739 1.00 20.20 H new ATOM 0 HD2 ARG A 73 7.354 -4.938 -39.476 1.00 62.31 H new ATOM 0 HD3 ARG A 73 7.655 -4.637 -41.176 1.00 62.31 H new ATOM 0 HE ARG A 73 10.174 -4.491 -39.943 1.00 14.20 H new ATOM 0 HH11 ARG A 73 7.575 -6.852 -40.302 1.00 12.32 H new ATOM 0 HH12 ARG A 73 8.667 -8.239 -40.229 1.00 12.32 H new ATOM 0 HH21 ARG A 73 11.571 -6.278 -39.847 1.00 13.35 H new ATOM 0 HH22 ARG A 73 10.920 -7.915 -39.972 1.00 13.35 H new ATOM 1094 N LYS A 74 7.300 -2.303 -36.105 1.00 33.12 N ATOM 1095 CA LYS A 74 6.157 -2.544 -35.231 1.00 31.02 C ATOM 1096 C LYS A 74 5.828 -1.301 -34.410 1.00 63.21 C ATOM 1097 O LYS A 74 4.677 -1.080 -34.034 1.00 75.00 O ATOM 1098 CB LYS A 74 6.442 -3.724 -34.300 1.00 65.31 C ATOM 1099 CG LYS A 74 7.731 -3.578 -33.510 1.00 40.52 C ATOM 1100 CD LYS A 74 7.590 -4.135 -32.103 1.00 34.44 C ATOM 1101 CE LYS A 74 7.794 -5.643 -32.078 1.00 41.15 C ATOM 1102 NZ LYS A 74 7.105 -6.276 -30.920 1.00 30.01 N1+ ATOM 0 H LYS A 74 8.148 -2.803 -35.838 1.00 33.12 H new ATOM 0 HA LYS A 74 5.296 -2.782 -35.856 1.00 31.02 H new ATOM 0 HB2 LYS A 74 5.610 -3.836 -33.605 1.00 65.31 H new ATOM 0 HB3 LYS A 74 6.489 -4.639 -34.891 1.00 65.31 H new ATOM 0 HG2 LYS A 74 8.537 -4.097 -34.028 1.00 40.52 H new ATOM 0 HG3 LYS A 74 8.010 -2.526 -33.459 1.00 40.52 H new ATOM 0 HD2 LYS A 74 8.317 -3.657 -31.447 1.00 34.44 H new ATOM 0 HD3 LYS A 74 6.601 -3.894 -31.712 1.00 34.44 H new ATOM 0 HE2 LYS A 74 7.418 -6.076 -33.005 1.00 41.15 H new ATOM 0 HE3 LYS A 74 8.860 -5.865 -32.032 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 7.268 -7.303 -30.938 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 7.481 -5.882 -30.034 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 6.084 -6.086 -30.977 1.00 30.01 H new ATOM 1116 N LEU A 75 6.845 -0.492 -34.136 1.00 52.50 N ATOM 1117 CA LEU A 75 6.664 0.730 -33.361 1.00 65.55 C ATOM 1118 C LEU A 75 5.751 1.709 -34.092 1.00 75.21 C ATOM 1119 O LEU A 75 4.684 2.069 -33.595 1.00 64.44 O ATOM 1120 CB LEU A 75 8.017 1.387 -33.083 1.00 21.23 C ATOM 1121 CG LEU A 75 7.971 2.782 -32.460 1.00 41.12 C ATOM 1122 CD1 LEU A 75 6.816 2.890 -31.475 1.00 62.14 C ATOM 1123 CD2 LEU A 75 9.291 3.105 -31.774 1.00 51.32 C ATOM 0 H LEU A 75 7.804 -0.660 -34.439 1.00 52.50 H new ATOM 0 HA LEU A 75 6.195 0.463 -32.414 1.00 65.55 H new ATOM 0 HB2 LEU A 75 8.586 0.734 -32.421 1.00 21.23 H new ATOM 0 HB3 LEU A 75 8.568 1.448 -34.021 1.00 21.23 H new ATOM 0 HG LEU A 75 7.811 3.509 -33.257 1.00 41.12 H new ATOM 0 HD11 LEU A 75 6.800 3.890 -31.042 1.00 62.14 H new ATOM 0 HD12 LEU A 75 5.876 2.704 -31.995 1.00 62.14 H new ATOM 0 HD13 LEU A 75 6.944 2.153 -30.682 1.00 62.14 H new ATOM 0 HD21 LEU A 75 9.239 4.102 -31.336 1.00 51.32 H new ATOM 0 HD22 LEU A 75 9.481 2.374 -30.989 1.00 51.32 H new ATOM 0 HD23 LEU A 75 10.099 3.071 -32.505 1.00 51.32 H new ATOM 1135 N GLY A 76 6.177 2.134 -35.278 1.00 21.42 N ATOM 1136 CA GLY A 76 5.385 3.065 -36.060 1.00 10.52 C ATOM 1137 C GLY A 76 6.132 3.586 -37.272 1.00 14.51 C ATOM 1138 O GLY A 76 7.342 3.806 -37.216 1.00 71.33 O ATOM 0 H GLY A 76 7.056 1.850 -35.711 1.00 21.42 H new ATOM 0 HA2 GLY A 76 4.468 2.573 -36.386 1.00 10.52 H new ATOM 0 HA3 GLY A 76 5.090 3.904 -35.430 1.00 10.52 H new ATOM 1142 N GLU A 77 5.410 3.781 -38.371 1.00 31.22 N ATOM 1143 CA GLU A 77 6.014 4.276 -39.602 1.00 3.31 C ATOM 1144 C GLU A 77 5.159 5.378 -40.223 1.00 55.51 C ATOM 1145 O GLU A 77 3.957 5.480 -39.973 1.00 65.31 O ATOM 1146 CB GLU A 77 6.196 3.133 -40.602 1.00 60.22 C ATOM 1147 CG GLU A 77 5.006 2.192 -40.676 1.00 64.43 C ATOM 1148 CD GLU A 77 5.171 0.973 -39.789 1.00 52.41 C ATOM 1149 OE1 GLU A 77 4.491 0.904 -38.743 1.00 31.24 O ATOM 1150 OE2 GLU A 77 5.978 0.088 -40.141 1.00 22.41 O1- ATOM 0 H GLU A 77 4.407 3.604 -38.434 1.00 31.22 H new ATOM 0 HA GLU A 77 6.990 4.693 -39.355 1.00 3.31 H new ATOM 0 HB2 GLU A 77 6.378 3.553 -41.591 1.00 60.22 H new ATOM 0 HB3 GLU A 77 7.084 2.562 -40.330 1.00 60.22 H new ATOM 0 HG2 GLU A 77 4.104 2.730 -40.384 1.00 64.43 H new ATOM 0 HG3 GLU A 77 4.866 1.870 -41.708 1.00 64.43 H new ATOM 1157 N PRO A 78 5.791 6.222 -41.051 1.00 13.34 N ATOM 1158 CA PRO A 78 5.109 7.331 -41.725 1.00 21.23 C ATOM 1159 C PRO A 78 4.140 6.848 -42.799 1.00 62.01 C ATOM 1160 O PRO A 78 4.167 5.683 -43.194 1.00 42.25 O ATOM 1161 CB PRO A 78 6.256 8.122 -42.356 1.00 40.44 C ATOM 1162 CG PRO A 78 7.349 7.125 -42.538 1.00 2.43 C ATOM 1163 CD PRO A 78 7.222 6.158 -41.394 1.00 41.44 C ATOM 0 HA PRO A 78 4.500 7.915 -41.035 1.00 21.23 H new ATOM 0 HB2 PRO A 78 5.958 8.561 -43.308 1.00 40.44 H new ATOM 0 HB3 PRO A 78 6.572 8.943 -41.712 1.00 40.44 H new ATOM 0 HG2 PRO A 78 7.254 6.612 -43.495 1.00 2.43 H new ATOM 0 HG3 PRO A 78 8.325 7.610 -42.532 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.521 5.151 -41.684 1.00 41.44 H new ATOM 0 HD3 PRO A 78 7.851 6.447 -40.552 1.00 41.44 H new ATOM 1171 N SER A 79 3.285 7.752 -43.267 1.00 1.54 N ATOM 1172 CA SER A 79 2.305 7.417 -44.293 1.00 22.12 C