USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=16 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 180:sc= 0.576 USER MOD Set 1.2: A 100 CYS SG : rot -14:sc= 0.869 USER MOD Set 2.1: A 64 HIS : no HE2:sc= -0.644 K(o=0.35,f=-4.3) USER MOD Set 2.2: A 96 SER OG : rot -120:sc= 0.999 USER MOD Single : A 17 GLN : amide:sc= 0.212 K(o=0.21,f=-3!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -80:sc= 2.07 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= -0.324 USER MOD Single : A 37 SER OG : rot -72:sc= 1.56 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0451 USER MOD Single : A 44 HIS : no HE2:sc= -0.0431 K(o=-0.043,f=-0.71) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.7 K(o=-2.7,f=-13!) USER MOD Single : A 72 TYR OH : rot -94:sc= -0.15 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.132 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 101 GLN : amide:sc= -3.97! C(o=-4!,f=-7.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0984 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 114 THR OG1 : rot 170:sc= -0.741 USER MOD ----------------------------------------------------------------- ATOM 153 N ARG A 13 0.131 6.113 -19.862 1.00 62.40 N ATOM 154 CA ARG A 13 1.154 6.294 -18.839 1.00 13.43 C ATOM 155 C ARG A 13 2.398 5.473 -19.162 1.00 51.13 C ATOM 156 O ARG A 13 2.306 4.286 -19.478 1.00 65.25 O ATOM 157 CB ARG A 13 0.609 5.894 -17.465 1.00 71.33 C ATOM 158 CG ARG A 13 1.548 6.227 -16.318 1.00 64.41 C ATOM 159 CD ARG A 13 1.294 5.333 -15.114 1.00 64.44 C ATOM 160 NE ARG A 13 2.332 5.477 -14.096 1.00 53.53 N ATOM 161 CZ ARG A 13 2.280 4.892 -12.906 1.00 72.45 C ATOM 162 NH1 ARG A 13 1.246 4.127 -12.584 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 3.264 5.071 -12.033 1.00 74.21 N ATOM 0 HA ARG A 13 1.430 7.348 -18.821 1.00 13.43 H new ATOM 0 HB2 ARG A 13 -0.344 6.397 -17.301 1.00 71.33 H new ATOM 0 HB3 ARG A 13 0.409 4.823 -17.461 1.00 71.33 H new ATOM 0 HG2 ARG A 13 2.581 6.112 -16.647 1.00 64.41 H new ATOM 0 HG3 ARG A 13 1.419 7.271 -16.032 1.00 64.41 H new ATOM 0 HD2 ARG A 13 0.324 5.577 -14.680 1.00 64.44 H new ATOM 0 HD3 ARG A 13 1.246 4.293 -15.438 1.00 64.44 H new ATOM 0 HE ARG A 13 3.141 6.059 -14.312 1.00 53.53 H new ATOM 0 HH11 ARG A 13 0.488 3.987 -13.252 1.00 1.02 H new ATOM 0 HH12 ARG A 13 1.209 3.679 -11.669 1.00 1.02 H new ATOM 0 HH21 ARG A 13 4.061 5.659 -12.277 1.00 74.21 H new ATOM 0 HH22 ARG A 13 3.223 4.621 -11.119 1.00 74.21 H new ATOM 177 N ILE A 14 3.560 6.112 -19.082 1.00 31.23 N ATOM 178 CA ILE A 14 4.823 5.441 -19.365 1.00 21.45 C ATOM 179 C ILE A 14 5.020 4.234 -18.455 1.00 33.43 C ATOM 180 O ILE A 14 4.977 4.336 -17.229 1.00 4.22 O ATOM 181 CB ILE A 14 6.019 6.397 -19.198 1.00 63.41 C ATOM 182 CG1 ILE A 14 5.884 7.588 -20.149 1.00 40.21 C ATOM 183 CG2 ILE A 14 7.325 5.658 -19.447 1.00 71.10 C ATOM 184 CD1 ILE A 14 5.936 7.204 -21.611 1.00 72.40 C ATOM 0 H ILE A 14 3.653 7.094 -18.823 1.00 31.23 H new ATOM 0 HA ILE A 14 4.778 5.108 -20.402 1.00 21.45 H new ATOM 0 HB ILE A 14 6.026 6.773 -18.175 1.00 63.41 H new ATOM 0 HG12 ILE A 14 4.941 8.097 -19.949 1.00 40.21 H new ATOM 0 HG13 ILE A 14 6.682 8.301 -19.941 1.00 40.21 H new ATOM 0 HG21 ILE A 14 8.161 6.346 -19.325 1.00 71.10 H new ATOM 0 HG22 ILE A 14 7.422 4.840 -18.733 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.329 5.258 -20.461 1.00 71.10 H new ATOM 0 HD11 ILE A 14 5.834 8.098 -22.226 1.00 72.40 H new ATOM 0 HD12 ILE A 14 6.889 6.722 -21.827 1.00 72.40 H new ATOM 0 HD13 ILE A 14 5.122 6.515 -21.835 1.00 72.40 H new ATOM 196 N PRO A 15 5.243 3.062 -19.068 1.00 52.44 N ATOM 197 CA PRO A 15 5.455 1.812 -18.332 1.00 71.33 C ATOM 198 C PRO A 15 6.788 1.792 -17.593 1.00 44.54 C ATOM 199 O PRO A 15 7.468 2.813 -17.493 1.00 21.35 O ATOM 200 CB PRO A 15 5.436 0.746 -19.431 1.00 32.33 C ATOM 201 CG PRO A 15 5.845 1.469 -20.667 1.00 35.51 C ATOM 202 CD PRO A 15 5.308 2.867 -20.526 1.00 52.11 C ATOM 0 HA PRO A 15 4.701 1.661 -17.560 1.00 71.33 H new ATOM 0 HB2 PRO A 15 6.123 -0.069 -19.204 1.00 32.33 H new ATOM 0 HB3 PRO A 15 4.444 0.307 -19.539 1.00 32.33 H new ATOM 0 HG2 PRO A 15 6.930 1.477 -20.774 1.00 35.51 H new ATOM 0 HG3 PRO A 15 5.441 0.983 -21.555 1.00 35.51 H new ATOM 0 HD2 PRO A 15 5.962 3.598 -21.000 1.00 52.11 H new ATOM 0 HD3 PRO A 15 4.327 2.969 -20.989 1.00 52.11 H new ATOM 210 N GLU A 16 7.157 0.623 -17.078 1.00 24.10 N ATOM 211 CA GLU A 16 8.411 0.473 -16.348 1.00 63.23 C ATOM 212 C GLU A 16 9.581 1.033 -17.153 1.00 23.52 C ATOM 213 O GLU A 16 9.506 1.148 -18.377 1.00 3.13 O ATOM 214 CB GLU A 16 8.663 -1.000 -16.022 1.00 12.45 C ATOM 215 CG GLU A 16 7.590 -1.621 -15.142 1.00 54.23 C ATOM 216 CD GLU A 16 7.659 -3.135 -15.118 1.00 62.22 C ATOM 217 OE1 GLU A 16 7.432 -3.722 -14.039 1.00 73.31 O ATOM 218 OE2 GLU A 16 7.941 -3.734 -16.177 1.00 11.13 O1- ATOM 0 H GLU A 16 6.607 -0.233 -17.153 1.00 24.10 H new ATOM 0 HA GLU A 16 8.329 1.036 -15.418 1.00 63.23 H new ATOM 0 HB2 GLU A 16 8.729 -1.563 -16.953 1.00 12.45 H new ATOM 0 HB3 GLU A 16 9.628 -1.093 -15.524 1.00 12.45 H new ATOM 0 HG2 GLU A 16 7.694 -1.240 -14.126 1.00 54.23 H new ATOM 0 HG3 GLU A 16 6.608 -1.311 -15.500 1.00 54.23 H new ATOM 225 N GLN A 17 10.657 1.382 -16.457 1.00 15.32 N ATOM 226 CA GLN A 17 11.841 1.931 -17.107 1.00 43.30 C ATOM 227 C GLN A 17 12.662 0.829 -17.767 1.00 14.04 C ATOM 228 O GLN A 17 12.872 -0.236 -17.183 1.00 32.12 O ATOM 229 CB GLN A 17 12.702 2.685 -16.091 1.00 2.54 C ATOM 230 CG GLN A 17 11.893 3.408 -15.026 1.00 15.05 C ATOM 231 CD GLN A 17 11.851 2.651 -13.713 1.00 5.52 C ATOM 232 OE1 GLN A 17 10.994 1.791 -13.506 1.00 25.01 O ATOM 233 NE2 GLN A 17 12.778 2.969 -12.817 1.00 30.14 N ATOM 0 H GLN A 17 10.734 1.295 -15.444 1.00 15.32 H new ATOM 0 HA GLN A 17 11.511 2.624 -17.880 1.00 43.30 H new ATOM 0 HB2 GLN A 17 13.378 1.981 -15.606 1.00 2.54 H new ATOM 0 HB3 GLN A 17 13.322 3.410 -16.619 1.00 2.54 H new ATOM 0 HG2 GLN A 17 12.321 4.396 -14.858 1.00 15.05 H new ATOM 0 HG3 GLN A 17 10.876 3.559 -15.387 1.00 15.05 H new ATOM 0 HE21 GLN A 17 13.469 3.688 -13.031 1.00 30.14 H new ATOM 0 HE22 GLN A 17 12.799 2.494 -11.915 1.00 30.14 H new ATOM 242 N ILE A 18 13.123 1.089 -18.985 1.00 24.21 N ATOM 243 CA ILE A 18 13.920 