ATOM 1173 C SER A 79 2.992 6.893 -45.550 1.00 55.34 C ATOM 1174 O SER A 79 4.217 6.941 -45.668 1.00 42.34 O ATOM 1175 CB SER A 79 1.455 8.643 -44.636 1.00 75.41 C ATOM 1176 OG SER A 79 1.112 9.368 -43.468 1.00 71.31 O ATOM 0 H SER A 79 3.251 8.722 -42.952 1.00 1.54 H new ATOM 0 HA SER A 79 1.658 6.633 -43.900 1.00 22.12 H new ATOM 0 HB2 SER A 79 2.003 9.289 -45.321 1.00 75.41 H new ATOM 0 HB3 SER A 79 0.548 8.328 -45.152 1.00 75.41 H new ATOM 0 HG SER A 79 0.571 10.147 -43.714 1.00 71.31 H new ATOM 1182 N ASP A 80 2.195 6.393 -46.488 1.00 2.42 N ATOM 1183 CA ASP A 80 2.725 5.861 -47.738 1.00 64.33 C ATOM 1184 C ASP A 80 3.519 6.925 -48.488 1.00 41.21 C ATOM 1185 O ASP A 80 4.549 6.633 -49.097 1.00 61.31 O ATOM 1186 CB ASP A 80 1.587 5.340 -48.618 1.00 42.53 C ATOM 1187 CG ASP A 80 0.697 6.455 -49.133 1.00 72.41 C ATOM 1188 OD1 ASP A 80 0.997 7.003 -50.213 1.00 61.52 O ATOM 1189 OD2 ASP A 80 -0.300 6.778 -48.454 1.00 62.51 O1- ATOM 0 H ASP A 80 1.179 6.345 -46.406 1.00 2.42 H new ATOM 0 HA ASP A 80 3.395 5.036 -47.498 1.00 64.33 H new ATOM 0 HB2 ASP A 80 2.006 4.794 -49.463 1.00 42.53 H new ATOM 0 HB3 ASP A 80 0.985 4.632 -48.048 1.00 42.53 H new ATOM 1194 N LYS A 81 3.034 8.161 -48.442 1.00 63.24 N ATOM 1195 CA LYS A 81 3.698 9.270 -49.117 1.00 42.30 C ATOM 1196 C LYS A 81 5.170 9.343 -48.724 1.00 52.43 C ATOM 1197 O LYS A 81 6.053 9.193 -49.568 1.00 13.12 O ATOM 1198 CB LYS A 81 3.003 10.591 -48.776 1.00 24.44 C ATOM 1199 CG LYS A 81 3.598 11.792 -49.490 1.00 13.30 C ATOM 1200 CD LYS A 81 3.432 11.687 -50.996 1.00 11.42 C ATOM 1201 CE LYS A 81 3.820 12.981 -51.692 1.00 51.52 C ATOM 1202 NZ LYS A 81 3.191 13.099 -53.037 1.00 62.13 N1+ ATOM 0 H LYS A 81 2.183 8.420 -47.944 1.00 63.24 H new ATOM 0 HA LYS A 81 3.634 9.099 -50.192 1.00 42.30 H new ATOM 0 HB2 LYS A 81 1.946 10.513 -49.032 1.00 24.44 H new ATOM 0 HB3 LYS A 81 3.059 10.754 -47.700 1.00 24.44 H new ATOM 0 HG2 LYS A 81 3.117 12.703 -49.133 1.00 13.30 H new ATOM 0 HG3 LYS A 81 4.657 11.874 -49.245 1.00 13.30 H new ATOM 0 HD2 LYS A 81 4.047 10.871 -51.375 1.00 11.42 H new ATOM 0 HD3 LYS A 81 2.397 11.442 -51.233 1.00 11.42 H new ATOM 0 HE2 LYS A 81 3.520 13.829 -51.076 1.00 51.52 H new ATOM 0 HE3 LYS A 81 4.904 13.028 -51.793 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 3.481 13.995 -53.478 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 3.497 12.304 -53.634 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 2.156 13.080 -52.939 1.00 62.13 H new ATOM 1216 N GLU A 82 5.425 9.570 -47.440 1.00 13.40 N ATOM 1217 CA GLU A 82 6.792 9.662 -46.938 1.00 22.15 C ATOM 1218 C GLU A 82 7.495 8.311 -47.025 1.00 24.23 C ATOM 1219 O GLU A 82 8.695 8.239 -47.288 1.00 2.21 O ATOM 1220 CB GLU A 82 6.795 10.158 -45.491 1.00 53.12 C ATOM 1221 CG GLU A 82 6.602 11.660 -45.363 1.00 71.53 C ATOM 1222 CD GLU A 82 6.041 12.064 -44.013 1.00 12.30 C ATOM 1223 OE1 GLU A 82 5.312 11.250 -43.408 1.00 14.14 O ATOM 1224 OE2 GLU A 82 6.330 13.191 -43.563 1.00 32.01 O1- ATOM 0 H GLU A 82 4.705 9.694 -46.729 1.00 13.40 H new ATOM 0 HA GLU A 82 7.333 10.375 -47.560 1.00 22.15 H new ATOM 0 HB2 GLU A 82 6.004 9.650 -44.940 1.00 53.12 H new ATOM 0 HB3 GLU A 82 7.739 9.880 -45.022 1.00 53.12 H new ATOM 0 HG2 GLU A 82 7.558 12.160 -45.519 1.00 71.53 H new ATOM 0 HG3 GLU A 82 5.930 12.004 -46.149 1.00 71.53 H new ATOM 1231 N TYR A 83 6.737 7.241 -46.802 1.00 32.52 N ATOM 1232 CA TYR A 83 7.288 5.892 -46.851 1.00 21.41 C ATOM 1233 C TYR A 83 7.950 5.623 -48.199 1.00 74.33 C ATOM 1234 O TYR A 83 9.110 5.214 -48.262 1.00 30.25 O ATOM 1235 CB TYR A 83 6.187 4.860 -46.597 1.00 60.15 C ATOM 1236 CG TYR A 83 6.705 3.450 -46.430 1.00 3.54 C ATOM 1237 CD1 TYR A 83 7.240 2.754 -47.508 1.00 33.43 C ATOM 1238 CD2 TYR A 83 6.661 2.813 -45.196 1.00 72.12 C ATOM 1239 CE1 TYR A 83 7.714 1.465 -47.361 1.00 3.43 C ATOM 1240 CE2 TYR A 83 7.134 1.525 -45.040 1.00 71.42 C ATOM 1241 CZ TYR A 83 7.659 0.855 -46.126 1.00 11.20 C ATOM 1242 OH TYR A 83 8.131 -0.429 -45.974 1.00 41.13 O ATOM 0 H TYR A 83 5.741 7.283 -46.586 1.00 32.52 H new ATOM 0 HA TYR A 83 8.045 5.807 -46.071 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.635 5.144 -45.701 1.00 60.15 H new ATOM 0 HB3 TYR A 83 5.481 4.883 -47.427 1.00 60.15 H new ATOM 0 HD1 TYR A 83 7.286 3.229 -48.477 1.00 33.43 H new ATOM 0 HD2 TYR A 83 6.250 3.334 -44.344 1.00 72.12 H new ATOM 0 HE1 TYR A 83 8.126 0.938 -48.209 1.00 3.43 H new ATOM 0 HE2 TYR A 83 7.093 1.045 -44.073 1.00 71.42 H new ATOM 0 HH TYR A 83 8.020 -0.710 -45.042 1.00 41.13 H new ATOM 1252 N ASP A 84 7.205 5.856 -49.273 1.00 24.14 N ATOM 1253 CA ASP A 84 7.719 5.641 -50.622 1.00 41.30 C ATOM 1254 C ASP A 84 8.847 6.619 -50.935 1.00 24.23 C ATOM 1255 O ASP A 84 9.862 6.244 -51.523 1.00 11.41 O ATOM 1256 CB ASP A 84 6.596 5.792 -51.649 1.00 33.25 C ATOM 1257 CG ASP A 84 6.757 4.849 -52.825 1.00 12.43 C ATOM 1258 OD1 ASP A 84 7.912 4.529 -53.175 1.00 71.12 O ATOM 1259 OD2 ASP A 84 5.728 4.430 -53.395 1.00 45.14 