0.119 -19.724 1.00 45.03 C ATOM 244 C ILE A 18 15.255 0.718 -20.155 1.00 53.13 C ATOM 245 O ILE A 18 15.521 1.898 -19.924 1.00 34.14 O ATOM 246 CB ILE A 18 13.173 -0.392 -20.970 1.00 12.34 C ATOM 247 CG1 ILE A 18 12.844 0.772 -21.907 1.00 64.44 C ATOM 248 CG2 ILE A 18 11.906 -1.128 -20.564 1.00 30.13 C ATOM 249 CD1 ILE A 18 13.845 0.949 -23.026 1.00 51.52 C ATOM 0 H ILE A 18 12.958 1.965 -19.482 1.00 24.21 H new ATOM 0 HA ILE A 18 14.101 -0.719 -19.050 1.00 45.03 H new ATOM 0 HB ILE A 18 13.819 -1.090 -21.502 1.00 12.34 H new ATOM 0 HG12 ILE A 18 11.855 0.613 -22.337 1.00 64.44 H new ATOM 0 HG13 ILE A 18 12.795 1.693 -21.326 1.00 64.44 H new ATOM 0 HG21 ILE A 18 11.390 -1.483 -21.456 1.00 30.13 H new ATOM 0 HG22 ILE A 18 12.165 -1.978 -19.933 1.00 30.13 H new ATOM 0 HG23 ILE A 18 11.253 -0.452 -20.012 1.00 30.13 H new ATOM 0 HD11 ILE A 18 13.548 1.792 -23.650 1.00 51.52 H new ATOM 0 HD12 ILE A 18 14.832 1.140 -22.605 1.00 51.52 H new ATOM 0 HD13 ILE A 18 13.878 0.043 -23.631 1.00 51.52 H new ATOM 261 N ARG A 19 16.090 -0.103 -20.784 1.00 71.23 N ATOM 262 CA ARG A 19 17.398 0.347 -21.248 1.00 75.34 C ATOM 263 C ARG A 19 17.525 0.178 -22.759 1.00 62.41 C ATOM 264 O ARG A 19 17.127 -0.846 -23.315 1.00 51.13 O ATOM 265 CB ARG A 19 18.508 -0.432 -20.541 1.00 70.32 C ATOM 266 CG ARG A 19 19.893 -0.168 -21.110 1.00 12.13 C ATOM 267 CD ARG A 19 20.953 -0.994 -20.398 1.00 72.31 C ATOM 268 NE ARG A 19 21.129 -2.307 -21.013 1.00 22.42 N ATOM 269 CZ ARG A 19 21.830 -3.291 -20.459 1.00 11.21 C ATOM 270 NH1 ARG A 19 22.418 -3.110 -19.285 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 21.943 -4.458 -21.081 1.00 23.13 N ATOM 0 H ARG A 19 15.885 -1.082 -20.984 1.00 71.23 H new ATOM 0 HA ARG A 19 17.498 1.406 -21.009 1.00 75.34 H new ATOM 0 HB2 ARG A 19 18.504 -0.174 -19.482 1.00 70.32 H new ATOM 0 HB3 ARG A 19 18.293 -1.498 -20.610 1.00 70.32 H new ATOM 0 HG2 ARG A 19 19.901 -0.403 -22.174 1.00 12.13 H new ATOM 0 HG3 ARG A 19 20.131 0.891 -21.015 1.00 12.13 H new ATOM 0 HD2 ARG A 19 21.901 -0.457 -20.413 1.00 72.31 H new ATOM 0 HD3 ARG A 19 20.673 -1.118 -19.352 1.00 72.31 H new ATOM 0 HE ARG A 19 20.690 -2.478 -21.918 1.00 22.42 H new ATOM 0 HH11 ARG A 19 22.333 -2.214 -18.805 1.00 43.31 H new ATOM 0 HH12 ARG A 19 22.955 -3.867 -18.862 1.00 43.31 H new ATOM 0 HH21 ARG A 19 21.492 -4.600 -21.985 1.00 23.13 H new ATOM 0 HH22 ARG A 19 22.481 -5.213 -20.655 1.00 23.13 H new ATOM 285 N ILE A 20 18.082 1.189 -23.416 1.00 35.55 N ATOM 286 CA ILE A 20 18.263 1.151 -24.862 1.00 64.45 C ATOM 287 C ILE A 20 19.742 1.171 -25.233 1.00 32.03 C ATOM 288 O ILE A 20 20.602 1.414 -24.386 1.00 53.21 O ATOM 289 CB ILE A 20 17.558 2.337 -25.548 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.051 3.661 -24.961 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.049 2.214 -25.398 1.00 21.23 C ATOM 292 CD1 ILE A 20 17.865 4.840 -25.891 1.00 21.13 C ATOM 0 H ILE A 20 18.416 2.044 -22.971 1.00 35.55 H new ATOM 0 HA ILE A 20 17.816 0.220 -25.211 1.00 64.45 H new ATOM 0 HB ILE A 20 17.801 2.320 -26.610 1.00 75.13 H new ATOM 0 HG12 ILE A 20 17.520 3.856 -24.029 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.108 3.568 -24.712 1.00 15.54 H new ATOM 0 HG21 ILE A 20 15.565 3.059 -25.888 1.00 21.23 H new ATOM 0 HG22 ILE A 20 15.712 1.286 -25.859 1.00 21.23 H new ATOM 0 HG23 ILE A 20 15.788 2.209 -24.340 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.236 5.745 -25.410 1.00 21.13 H new ATOM 0 HD12 ILE A 20 18.418 4.666 -26.814 1.00 21.13 H new ATOM 0 HD13 ILE A 20 16.806 4.959 -26.120 1.00 21.13 H new ATOM 304 N PHE A 21 20.032 0.917 -26.505 1.00 73.53 N ATOM 305 CA PHE A 21 21.408 0.906 -26.988 1.00 64.54 C ATOM 306 C PHE A 21 21.616 1.974 -28.059 1.00 32.43 C ATOM 307 O PHE A 21 20.883 2.030 -29.046 1.00 22.23 O ATOM 308 CB PHE A 21 21.763 -0.471 -27.549 1.00 22.21 C ATOM 309 CG PHE A 21 22.642 -1.281 -26.639 1.00 75.22 C ATOM 310 CD1 PHE A 21 23.961 -0.917 -26.426 1.00 21.22 C ATOM 311 CD2 PHE A 21 22.149 -2.408 -26.001 1.00 14.32 C ATOM 312 CE1 PHE A 21 24.774 -1.659 -25.588 1.00 63.25 C ATOM 313 CE2 PHE A 21 22.957 -3.153 -25.163 1.00 44.12 C ATOM 314 CZ PHE A 21 24.271 -2.780 -24.957 1.00 20.14 C ATOM 0 H PHE A 21 19.333 0.716 -27.220 1.00 73.53 H new ATOM 0 HA PHE A 21 22.064 1.127 -26.146 1.00 64.54 H new ATOM 0 HB2 PHE A 21 20.844 -1.025 -27.740 1.00 22.21 H new ATOM 0 HB3 PHE A 21 22.265 -0.345 -28.508 1.00 22.21 H new ATOM 0 HD1 PHE A 21 24.360 -0.043 -26.920 1.00 21.22 H new ATOM 0 HD2 PHE A 21 21.124 -2.707 -26.160 1.00 14.32 H new ATOM 0 HE1 PHE A 21 25.800 -1.362 -25.427 1.00 63.25 H new ATOM 0 HE2 PHE A 21 22.561 -4.028 -24.669 1.00 44.12 H new ATOM 0 HZ PHE A 21 24.903 -3.363 -24.304 1.00 20.14 H new ATOM 324 N PHE A 22 22.621 2.819 -27.856 1.00 34.14 N ATOM 325 CA PHE A 22 22.926 3.886 -28.801 1.00 71.33 C ATOM 326 C PHE A 22 24.037 3.462 -29.760 1.00 24.13 C ATOM 327 O PHE A 22 25.213 3.448 -29.397 1.00 42.03 O ATOM 328 CB PHE A 22 23.338 5.156 -28.055 1.00 34.11 C ATOM 329 CG PHE A 22 22.208 6.124 -27.852 1.00 21.32 C ATOM 330 CD1 PHE A 22 21.892 6.587 -26.585 1.00 55.45 C ATOM 331 CD2 PHE A 22 21.461 6.573 -28.930 1.00 11.41 C ATOM 332 CE1 PHE A 22 20.854 7.478 -26.395 1.00 43.04 C ATOM 333 CE2 PHE A 22 20.421 7.465 -28.746 1.00 34.04 C ATOM 334 CZ PHE A 22 20.117 7.918 -27.476 1.00 31.31 C ATOM 0 H PHE A 22 23.238 2.785 -27.045 1.00 34.14 H new ATOM 0 HA PHE A 22 22.027 4.091 -29.382 1.00 71.33 H new ATOM 0 HB2 PHE A 22 23.749 4.880 -27.084 1.00 34.11 H new ATOM 0 HB3 PHE A 22 24.135 5.651 -28.609 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.465 6.247 -25.735 1.00 55.45 H new ATOM 0 HD2 PHE A 22 21.694 6.222 -29.924 1.00 11.41 H new ATOM 0 HE1 PHE A 22 20.619 7.830 -25.401 1.00 43.04 H new ATOM 0 HE2 PHE A 22 19.846 7.808 -29.594 1.00 34.04 H new ATOM 0 HZ PHE A 22 19.305 8.615 -27.330 1.00 31.31 H new ATOM 344 N LYS A 23 23.653 3.118 -30.983 1.00 30.42 N ATOM 345 CA LYS A 23 24.614 2.694 -31.995 1.00 1.30 C ATOM 346 C LYS A 23 25.094 3.883 -32.822 1.00 12.33 C ATOM 347 O LYS A 23 24.293 4.592 -33.431 1.00 50.24 O ATOM 348 CB LYS A 23 23.989 1.641 -32.913 1.00 51.30 C ATOM 349 CG LYS A 23 25.005 0.710 -33.552 1.00 73.32 C ATOM 350 CD LYS