O1- ATOM 0 H ASP A 84 6.243 6.194 -49.237 1.00 24.14 H new ATOM 0 HA ASP A 84 8.116 4.627 -50.676 1.00 41.30 H new ATOM 0 HB2 ASP A 84 5.637 5.605 -51.165 1.00 33.25 H new ATOM 0 HB3 ASP A 84 6.575 6.820 -52.011 1.00 33.25 H new ATOM 1264 N LEU A 85 8.662 7.875 -50.541 1.00 20.31 N ATOM 1265 CA LEU A 85 9.664 8.907 -50.781 1.00 5.33 C ATOM 1266 C LEU A 85 11.012 8.507 -50.189 1.00 63.15 C ATOM 1267 O LEU A 85 12.061 8.785 -50.769 1.00 64.22 O ATOM 1268 CB LEU A 85 9.206 10.238 -50.181 1.00 32.10 C ATOM 1269 CG LEU A 85 8.937 11.366 -51.177 1.00 40.23 C ATOM 1270 CD1 LEU A 85 7.656 11.100 -51.952 1.00 13.40 C ATOM 1271 CD2 LEU A 85 8.859 12.705 -50.458 1.00 5.43 C ATOM 0 H LEU A 85 7.828 8.202 -50.054 1.00 20.31 H new ATOM 0 HA LEU A 85 9.781 9.021 -51.859 1.00 5.33 H new ATOM 0 HB2 LEU A 85 8.296 10.061 -49.608 1.00 32.10 H new ATOM 0 HB3 LEU A 85 9.965 10.576 -49.476 1.00 32.10 H new ATOM 0 HG LEU A 85 9.765 11.404 -51.885 1.00 40.23 H new ATOM 0 HD11 LEU A 85 7.481 11.914 -52.656 1.00 13.40 H new ATOM 0 HD12 LEU A 85 7.749 10.161 -52.498 1.00 13.40 H new ATOM 0 HD13 LEU A 85 6.818 11.034 -51.258 1.00 13.40 H new ATOM 0 HD21 LEU A 85 8.667 13.496 -51.183 1.00 5.43 H new ATOM 0 HD22 LEU A 85 8.051 12.679 -49.727 1.00 5.43 H new ATOM 0 HD23 LEU A 85 9.803 12.900 -49.949 1.00 5.43 H new ATOM 1283 N ILE A 86 10.973 7.851 -49.034 1.00 45.10 N ATOM 1284 CA ILE A 86 12.193 7.409 -48.367 1.00 32.42 C ATOM 1285 C ILE A 86 12.798 6.201 -49.073 1.00 52.13 C ATOM 1286 O ILE A 86 13.966 6.217 -49.460 1.00 14.31 O ATOM 1287 CB ILE A 86 11.928 7.050 -46.893 1.00 62.20 C ATOM 1288 CG1 ILE A 86 11.373 8.263 -46.142 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.204 6.551 -46.233 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.419 7.897 -45.027 1.00 63.41 C ATOM 0 H ILE A 86 10.112 7.614 -48.541 1.00 45.10 H new ATOM 0 HA ILE A 86 12.897 8.240 -48.409 1.00 32.42 H new ATOM 0 HB ILE A 86 11.186 6.252 -46.856 1.00 62.20 H new ATOM 0 HG12 ILE A 86 12.203 8.834 -45.726 1.00 10.12 H new ATOM 0 HG13 ILE A 86 10.860 8.915 -46.849 1.00 10.12 H new ATOM 0 HG21 ILE A 86 13.001 6.301 -45.192 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.561 5.664 -46.756 1.00 11.21 H new ATOM 0 HG23 ILE A 86 13.965 7.330 -46.278 1.00 11.21 H new ATOM 0 HD11 ILE A 86 10.065 8.805 -44.538 1.00 63.41 H new ATOM 0 HD12 ILE A 86 9.570 7.352 -45.439 1.00 63.41 H new ATOM 0 HD13 ILE A 86 10.934 7.270 -44.299 1.00 63.41 H new ATOM 1302 N ASP A 87 11.996 5.155 -49.237 1.00 50.21 N ATOM 1303 CA ASP A 87 12.450 3.938 -49.898 1.00 61.54 C ATOM 1304 C ASP A 87 12.964 4.242 -51.303 1.00 73.01 C ATOM 1305 O ASP A 87 13.775 3.497 -51.851 1.00 74.03 O ATOM 1306 CB ASP A 87 11.316 2.914 -49.967 1.00 35.13 C ATOM 1307 CG ASP A 87 11.775 1.578 -50.515 1.00 41.55 C ATOM 1308 OD1 ASP A 87 10.997 0.940 -51.254 1.00 61.45 O ATOM 1309 OD2 ASP A 87 12.914 1.169 -50.205 1.00 51.34 O1- ATOM 0 H ASP A 87 11.027 5.126 -48.921 1.00 50.21 H new ATOM 0 HA ASP A 87 13.269 3.521 -49.312 1.00 61.54 H new ATOM 0 HB2 ASP A 87 10.899 2.771 -48.970 1.00 35.13 H new ATOM 0 HB3 ASP A 87 10.515 3.305 -50.595 1.00 35.13 H new ATOM 1314 N GLN A 88 12.483 5.340 -51.877 1.00 32.35 N ATOM 1315 CA GLN A 88 12.892 5.741 -53.219 1.00 71.22 C ATOM 1316 C GLN A 88 14.288 6.354 -53.202 1.00 44.01 C ATOM 1317 O GLN A 88 15.000 6.329 -54.205 1.00 30.30 O ATOM 1318 CB GLN A 88 11.891 6.738 -53.804 1.00 71.55 C ATOM 1319 CG GLN A 88 10.761 6.082 -54.580 1.00 72.24 C ATOM 1320 CD GLN A 88 9.969 7.074 -55.409 1.00 74.11 C ATOM 1321 OE1 GLN A 88 8.850 7.445 -55.052 1.00 14.12 O ATOM 1322 NE2 GLN A 88 10.546 7.510 -56.522 1.00 31.43 N ATOM 0 H GLN A 88 11.811 5.967 -51.435 1.00 32.35 H new ATOM 0 HA GLN A 88 12.914 4.850 -53.846 1.00 71.22 H new ATOM 0 HB2 GLN A 88 11.467 7.332 -52.994 1.00 71.55 H new ATOM 0 HB3 GLN A 88 12.420 7.427 -54.462 1.00 71.55 H new ATOM 0 HG2 GLN A 88 11.173 5.314 -55.235 1.00 72.24 H new ATOM 0 HG3 GLN A 88 10.090 5.580 -53.883 1.00 72.24 H new ATOM 0 HE21 GLN A 88 11.475 7.176 -56.780 1.00 31.43 H new ATOM 0 HE22 GLN A 88 10.061 8.179 -57.120 1.00 31.43 H new ATOM 1331 N ALA A 89 14.672 6.905 -52.055 1.00 43.05 N ATOM 1332 CA ALA A 89 15.984 7.524 -51.907 1.00 33.15 C ATOM 1333 C ALA A 89 17.062 6.473 -51.660 1.00 24.14 C ATOM 1334 O ALA A 89 16.792 5.413 -51.098 1.00 71.13 O ATOM 1335 CB ALA A 89 15.964 8.539 -50.773 1.00 12.20 C ATOM 0 H ALA A 89 14.094 6.935 -51.215 1.00 43.05 H new ATOM 0 HA ALA A 89 16.222 8.040 -52.837 1.00 33.15 H new ATOM 0 HB1 ALA A 89 16.950 8.993 -50.674 1.00 12.20 H new ATOM 0 HB2 ALA A 89 15.228 9.313 -50.990 1.00 12.20 H new ATOM 0 HB3 ALA A 89 15.700 8.039 -49.841 1.00 12.20 H new ATOM 1341 N PHE A 90 18.284 6.775 -52.085 1.00 74.20 N ATOM 1342 CA PHE A 90 19.403 5.856 -51.913 1.00 75.52 C ATOM 1343 C PHE A 90 19.756 5.702 -50.436 1.00 71.45 C ATOM 1344 O PHE A 90 19.946 6.688 -49.725 1.00 12.24 O ATOM 1345 CB PHE A 90 20.623 6.352 -52.691 1.00 64.23 C ATOM 1346 