A 23 25.500 1.254 -34.882 1.00 53.34 C ATOM 351 CE LYS A 23 25.130 0.330 -36.033 1.00 11.44 C ATOM 352 NZ LYS A 23 26.157 0.351 -37.112 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.683 3.124 -31.299 1.00 30.42 H new ATOM 0 HA LYS A 23 25.473 2.258 -31.484 1.00 1.30 H new ATOM 0 HB2 LYS A 23 23.276 1.048 -32.340 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.426 2.145 -33.699 1.00 51.30 H new ATOM 0 HG2 LYS A 23 25.850 0.573 -32.877 1.00 73.32 H new ATOM 0 HG3 LYS A 23 24.556 -0.271 -33.704 1.00 73.32 H new ATOM 0 HD2 LYS A 23 25.072 2.242 -35.055 1.00 53.34 H new ATOM 0 HD3 LYS A 23 26.582 1.377 -34.846 1.00 53.34 H new ATOM 0 HE2 LYS A 23 25.016 -0.688 -35.660 1.00 11.44 H new ATOM 0 HE3 LYS A 23 24.166 0.629 -36.443 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 25.869 -0.291 -37.878 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 26.248 1.317 -37.486 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 27.072 0.041 -36.727 1.00 75.34 H new ATOM 366 N THR A 24 26.406 4.096 -32.838 1.00 1.24 N ATOM 367 CA THR A 24 26.992 5.199 -33.590 1.00 41.43 C ATOM 368 C THR A 24 27.842 4.685 -34.747 1.00 55.05 C ATOM 369 O THR A 24 27.940 3.479 -34.970 1.00 23.40 O ATOM 370 CB THR A 24 27.862 6.094 -32.687 1.00 24.11 C ATOM 371 OG1 THR A 24 29.095 5.433 -32.384 1.00 65.51 O ATOM 372 CG2 THR A 24 27.131 6.433 -31.396 1.00 50.11 C ATOM 0 H THR A 24 27.083 3.519 -32.339 1.00 1.24 H new ATOM 0 HA THR A 24 26.164 5.788 -33.984 1.00 41.43 H new ATOM 0 HB THR A 24 28.070 7.020 -33.222 1.00 24.11 H new ATOM 0 HG1 THR A 24 28.950 4.784 -31.664 1.00 65.51 H new ATOM 0 HG21 THR A 24 27.765 7.066 -30.774 1.00 50.11 H new ATOM 0 HG22 THR A 24 26.207 6.962 -31.629 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.897 5.514 -30.858 1.00 50.11 H new ATOM 380 N MET A 25 28.457 5.609 -35.478 1.00 73.10 N ATOM 381 CA MET A 25 29.301 5.248 -36.612 1.00 52.45 C ATOM 382 C MET A 25 30.646 4.708 -36.138 1.00 2.30 C ATOM 383 O MET A 25 31.443 4.211 -36.933 1.00 33.11 O ATOM 384 CB MET A 25 29.515 6.459 -37.522 1.00 30.23 C ATOM 385 CG MET A 25 30.062 6.100 -38.893 1.00 63.33 C ATOM 386 SD MET A 25 29.313 7.071 -40.215 1.00 45.42 S ATOM 387 CE MET A 25 27.994 5.976 -40.734 1.00 4.22 C ATOM 0 H MET A 25 28.387 6.612 -35.306 1.00 73.10 H new ATOM 0 HA MET A 25 28.794 4.465 -37.176 1.00 52.45 H new ATOM 0 HB2 MET A 25 28.567 6.983 -37.644 1.00 30.23 H new ATOM 0 HB3 MET A 25 30.202 7.152 -37.036 1.00 30.23 H new ATOM 0 HG2 MET A 25 31.141 6.254 -38.901 1.00 63.33 H new ATOM 0 HG3 MET A 25 29.889 5.041 -39.083 1.00 63.33 H new ATOM 0 HE1 MET A 25 27.437 6.438 -41.549 1.00 4.22 H new ATOM 0 HE2 MET A 25 28.418 5.031 -41.074 1.00 4.22 H new ATOM 0 HE3 MET A 25 27.323 5.792 -39.895 1.00 4.22 H new ATOM 397 N LYS A 26 30.895 4.810 -34.836 1.00 24.12 N ATOM 398 CA LYS A 26 32.143 4.332 -34.254 1.00 45.31 C ATOM 399 C LYS A 26 31.911 3.069 -33.432 1.00 52.32 C ATOM 400 O LYS A 26 32.736 2.156 -33.435 1.00 42.42 O ATOM 401 CB LYS A 26 32.769 5.418 -33.377 1.00 13.34 C ATOM 402 CG LYS A 26 33.507 6.486 -34.165 1.00 61.12 C ATOM 403 CD LYS A 