CG PHE A 90 21.187 7.641 -52.165 1.00 13.13 C ATOM 1347 CD1 PHE A 90 20.675 8.858 -52.585 1.00 30.42 C ATOM 1348 CD2 PHE A 90 22.229 7.636 -51.253 1.00 65.35 C ATOM 1349 CE1 PHE A 90 21.191 10.047 -52.103 1.00 45.43 C ATOM 1350 CE2 PHE A 90 22.749 8.821 -50.768 1.00 31.34 C ATOM 1351 CZ PHE A 90 22.230 10.027 -51.194 1.00 1.02 C ATOM 0 H PHE A 90 18.525 7.650 -52.551 1.00 74.20 H new ATOM 0 HA PHE A 90 19.105 4.882 -52.302 1.00 75.52 H new ATOM 0 HB2 PHE A 90 21.398 5.587 -52.661 1.00 64.23 H new ATOM 0 HB3 PHE A 90 20.347 6.486 -53.737 1.00 64.23 H new ATOM 0 HD1 PHE A 90 19.863 8.878 -53.297 1.00 30.42 H new ATOM 0 HD2 PHE A 90 22.640 6.695 -50.917 1.00 65.35 H new ATOM 0 HE1 PHE A 90 20.782 10.989 -52.437 1.00 45.43 H new ATOM 0 HE2 PHE A 90 23.561 8.803 -50.056 1.00 31.34 H new ATOM 0 HZ PHE A 90 22.636 10.954 -50.817 1.00 1.02 H new ATOM 1361 N GLY A 91 19.843 4.455 -49.981 1.00 12.51 N ATOM 1362 CA GLY A 91 20.173 4.194 -48.592 1.00 14.41 C ATOM 1363 C GLY A 91 19.279 4.953 -47.631 1.00 73.13 C ATOM 1364 O GLY A 91 19.748 5.485 -46.626 1.00 4.35 O ATOM 0 H GLY A 91 19.691 3.622 -50.549 1.00 12.51 H new ATOM 0 HA2 GLY A 91 20.087 3.125 -48.396 1.00 14.41 H new ATOM 0 HA3 GLY A 91 21.212 4.469 -48.411 1.00 14.41 H new ATOM 1368 N ALA A 92 17.987 5.003 -47.940 1.00 4.24 N ATOM 1369 CA ALA A 92 17.026 5.702 -47.097 1.00 70.22 C ATOM 1370 C ALA A 92 15.953 4.748 -46.582 1.00 24.25 C ATOM 1371 O ALA A 92 15.192 4.174 -47.361 1.00 13.15 O ATOM 1372 CB ALA A 92 16.389 6.851 -47.864 1.00 0.13 C ATOM 0 H ALA A 92 17.582 4.567 -48.769 1.00 4.24 H new ATOM 0 HA ALA A 92 17.560 6.106 -46.237 1.00 70.22 H new ATOM 0 HB1 ALA A 92 15.673 7.364 -47.222 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.162 7.552 -48.178 1.00 0.13 H new ATOM 0 HB3 ALA A 92 15.874 6.461 -48.742 1.00 0.13 H new ATOM 1378 N THR A 93 15.898 4.582 -45.264 1.00 45.11 N ATOM 1379 CA THR A 93 14.920 3.698 -44.645 1.00 43.04 C ATOM 1380 C THR A 93 13.939 4.481 -43.780 1.00 51.13 C ATOM 1381 O THR A 93 14.310 5.459 -43.133 1.00 12.44 O ATOM 1382 CB THR A 93 15.604 2.622 -43.780 1.00 14.42 C ATOM 1383 OG1 THR A 93 16.962 2.446 -44.199 1.00 31.50 O ATOM 1384 CG2 THR A 93 14.862 1.298 -43.875 1.00 75.11 C ATOM 0 H THR A 93 16.520 5.049 -44.605 1.00 45.11 H new ATOM 0 HA THR A 93 14.377 3.212 -45.455 1.00 43.04 H new ATOM 0 HB THR A 93 15.585 2.956 -42.743 1.00 14.42 H new ATOM 0 HG1 THR A 93 17.390 1.762 -43.643 1.00 31.50 H new ATOM 0 HG21 THR A 93 15.364 0.554 -43.256 1.00 75.11 H new ATOM 0 HG22 THR A 93 13.838 1.429 -43.526 1.00 75.11 H new ATOM 0 HG23 THR A 93 14.852 0.960 -44.911 1.00 75.11 H new ATOM 1392 N GLY A 94 12.683 4.044 -43.774 1.00 64.34 N ATOM 1393 CA GLY A 94 11.668 4.717 -42.984 1.00 73.52 C ATOM 1394 C GLY A 94 12.046 4.819 -41.520 1.00 11.42 C ATOM 1395 O GLY A 94 11.571 5.704 -40.808 1.00 75.13 O ATOM 0 H GLY A 94 12.351 3.237 -44.302 1.00 64.34 H new ATOM 0 HA2 GLY A 94 11.505 5.718 -43.384 1.00 73.52 H new ATOM 0 HA3 GLY A 94 10.725 4.179 -43.076 1.00 73.52 H new ATOM 1399 N THR A 95 12.903 3.909 -41.066 1.00 3.02 N ATOM 1400 CA THR A 95 13.342 3.900 -39.677 1.00 45.00 C ATOM 1401 C THR A 95 14.326 5.031 -39.403 1.00 1.41 C ATOM 1402 O THR A 95 14.785 5.207 -38.275 1.00 53.40 O ATOM 1403 CB THR A 95 14.003 2.558 -39.306 1.00 64.24 C ATOM 1404 OG1 THR A 95 15.296 2.465 -39.915 1.00 24.23 O ATOM 1405 CG2 THR A 95 13.141 1.387 -39.754 1.00 23.25 C ATOM 0 H THR A 95 13.306 3.169 -41.641 1.00 3.02 H new ATOM 0 HA THR A 95 12.452 4.041 -39.064 1.00 45.00 H new ATOM 0 HB THR A 95 14.108 2.517 -38.222 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.711 1.611 -39.673 1.00 24.23 H new ATOM 0 HG21 THR A 95 13.628 0.451 -39.481 1.00 23.25 H new ATOM 0 HG22 THR A 95 12.167 1.445 -39.267 1.00 23.25 H new ATOM 0 HG23 THR A 95 13.009 1.425 -40.835 1.00 23.25 H new ATOM 1413 N SER A 96 14.645 5.795 -40.442 1.00 4.44 N ATOM 1414 CA SER A 96 15.578 6.909 -40.313 1.00 60.11 C ATOM 1415 C SER A 96 14.841 8.196 -39.951 1.00 71.41 C ATOM 1416 O SER A 96 15.459 9.191 -39.573 1.00 10.54 O ATOM 1417 CB SER A 96 16.356 7.104 -41.617 1.00 33.34 C ATOM 1418 OG SER A 96 17.381 8.069 -41.459 1.00 54.01 O ATOM 0 H SER A 96 14.272 5.664 -41.382 1.00 4.44 H new ATOM 0 HA SER A 96 16.278 6.673 -39.512 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.791 6.155 -41.930 1.00 33.34 H new ATOM 0 HB3 SER A 96 15.674 7.419 -42.407 1.00 33.34 H new ATOM 0 HG SER A 96 17.155 8.668 -40.717 1.00 54.01 H new ATOM 1424 N ARG A 97 13.518 8.166 -40.070 1.00 14.14 N ATOM 1425 CA ARG A 97 12.697 9.329 -39.756 1.00 44.44 C ATOM 1426 C ARG A 97 11.949 9.128 -38.442 1.00 41.24 C ATOM 1427 O ARG A 97 11.454 8.036 -38.158 1.00 64.24 O ATOM 1428 CB ARG A 97 11.701 9.596 -40.887 1.00 70.20 C ATOM 1429 CG ARG A 97 12.354 9.742 -42.252 1.00 33.41 C ATOM 1430 CD ARG A 97 11.608 10.743 -43.121 1.00 21.13 C ATOM 1431 NE ARG A 97 12.425 11.214 -44.236 1.00 44.32 N ATOM 1432 CZ ARG A 97 13.376 12.133 -44.115 