26 34.977 6.140 -34.333 1.00 13.14 C ATOM 404 CE LYS A 26 35.781 6.505 -33.095 1.00 42.23 C ATOM 405 NZ LYS A 26 37.179 5.999 -33.173 1.00 4.53 N1+ ATOM 0 H LYS A 26 30.247 5.220 -34.163 1.00 24.12 H new ATOM 0 HA LYS A 26 32.827 4.093 -35.068 1.00 45.31 H new ATOM 0 HB2 LYS A 26 31.986 5.891 -32.785 1.00 13.34 H new ATOM 0 HB3 LYS A 26 33.461 4.952 -32.676 1.00 13.34 H new ATOM 0 HG2 LYS A 26 33.045 6.600 -35.146 1.00 61.12 H new ATOM 0 HG3 LYS A 26 33.414 7.445 -33.655 1.00 61.12 H new ATOM 0 HD2 LYS A 26 35.080 5.074 -34.534 1.00 13.14 H new ATOM 0 HD3 LYS A 26 35.379 6.667 -35.198 1.00 13.14 H new ATOM 0 HE2 LYS A 26 35.793 7.588 -32.976 1.00 42.23 H new ATOM 0 HE3 LYS A 26 35.294 6.093 -32.211 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 37.694 6.268 -32.311 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 37.169 4.963 -33.261 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 37.652 6.412 -34.002 1.00 4.53 H new ATOM 419 N GLN A 27 30.784 3.025 -32.729 1.00 23.51 N ATOM 420 CA GLN A 27 30.444 1.872 -31.902 1.00 54.41 C ATOM 421 C GLN A 27 29.106 2.080 -31.201 1.00 32.12 C ATOM 422 O GLN A 27 28.494 3.143 -31.311 1.00 31.42 O ATOM 423 CB GLN A 27 31.542 1.620 -30.867 1.00 35.15 C ATOM 424 CG GLN A 27 31.997 2.877 -30.143 1.00 31.13 C ATOM 425 CD GLN A 27 32.981 2.584 -29.029 1.00 41.01 C ATOM 426 OE1 GLN A 27 33.705 1.590 -29.069 1.00 14.54 O ATOM 427 NE2 GLN A 27 33.013 3.452 -28.024 1.00 44.23 N ATOM 0 H GLN A 27 30.091 3.773 -32.715 1.00 23.51 H new ATOM 0 HA GLN A 27 30.360 1.002 -32.553 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.180 0.900 -30.134 1.00 35.15 H new ATOM 0 HB3 GLN A 27 32.400 1.166 -31.363 1.00 35.15 H new ATOM 0 HG2 GLN A 27 32.457 3.558 -30.859 1.00 31.13 H new ATOM 0 HG3 GLN A 27 31.128 3.389 -29.730 1.00 31.13 H new ATOM 0 HE21 GLN A 27 32.395 4.263 -28.031 1.00 44.23 H new ATOM 0 HE22 GLN A 27 33.656 3.307 -27.245 1.00 44.23 H new ATOM 436 N VAL A 28 28.656 1.058 -30.480 1.00 3.05 N ATOM 437 CA VAL A 28 27.390 1.129 -29.760 1.00 24.14 C ATOM 438 C VAL A 28 27.619 1.217 -28.255 1.00 72.01 C ATOM 439 O VAL A 28 28.404 0.456 -27.691 1.00 14.41 O ATOM 440 CB VAL A 28 26.502 -0.092 -30.064 1.00 50.21 C ATOM 441 CG1 VAL A 28 27.150 -1.366 -29.544 1.00 4.54 C ATOM 442 CG2 VAL A 28 25.117 0.095 -29.464 1.00 44.43 C ATOM 0 H VAL A 28 29.149 0.171 -30.379 1.00 3.05 H new ATOM 0 HA VAL A 28 26.882 2.031 -30.100 1.00 24.14 H new ATOM 0 HB VAL A 28 26.395 -0.182 -31.145 1.00 50.21 H new ATOM 0 HG11 VAL A 28 26.508 -2.218 -29.768 1.00 4.54 H new ATOM 0 HG12 VAL A 28 28.118 -1.504 -30.025 1.00 4.54 H new ATOM 0 HG13 VAL A 28 27.289 -1.290 -28.466 1.00 4.54 H new ATOM 0 HG21 VAL A 28 24.503 -0.777 -29.688 1.00 44.43 H new ATOM 0 HG22 VAL A 28 25.201 0.211 -28.384 1.00 44.43 H new ATOM 0 HG23 VAL A 28 24.653 0.985 -29.890 1.00 44.43 H new ATOM 452 N VAL A 29 26.925 2.149 -27.610 1.00 62.35 N ATOM 453 CA VAL A 29 27.049 2.336 -26.170 1.00 73.41 C ATOM 454 C VAL A 29 25.699 2.190 -25.478 1.00 41.43 C ATOM 455 O VAL A 29 24.647 2.466 -26.052 1.00 63.42 O ATOM 456 CB VAL A 29 27.641 3.717 -25.831 1.00 24.34 C ATOM 457 CG1 VAL A 29 29.157 3.693 -25.954 1.00 32.35 C ATOM 458 CG2 VAL A 29 27.042 4.787 -26.731 1.00 63.42 C ATOM 0 H VAL A 29 26.270 2.787 -28.063 1.00 62.35 H new ATOM 0 HA VAL A 29 27.725 1.561 -25.808 1.00 73.41 H new ATOM 0 HB VAL A 29 27.388 3.959 -24.799 1.00 24.34 H new ATOM 0 HG11 VAL A 29 29.557 4.677 -25.711 1.00 32.35 H new ATOM 0 HG12 VAL A 29 29.566 2.954 -25.265 1.00 32.35 H new ATOM 0 HG13 VAL A 29 29.435 3.430 -26.975 1.00 32.35 H new ATOM 0 HG21 VAL A 29 27.471 5.757 -26.478 1.00 63.42 H new ATOM 0 HG22 VAL A 29 27.263 4.552 -27.772 1.00 63.42 H new ATOM 0 HG23 VAL A 29 25.962 4.820 -26.588 1.00 63.42 H new ATOM 468 N PRO A 30 25.728 1.746 -24.213 1.00 73.00 N ATOM 469 CA PRO A 30 24.514 1.554 -23.413 1.00 3.14 C ATOM 470 C PRO A 30 23.853 2.876 -23.038 1.00 71.14 C ATOM 471 O PRO A 30 24.529 3.885 -22.838 1.00 11.03 O ATOM 472 CB PRO A 30 25.024 0.837 -22.161 1.00 20.11 C ATOM 473 CG PRO A 30 26.455 1.234 -22.052 1.00 44.03 C ATOM 474 CD PRO A 30 26.947 1.397 -23.464 1.00 41.22 C ATOM 0 HA PRO A 30 23.750 0.998 -23.957 1.00 3.14 H new ATOM 0 HB2 PRO A 30 24.462 1.137 -21.277 1.00 20.11 H new ATOM 0 HB3 PRO A 30 24.919 -0.244 -22.254 1.00 20.11 H new ATOM 0 HG2 PRO A 30 26.561 2.163 -21.492 1.00 44.03 H new ATOM 0 HG3 PRO A 30 27.031 0.475 -21.523 1.00 44.03 H new ATOM 0 HD2 PRO A 30 27.702 2.180 -23.538 1.00 41.22 H new ATOM 0 HD3 PRO A 30 27.401 0.480 -23.840 1.00 41.22 H new ATOM 482 N ALA A 31 22.527 2.864 -22.943 1.00 53.34 N ATOM 483 CA ALA A 31 21.775 4.061 -22.588 1.00 43.44 C ATOM 484 C ALA A 31 20.531 3.709 -21.780 1.00 41.51 C ATOM 485 O ALA A 31 19.538 3.227 -22.326 1.00 52.01 O ATOM 486 CB ALA A 31 21.390 4.832 -23.843 1.00 11.05 C ATOM 0 H ALA A 31 21.952 2.038 -23.107 1.00 53.34 H new ATOM 0 HA ALA A 31 22.413 4.690 -21.967 1.00 43.44 H new ATOM 0 HB1 ALA A 31 20.829 5.724 -23.564 1.00 11.05 H new ATOM 0 HB2 ALA A 31 22.292 5.124 -24.381 1.00 11.05 H new ATOM 0 HB3 ALA A 31 20.774 4.201 -24.483 1.00 11.05 H new ATOM 492 N LYS A 32 20.592 3.950 -20.474 1.00 42.21 N ATOM 493 CA LYS A 32 19.470 3.660 -19.589 1.00 42.03 C ATOM 494 C LYS A 32 18.378 4.714 -19.730 1.00 53.43 C ATOM 495 O LYS A 32 18.653 5.913 -19.708 1.00 15.15 O ATOM 496 CB LYS A 32 19.946 3.593 -18.135 1.00 10.13 C ATOM 497 CG LYS A 32 20.811 2.381 -17.833 1.00 15.14 C ATOM 498 CD LYS A 32 20.697 1.966 -16.376 1.00 43.25 C ATOM 499 CE LYS A 32 21.509 2.881 -15.471 1.00 41.14 C ATOM 500 NZ LYS A 32 21.980 2.174 -14.248 1.00 23.12 N1+ ATOM 0 H LYS A 32 21.407 4.346 -20.005 1.00 42.21 H new ATOM 0 HA LYS A 32 19.055 2.694 -19.874 1.00 42.03 H new ATOM 0 HB2 LYS A 32 20.509 4.497 -17.904 1.00 10.13 H new ATOM 0 HB3 LYS A 32 19.077 3.582 -17.477 1.00 10.13 H new ATOM 0 HG2 LYS A 32 20.513 1.551 -18.473 1.00 15.14 H new ATOM 0 HG3 LYS A 32 21.851 2.607 -18.068 1.00 15.14 H new ATOM 0 HD2 LYS A 32 19.651 1.986 -16.071 1.00 43.25 H new ATOM 0 HD3 LYS A 32 21.042 0.939 -16.261 1.00 43.25 H new ATOM 0 HE2 LYS A 32 22.367 3.267 -16.021 1.00 41.14 H new ATOM 0 HE3 LYS A 32 20.902 3.739 -15.183 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 