1.00 45.23 C ATOM 1433 NH1 ARG A 97 13.628 12.678 -42.932 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 14.077 12.510 -45.176 1.00 33.05 N ATOM 0 H ARG A 97 12.992 7.350 -40.381 1.00 14.14 H new ATOM 0 HA ARG A 97 13.356 10.190 -39.650 1.00 44.44 H new ATOM 0 HB2 ARG A 97 10.979 8.780 -40.924 1.00 70.20 H new ATOM 0 HB3 ARG A 97 11.143 10.505 -40.661 1.00 70.20 H new ATOM 0 HG2 ARG A 97 13.388 10.064 -42.130 1.00 33.41 H new ATOM 0 HG3 ARG A 97 12.379 8.773 -42.750 1.00 33.41 H new ATOM 0 HD2 ARG A 97 10.699 10.282 -43.507 1.00 21.13 H new ATOM 0 HD3 ARG A 97 11.300 11.593 -42.512 1.00 21.13 H new ATOM 0 HE ARG A 97 12.256 10.815 -45.159 1.00 44.32 H new ATOM 0 HH11 ARG A 97 13.091 12.391 -42.114 1.00 54.10 H new ATOM 0 HH12 ARG A 97 14.359 13.384 -42.841 1.00 54.10 H new ATOM 0 HH21 ARG A 97 13.886 12.094 -46.087 1.00 33.05 H new ATOM 0 HH22 ARG A 97 14.807 13.216 -45.080 1.00 33.05 H new ATOM 1448 N LEU A 98 11.871 10.186 -37.644 1.00 2.12 N ATOM 1449 CA LEU A 98 11.184 10.126 -36.358 1.00 73.45 C ATOM 1450 C LEU A 98 10.783 11.522 -35.890 1.00 21.34 C ATOM 1451 O LEU A 98 11.273 12.525 -36.406 1.00 13.34 O ATOM 1452 CB LEU A 98 12.077 9.460 -35.311 1.00 23.22 C ATOM 1453 CG LEU A 98 11.378 8.988 -34.035 1.00 64.21 C ATOM 1454 CD1 LEU A 98 10.253 8.022 -34.370 1.00 54.22 C ATOM 1455 CD2 LEU A 98 12.377 8.338 -33.088 1.00 44.21 C ATOM 0 H LEU A 98 12.275 11.096 -37.864 1.00 2.12 H new ATOM 0 HA LEU A 98 10.279 9.532 -36.484 1.00 73.45 H new ATOM 0 HB2 LEU A 98 12.566 8.602 -35.772 1.00 23.22 H new ATOM 0 HB3 LEU A 98 12.862 10.163 -35.033 1.00 23.22 H new ATOM 0 HG LEU A 98 10.948 9.857 -33.537 1.00 64.21 H new ATOM 0 HD11 LEU A 98 9.767 7.697 -33.450 1.00 54.22 H new ATOM 0 HD12 LEU A 98 9.524 8.520 -35.009 1.00 54.22 H new ATOM 0 HD13 LEU A 98 10.660 7.156 -34.891 1.00 54.22 H new ATOM 0 HD21 LEU A 98 11.862 8.008 -32.186 1.00 44.21 H new ATOM 0 HD22 LEU A 98 12.837 7.479 -33.577 1.00 44.21 H new ATOM 0 HD23 LEU A 98 13.149 9.060 -32.822 1.00 44.21 H new ATOM 1467 N GLY A 99 9.891 11.576 -34.905 1.00 65.55 N ATOM 1468 CA GLY A 99 9.441 12.853 -34.381 1.00 71.01 C ATOM 1469 C GLY A 99 10.270 13.320 -33.201 1.00 52.33 C ATOM 1470 O GLY A 99 11.500 13.310 -33.254 1.00 62.04 O ATOM 0 H GLY A 99 9.472 10.759 -34.461 1.00 65.55 H new ATOM 0 HA2 GLY A 99 9.485 13.602 -35.171 1.00 71.01 H new ATOM 0 HA3 GLY A 99 8.397 12.770 -34.078 1.00 71.01 H new ATOM 1474 N CYS A 100 9.596 13.732 -32.133 1.00 23.20 N ATOM 1475 CA CYS A 100 10.277 14.207 -30.935 1.00 42.23 C ATOM 1476 C CYS A 100 9.862 13.392 -29.713 1.00 61.43 C ATOM 1477 O CYS A 100 10.705 12.844 -29.005 1.00 22.54 O ATOM 1478 CB CYS A 100 9.971 15.688 -30.702 1.00 12.14 C ATOM 1479 SG CYS A 100 10.755 16.808 -31.907 1.00 33.11 S ATOM 0 H CYS A 100 8.578 13.746 -32.073 1.00 23.20 H new ATOM 0 HA CYS A 100 11.350 14.084 -31.085 1.00 42.23 H new ATOM 0 HB2 CYS A 100 8.891 15.834 -30.735 1.00 12.14 H new ATOM 0 HB3 CYS A 100 10.300 15.963 -29.700 1.00 12.14 H new ATOM 0 HG CYS A 100 10.436 18.037 -31.629 1.00 33.11 H new ATOM 1484 N GLN A 101 8.556 13.318 -29.475 1.00 51.23 N ATOM 1485 CA GLN A 101 8.028 12.571 -28.340 1.00 32.50 C ATOM 1486 C GLN A 101 8.581 11.150 -28.319 1.00 24.44 C ATOM 1487 O GLN A 101 8.700 10.503 -29.360 1.00 62.34 O ATOM 1488 CB GLN A 101 6.499 12.536 -28.391 1.00 54.33 C ATOM 1489 CG GLN A 101 5.860 13.914 -28.411 1.00 51.15 C ATOM 1490 CD GLN A 101 5.619 14.466 -27.020 1.00 64.22 C ATOM 1491 OE1 GLN A 101 5.720 13.746 -26.027 1.00 14.41 O ATOM 1492 NE2 GLN A 101 5.295 15.752 -26.942 1.00 64.44 N ATOM 0 H GLN A 101 7.845 13.766 -30.053 1.00 51.23 H new ATOM 0 HA GLN A 101 8.342 13.077 -27.427 1.00 32.50 H new ATOM 0 HB2 GLN A 101 6.186 11.986 -29.279 1.00 54.33 H new ATOM 0 HB3 GLN A 101 6.127 11.985 -27.527 1.00 54.33 H new ATOM 0 HG2 GLN A 101 6.502 14.600 -28.964 1.00 51.15 H new ATOM 0 HG3 GLN A 101 4.912 13.863 -28.947 1.00 51.15 H new ATOM 0 HE21 GLN A 101 5.222 16.312 -27.791 1.00 64.44 H new ATOM 0 HE22 GLN A 101 5.119 16.179 -26.033 1.00 64.44 H new ATOM 1501 N LEU A 102 8.917 10.668 -27.127 1.00 65.25 N ATOM 1502 CA LEU A 102 9.458 9.322 -26.971 1.00 63.32 C ATOM 1503 C LEU A 102 9.680 8.992 -25.498 1.00 43.03 C ATOM 1504 O LEU A 102 10.119 9.840 -24.722 1.00 43.45 O ATOM 1505 CB LEU A 102 10.774 9.187 -27.740 1.00 54.24 C ATOM 1506 CG LEU A 102 11.037 7.826 -28.385 1.00 12.13 C ATOM 1507 CD1 LEU A 102 9.943 7.488 -29.384 1.00 65.13 C ATOM 1508 CD2 LEU A 102 12.401 7.812 -29.060 1.00 5.14 C ATOM 0 H LEU A 102 8.824 11.189 -26.255 1.00 65.25 H new ATOM 0 HA LEU A 102 8.733 8.616 -27.377 1.00 63.32 H new ATOM 0 HB2 LEU A 102 10.795 9.947 -28.521 1.00 54.24 H new ATOM 0 HB3 LEU A 102 11.595 9.408 -27.058 1.00 54.24 H new ATOM 0 HG LEU A 102 11.032 7.067 -27.603 1.00 12.13 H new ATOM 0 HD11 LEU A 102 10.148 6.516 -29.833 1.00 65.13 H new ATOM 0 HD12 LEU A 102 8.981 7.457 -28.873 1.00 65.13 H new ATOM 0 HD13 LEU A 102 9.915 8.249 -30.164 1.00 65.13 H new ATOM 0 HD21 LEU A 102 12.572 6.836 -29.514 1.00 5.14 H new ATOM 0 HD22 LEU A 102 12.433 8.582 -29.831 1.00 5.14 H new ATOM 0 HD23 LEU A 102 13.176 8.008 -28.319 1.00 5.14 H new ATOM 1520 N ARG A 103 9.376 7.755 -25.122 1.00 52.25 N ATOM 1521 CA ARG A 103 9.543 7.313 -23.742 1.00 12.23 C ATOM 1522 C ARG A 103 10.045 5.874 -23.690 1.00 22.20 C ATOM 1523 O ARG A 103 9.820 5.092 -24.615 1.00 3.34 O ATOM 1524 CB ARG A 103 8.220 7.431 -22.982 1.00 33.05 C ATOM 1525 CG ARG A 103 8.392 7.570 -21.479 1.00 62.04 C ATOM 1526 CD ARG A 103 8.202 9.009 -21.027 1.00 70.21 C ATOM 1527 NE ARG A 103 6.836 9.476 -21.246 1.00 53.42 N ATOM 1528 CZ ARG A 103 6.464 10.745 -21.130 1.00 21.50 C ATOM 1529 NH1 ARG A 103 7.354 11.672 -20.800 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 5.201 11.091 -21.345 1.00 43.51 N ATOM 0 H ARG A 103 9.013 7.041 -25.753 1.00 52.25 H new ATOM 0 HA ARG A 103 10.285 7.956 -23.268 1.00 12.23 H new ATOM 0 HB2 ARG A 103 7.671 8.294 -23.358 1.00 33.05 H new ATOM 0 HB3 ARG A 103 7.612 6.551 -23.190 1.00 33.05 H new ATOM 0 HG2 ARG A 103 7.673 6.929 -20.969 1.00 62.04 H new ATOM 0 HG3 ARG A 103 9.386 7.226 -21.192 1.00 62.04 H new ATOM 0 HD2 ARG A 103 8.448 9.092 -19.968 1.00 70.21 H new ATOM 0 HD3 ARG A 103 8.896 9.653 -21.567 1.00 70.21 H new ATOM 0 HE ARG A 103 6.128 8.788 -21.503 1.00 53.42 H new ATOM 0 HH11 ARG A 103 8.326 11.410 -20.635 1.00 52.01 H new ATOM 0 HH12 ARG A 103 7.066 12.647 -20.711 1.00 52.01 H new ATOM 0 HH21 ARG A 103 4.514 10.381 -21.600 1.00 43.51 H new ATOM 0 HH22 ARG A 103 4.917 12.067 -21.255 1.00 43.51 H new ATOM 1544 N VAL A 104 10.728 5.529 -22.602 1.00 21.01 N ATOM 1545 CA VAL A 104 11.262 4.184 -22.429 1.00 23.15 C ATOM 1546 C VAL A 104 10.154 3.192 -22.086 1.00 51.50 C ATOM 1547 O VAL A 104 9.409 3.387 -21.126 1.00 20.41 O ATOM 1548 CB VAL A 104 12.333 4.143 -21.323 1.00 3.52 C ATOM 1549 CG1 VAL A 104 12.843 2.723 -21.124 1.00 0.25 C ATOM 1550 CG2 VAL A 104 13.477 5.087 -21.655 1.00 72.24 C ATOM 0 H VAL A 104 10.924 6.163 -21.828 1.00 21.01 H new ATOM 0 HA VAL A 104 11.719 3.901 -23.377 1.00 23.15 H new ATOM 0 HB VAL A 104 11.878 4.474 -20.389 1.00 3.52 H new ATOM 0 HG11 VAL A 104 13.599 2.715 -20.339 1.00 0.25 H new ATOM 0 HG12 VAL A 104 12.014 2.076 -20.837 1.00 0.25 H new ATOM 0 HG13 VAL A 104 13.282 2.360 -22.054 1.00 0.25 H new ATOM 0 HG21 VAL A 104 14.225 5.045 -20.863 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.932 4.789 -22.600 1.00 72.24 H new ATOM 0 HG23 VAL A 104 13.096 6.105 -21.741 1.00 72.24 H new ATOM 1560 N ASP A 105 10.053 2.131 -22.878 1.00 71.13 N ATOM 1561 CA ASP A 105 9.038 1.107 -22.658 1.00 40.04 C ATOM 1562 C ASP A 105 9.630 -0.289 -22.821 1.00 72.04 C ATOM 1563 O ASP A 105 10.749 -0.449 -23.308 1.00 10.30 O ATOM 1564 CB ASP A 105 7.872 1.297 -23.630 1.00 44.20 C ATOM 1565 CG ASP A 105 6.552 0.831 -23.049 1.00 65.14 C ATOM 1566 OD1 ASP A 105 6.285 1.132 -21.866 1.00 23.23 O ATOM 1567 OD2 ASP A 105 5.786 0.168 -23.777 1.00 33.31 O1- ATOM 0 H ASP A 105 10.661 1.957 -23.678 1.00 71.13 H new ATOM 0 HA ASP A 105 8.670 1.209 -21.637 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.795 2.350 -23.899 1.00 44.20 H new ATOM 0 HB3 ASP A 105 8.076 0.747 -24.549 1.00 44.20 H new ATOM 1572 N LYS A 106 8.871 -1.300 -22.409 1.00 24.41 N ATOM 1573 CA LYS A 106 9.318 -2.683 -22.508 1.00 72.51 C ATOM 1574 C LYS A 106 9.662 -3.042 -23.950 1.00 64.01 C ATOM 1575 O LYS A 106 10.635 -3.750 -24.209 1.00 34.22 O ATOM 1576 CB LYS A 106 8.239 -3.630 -21.979 1.00 13.33 C ATOM 1577 CG LYS A 106 8.794 -4.888 -21.335 1.00 33.41 C ATOM 1578 CD LYS A 106 9.104 -4.671 -19.863 1.00 30.24 C ATOM 1579 CE LYS A 106 9.533 -5.964 -19.187 1.00 13.42 C ATOM 1580 NZ LYS A 106 8.364 -6.787 -18.771 1.00 24.12 N1+ ATOM 0 H LYS A 106 7.942 -1.186 -22.003 1.00 24.41 H new ATOM 0 HA LYS A 106 10.217 -2.792 -21.901 1.00 72.51 H new ATOM 0 HB2 LYS A 106 7.627 -3.099 -21.250 1.00 13.33 H new ATOM 0 HB3 LYS A 106 7.581 -3.913 -22.801 1.00 13.33 H new ATOM 0 HG2 LYS A 106 8.074 -5.700 -21.440 1.00 33.41 H new ATOM 0 HG3 LYS A 106 9.700 -5.196 -21.857 1.00 33.41 H new ATOM 0 HD2 LYS A 106 9.894 -3.927 -19.762 1.00 30.24 H new ATOM 0 HD3 LYS A 106 8.224 -4.271 -19.360 1.00 30.24 H new ATOM 0 HE2 LYS A 106 10.158 -6.540 -19.869 1.00 13.42 H new ATOM 0 HE3 LYS A 106 10.143 -5.732 -18.314 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 8.699 -7.659 -18.314 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 7.780 -6.247 -18.100 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 7.795 -7.030 -19.607 1.00 24.12 H new ATOM 1594 N SER A 107 8.857 -2.548 -24.885 1.00 1.32 N ATOM 1595 CA SER A 107 9.075 -2.818 -26.301 1.00 32.25 C ATOM 1596 C SER A 107 10.397 -2.219 -26.772 1.00 64.51 C ATOM 1597 O SER A 107 10.949 -2.630 -27.793 1.00 35.32 O ATOM 1598 CB SER A 107 7.921 -2.255 -27.134 1.00 25.21 C ATOM 1599 OG SER A 107 6.669 -2.594 -26.566 1.00 60.12 O ATOM 0 H SER A 107 8.048 -1.959 -24.687 1.00 1.32 H new ATOM 0 HA SER A 107 9.117 -3.899 -26.436 1.00 32.25 H new ATOM 0 HB2 SER A 107 8.012 -1.171 -27.201 1.00 25.21 H new ATOM 0 HB3 SER A 107 7.979 -2.643 -28.151 1.00 25.21 H new ATOM 0 HG SER A 107 5.949 -2.221 -27.116 1.00 60.12 H new ATOM 1605 N PHE A 108 10.899 -1.245 -26.020 1.00 54.12 N ATOM 1606 CA PHE A 108 12.156 -0.588 -26.360 1.00 31.34 C ATOM 1607 C PHE A 108 13.341 -1.339 -25.760 1.00 52.43 C ATOM 1608 O PHE A 108 14.477 -0.868 -25.814 1.00 20.31 O ATOM 1609 CB PHE A 108 12.149 0.859 -25.863 1.00 33.33 C ATOM 1610 CG PHE A 108 11.557 1.828 -26.846 1.00 11.41 C ATOM 1611 CD1 PHE A 108 12.133 3.073 -27.045 1.00 41.10 C ATOM 1612 CD2 PHE A 108 10.424 1.494 -27.570 1.00 23.10 C ATOM 1613 CE1 PHE A 108 11.591 3.966 -27.949 1.00 64.01 C ATOM 1614 CE2 PHE A 108 9.878 2.384 -28.476 1.00 0.32 C ATOM 1615 CZ PHE A 108 10.461 3.622 -28.665 1.00 71.21 C ATOM 0 H PHE A 108 10.455 -0.893 -25.172 1.00 54.12 H new ATOM 0 HA PHE A 108 12.258 -0.592 -27.445 1.00 31.34 H new ATOM 0 HB2 PHE A 108 11.588 0.912 -24.930 1.00 33.33 H new ATOM 0 HB3 PHE A 108 13.171 1.162 -25.637 1.00 33.33 H new ATOM 0 HD1 PHE A 108 13.016 3.348 -26.487 1.00 41.10 H new ATOM 0 HD2 PHE A 108 9.963 0.528 -27.425 1.00 23.10 H new ATOM 0 HE1 PHE A 108 12.050 4.932 -28.096 1.00 64.01 H new ATOM 0 HE2 PHE A 108 8.996 2.111 -29.036 1.00 0.32 H new ATOM 0 HZ PHE A 108 10.034 4.319 -29.371 1.00 71.21 H new ATOM 1625 N GLU A 109 13.067 -2.508 -25.189 1.00 45.42 N ATOM 1626 CA GLU A 109 14.110 -3.321 -24.577 1.00 14.13 C ATOM 1627 C GLU A 109 15.184 -3.686 -25.599 1.00 53.04 C ATOM 1628 O GLU A 109 14.887 -4.245 -26.654 1.00 0.14 O ATOM 1629 CB GLU A 109 13.509 -4.594 -23.976 1.00 15.44 C ATOM 1630 CG GLU A 109 14.514 -5.442 -23.217 1.00 21.13 C ATOM 1631 CD GLU A 109 13.853 -6.504 -22.360 1.00 40.23 C ATOM 1632 OE1 GLU A 109 13.252 -7.437 -22.932 1.00 23.25 O ATOM 1633 OE2 GLU A 109 13.935 -6.401 -21.118 1.00 62.22 O1- ATOM 0 H GLU A 109 12.132 -2.912 -25.138 1.00 45.42 H new ATOM 0 HA GLU A 109 14.572 -2.736 -23.782 1.00 14.13 H new ATOM 0 HB2 GLU A 109 12.697 -4.319 -23.303 1.00 15.44 H new ATOM 0 HB3 GLU A 109 13.072 -5.192 -24.776 1.00 15.44 H new ATOM 0 HG2 GLU A 109 15.189 -5.921 -23.927 1.00 21.13 H new ATOM 0 HG3 GLU A 109 15.123 -4.797 -22.584 1.00 21.13 H new ATOM 1640 N ASN A 110 16.432 -3.366 -25.276 1.00 40.22 N ATOM 1641 CA ASN A 110 17.551 -3.658 -26.166 1.00 12.52 C ATOM 1642 C ASN A 110 17.376 -2.956 -27.508 1.00 14.11 C ATOM 1643 O ASN A 110 17.954 -3.366 -28.514 1.00 14.41 O ATOM 1644 CB ASN A 110 17.679 -5.168 -26.379 1.00 53.45 C ATOM 1645 CG ASN A 110 18.612 -5.818 -25.376 1.00 14.25 C ATOM 1646 OD1 ASN A 110 19.804 -5.512 -25.333 1.00 53.03 O ATOM 1647 ND2 ASN A 110 18.074 -6.719 -24.563 1.00 13.04 N ATOM 0 H ASN A 110 16.695 -2.905 -24.405 1.00 40.22 H new ATOM 0 HA ASN A 110 18.462 -3.285 -25.698 1.00 12.52 H new ATOM 0 HB2 ASN A 110 16.693 -5.627 -26.304 1.00 53.45 H new ATOM 0 HB3 ASN A 110 18.044 -5.360 -27.388 1.00 53.45 H new ATOM 0 HD21 ASN A 110 18.653 -7.189 -23.867 1.00 13.04 H new ATOM 0 HD22 ASN A 110 17.081 -6.942 -24.634 1.00 13.04 H new ATOM 1654 N ALA A 111 16.575 -1.897 -27.516 1.00 11.53 N ATOM 1655 CA ALA A 111 16.325 -1.136 -28.734 1.00 33.33 C ATOM 1656 C ALA A 111 17.602 -0.470 -29.236 1.00 12.12 C ATOM 1657 O ALA A 111 18.369 0.093 -28.455 1.00 32.25 O ATOM 1658 CB ALA A 111 15.243 -0.094 -28.493 1.00 12.32 C ATOM 0 H ALA A 111 16.087 -1.546 -26.692 1.00 11.53 H new ATOM 0 HA ALA A 111 15.981 -1.829 -29.502 1.00 33.33 H new ATOM 0 HB1 ALA A 111 15.067 0.467 -29.411 1.00 12.32 H new ATOM 0 HB2 ALA A 111 14.322 -0.590 -28.188 1.00 12.32 H new ATOM 0 HB3 ALA A 111 15.564 0.589 -27.707 1.00 12.32 H new ATOM 1664 N VAL A 112 17.824 -0.538 -30.545 1.00 73.01 N ATOM 1665 CA VAL A 112 19.008 0.059 -31.152 1.00 70.21 C ATOM 1666 C VAL A 112 18.688 1.421 -31.757 1.00 23.10 C ATOM 1667 O VAL A 112 17.885 1.527 -32.685 1.00 15.11 O ATOM 1668 CB VAL A 112 19.597 -0.851 -32.246 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.985 -0.374 -32.648 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.639 -2.295 -31.771 1.00 42.04 C ATOM 0 H VAL A 112 17.199 -1.001 -31.205 1.00 73.01 H new ATOM 0 HA VAL A 112 19.744 0.182 -30.357 1.00 70.21 H new ATOM 0 HB VAL A 112 18.952 -0.799 -33.123 1.00 32.45 H new ATOM 0 HG11 VAL A 112 21.385 -1.029 -33.422 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.923 0.644 -33.031 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.643 -0.395 -31.779 1.00 55.14 H new ATOM 0 HG21 VAL A 112 20.058 -2.924 -32.556 1.00 42.04 H new ATOM 0 HG22 VAL A 112 20.261 -2.366 -30.878 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.629 -2.631 -31.537 1.00 42.04 H new ATOM 1680 N PHE A 113 19.320 2.462 -31.225 1.00 22.12 N ATOM 1681 CA PHE A 113 19.103 3.819 -31.713 1.00 61.43 C ATOM 1682 C PHE A 113 20.331 4.333 -32.458 1.00 43.11 C ATOM 1683 O PHE A 113 21.268 4.853 -31.851 1.00 11.30 O ATOM 1684 CB PHE A 113 18.770 4.755 -30.549 1.00 14.33 C ATOM 1685 CG PHE A 113 17.630 4.272 -29.699 1.00 71.43 C ATOM 1686 CD1 PHE A 113 17.836 3.317 -28.717 1.00 12.52 C ATOM 1687 CD2 PHE A 113 16.352 4.773 -29.883 1.00 14.45 C ATOM 1688 CE1 PHE A 113 16.789 2.871 -27.933 1.00 3.02 C ATOM 1689 CE2 PHE A 113 15.300 4.331 -29.102 1.00 40.02 C ATOM 1690 CZ PHE A 113 15.519 3.379 -28.126 1.00 54.32 C ATOM 0 H PHE A 113 19.986 2.392 -30.456 1.00 22.12 H new ATOM 0 HA PHE A 113 18.262 3.798 -32.406 1.00 61.43 H new ATOM 0 HB2 PHE A 113 19.655 4.873 -29.923 1.00 14.33 H new ATOM 0 HB3 PHE A 113 18.526 5.741 -30.944 1.00 14.33 H new ATOM 0 HD1 PHE A 113 18.827 2.916 -28.562 1.00 12.52 H new ATOM 0 HD2 PHE A 113 16.175 5.517 -30.645 1.00 14.45 H new ATOM 0 HE1 PHE A 113 16.963 2.126 -27.170 1.00 3.02 H new ATOM 0 HE2 PHE A 113 14.308 4.730 -29.255 1.00 40.02 H new ATOM 0 HZ PHE A 113 14.699 3.032 -27.515 1.00 54.32 H new ATOM 1700 N THR A 114 20.321 4.182 -33.779 1.00 30.22 N ATOM 1701 CA THR A 114 21.434 4.629 -34.608 1.00 45.33 C ATOM 1702 C THR A 114 21.245 6.075 -35.050 1.00 52.03 C ATOM 1703 O THR A 114 20.181 6.451 -35.541 1.00 43.22 O ATOM 1704 CB THR A 114 21.596 3.740 -35.856 1.00 73.24 C ATOM 1705 OG1 THR A 114 22.013 2.426 -35.470 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.612 4.339 -36.817 1.00 73.44 C ATOM 0 H THR A 114 19.554 3.754 -34.298 1.00 30.22 H new ATOM 0 HA THR A 114 22.333 4.554 -33.997 1.00 45.33 H new ATOM 0 HB THR A 114 20.632 3.680 -36.362 1.00 73.24 H new ATOM 0 HG1 THR A 114 22.112 1.866 -36.268 1.00 32.32 H new ATOM 0 HG21 THR A 114 22.710 3.695 -37.691 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.277 5.328 -37.131 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.578 4.424 -36.319 1.00 73.44 H new ATOM 1714 N VAL A 115 22.285 6.884 -34.872 1.00 21.22 N ATOM 1715 CA VAL A 115 22.233 8.290 -35.253 1.00 72.13 C ATOM 1716 C VAL A 115 23.013 8.539 -36.539 1.00 32.00 C ATOM 1717 O VAL A 115 24.144 8.082 -36.707 1.00 71.13 O ATOM 1718 CB VAL A 115 22.796 9.195 -34.141 1.00 34.51 C ATOM 1719 CG1 VAL A 115 22.706 10.658 -34.546 1.00 32.02 C ATOM 1720 CG2 VAL A 115 22.061 8.949 -32.832 1.00 0.35 C ATOM 0 H VAL A 115 23.173 6.589 -34.466 1.00 21.22 H new ATOM 0 HA VAL A 115 21.183 8.536 -35.414 1.00 72.13 H new ATOM 0 HB VAL A 115 23.847 8.949 -33.993 1.00 34.51 H new ATOM 0 HG11 VAL A 115 23.108 11.282 -33.748 1.00 32.02 H new ATOM 0 HG12 VAL A 115 23.281 10.819 -35.458 1.00 32.02 H new ATOM 0 HG13 VAL A 115 21.664 10.923 -34.723 1.00 32.02 H new ATOM 0 HG21 VAL A 115 22.471 9.596 -32.057 1.00 0.35 H new ATOM 0 HG22 VAL A 115 21.001 9.167 -32.963 1.00 0.35 H new ATOM 0 HG23 VAL A 115 22.183 7.907 -32.536 1.00 0.35 H new ATOM 1730 N PRO A 116 22.398 9.283 -37.470 1.00 23.44 N ATOM 1731 CA PRO A 116 23.017 9.610 -38.758 1.00 12.20 C ATOM 1732 C PRO A 116 24.182 10.584 -38.610 1.00 62.14 C ATOM 1733 O PRO A 116 25.216 10.433 -39.262 1.00 15.32 O ATOM 1734 CB PRO A 116 21.875 10.257 -39.546 1.00 2.12 C ATOM 1735 CG PRO A 116 20.959 10.803 -38.506 1.00 24.01 C ATOM 1736 CD PRO A 116 21.050 9.860 -37.338 1.00 65.44 C ATOM 0 HA PRO A 116 23.442 8.730 -39.242 1.00 12.20 H new ATOM 0 HB2 PRO A 116 22.244 11.045 -40.202 1.00 2.12 H new ATOM 0 HB3 PRO A 116 21.367 9.528 -40.178 1.00 2.12 H new ATOM 0 HG2 PRO A 116 21.254 11.812 -38.217 1.00 24.01 H new ATOM 0 HG3 PRO A 116 19.937 10.864 -38.879 1.00 24.01 H new ATOM 0 HD2 PRO A 116 20.928 10.382 -36.389 1.00 65.44 H new ATOM 0 HD3 PRO A 116 20.278 9.092 -37.381 1.00 65.44 H new ATOM 1744 N ARG A 117 24.007 11.583 -37.750 1.00 4.04 N ATOM 1745 CA ARG A 117 25.042 12.581 -37.519 1.00 23.33 C ATOM 1746 C ARG A 117 25.076 12.999 -36.051 1.00 72.14 C ATOM 1747 O ARG A 117 24.032 13.179 -35.423 1.00 53.20 O ATOM 1748 CB ARG A 117 24.808 13.806 -38.404 1.00 24.40 C ATOM 1749 CG ARG A 117 23.421 14.411 -38.253 1.00 3.30 C ATOM 1750 CD ARG A 117 22.479 13.921 -39.342 1.00 34.14 C ATOM 1751 NE ARG A 117 22.547 14.754 -40.539 1.00 31.52 N ATOM 1752 CZ ARG A 117 22.061 14.386 -41.719 1.00 33.23 C ATOM 1753 NH1 ARG A 117 21.473 13.206 -41.859 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 22.161 15.199 -42.762 1.00 55.12 N ATOM 0 H ARG A 117 23.158 11.721 -37.202 1.00 4.04 H new ATOM 0 HA ARG A 117 26.003 12.136 -37.775 1.00 23.33 H new ATOM 0 HB2 ARG A 117 25.554 14.564 -38.165 1.00 24.40 H new ATOM 0 HB3 ARG A 117 24.961 13.525 -39.446 1.00 24.40 H new ATOM 0 HG2 ARG A 117 23.014 14.153 -37.275 1.00 3.30 H new ATOM 0 HG3 ARG A 117 23.491 15.498 -38.292 1.00 3.30 H new ATOM 0 HD2 ARG A 117 22.729 12.892 -39.602 1.00 34.14 H new ATOM 0 HD3 ARG A 117 21.457 13.915 -38.962 1.00 34.14 H new ATOM 0 HE ARG A 117 22.992 15.669 -40.465 1.00 31.52 H new ATOM 0 HH11 ARG A 117 21.393 12.578 -41.059 1.00 32.32 H new ATOM 0 HH12 ARG A 117 21.101 12.926 -42.766 1.00 32.32 H new ATOM 0 HH21 ARG A 117 22.612 16.108 -42.659 1.00 55.12 H new ATOM 0 HH22 ARG A 117 21.787 14.915 -43.668 1.00 55.12 H new