22.529 2.831 -13.657 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 21.160 1.827 -13.710 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 22.580 1.370 -14.521 1.00 23.12 H new ATOM 514 N ALA A 33 17.138 4.259 -19.873 1.00 74.42 N ATOM 515 CA ALA A 33 16.003 5.164 -20.015 1.00 62.44 C ATOM 516 C ALA A 33 15.124 5.140 -18.769 1.00 33.43 C ATOM 517 O ALA A 33 14.793 4.074 -18.251 1.00 52.11 O ATOM 518 CB ALA A 33 15.188 4.800 -21.246 1.00 44.12 C ATOM 0 H ALA A 33 16.893 3.269 -19.894 1.00 74.42 H new ATOM 0 HA ALA A 33 16.389 6.176 -20.136 1.00 62.44 H new ATOM 0 HB1 ALA A 33 14.344 5.484 -21.339 1.00 44.12 H new ATOM 0 HB2 ALA A 33 15.816 4.876 -22.134 1.00 44.12 H new ATOM 0 HB3 ALA A 33 14.819 3.779 -21.149 1.00 44.12 H new ATOM 524 N VAL A 34 14.749 6.323 -18.292 1.00 63.33 N ATOM 525 CA VAL A 34 13.907 6.437 -17.106 1.00 45.44 C ATOM 526 C VAL A 34 12.490 6.861 -17.478 1.00 54.42 C ATOM 527 O VAL A 34 12.278 7.533 -18.487 1.00 75.20 O ATOM 528 CB VAL A 34 14.487 7.450 -16.102 1.00 12.22 C ATOM 529 CG1 VAL A 34 13.737 7.382 -14.781 1.00 2.34 C ATOM 530 CG2 VAL A 34 15.974 7.200 -15.892 1.00 72.31 C ATOM 0 H VAL A 34 15.015 7.216 -18.708 1.00 63.33 H new ATOM 0 HA VAL A 34 13.879 5.452 -16.641 1.00 45.44 H new ATOM 0 HB VAL A 34 14.364 8.452 -16.512 1.00 12.22 H new ATOM 0 HG11 VAL A 34 14.161 8.105 -14.084 1.00 2.34 H new ATOM 0 HG12 VAL A 34 12.685 7.613 -14.948 1.00 2.34 H new ATOM 0 HG13 VAL A 34 13.827 6.379 -14.363 1.00 2.34 H new ATOM 0 HG21 VAL A 34 16.368 7.925 -15.180 1.00 72.31 H new ATOM 0 HG22 VAL A 34 16.122 6.192 -15.504 1.00 72.31 H new ATOM 0 HG23 VAL A 34 16.498 7.304 -16.842 1.00 72.31 H new ATOM 540 N CYS A 35 11.525 6.465 -16.655 1.00 52.54 N ATOM 541 CA CYS A 35 10.128 6.804 -16.897 1.00 31.55 C ATOM 542 C CYS A 35 9.960 8.305 -17.106 1.00 12.13 C ATOM 543 O CYS A 35 10.129 9.093 -16.176 1.00 51.25 O ATOM 544 CB CYS A 35 9.260 6.339 -15.726 1.00 11.41 C ATOM 545 SG CYS A 35 7.534 6.870 -15.831 1.00 13.12 S ATOM 0 H CYS A 35 11.685 5.909 -15.815 1.00 52.54 H new ATOM 0 HA CYS A 35 9.807 6.292 -17.804 1.00 31.55 H new ATOM 0 HB2 CYS A 35 9.292 5.251 -15.674 1.00 11.41 H new ATOM 0 HB3 CYS A 35 9.689 6.715 -14.797 1.00 11.41 H new ATOM 0 HG CYS A 35 6.880 6.427 -14.798 1.00 13.12 H new ATOM 551 N GLY A 36 9.629 8.693 -18.333 1.00 33.13 N ATOM 552 CA GLY A 36 9.446 10.099 -18.643 1.00 22.01 C ATOM 553 C GLY A 36 10.690 10.728 -19.241 1.00 2.31 C ATOM 554 O GLY A 36 10.822 11.951 -19.270 1.00 12.12 O ATOM 0 H GLY A 36 9.484 8.059 -19.119 1.00 33.13 H new ATOM 0 HA2 GLY A 36 8.616 10.209 -19.341 1.00 22.01 H new ATOM 0 HA3 GLY A 36 9.172 10.636 -17.735 1.00 22.01 H new ATOM 558 N SER A 37 11.604 9.889 -19.718 1.00 14.13 N ATOM 559 CA SER A 37 12.845 10.369 -20.314 1.00 31.10 C ATOM 560 C SER A 37 12.829 10.182 -21.828 1.00 73.20 C ATOM 561 O SER A 37 12.016 9.428 -22.364 1.00 73.03 O ATOM 562 CB SER A 37 14.043 9.634 -19.710 1.00 61.42 C ATOM 563 OG SER A 37 14.127 8.307 -20.200 1.00 54.42 O ATOM 0 H SER A 37 11.508 8.874 -19.703 1.00 14.13 H new ATOM 0 HA SER A 37 12.935 11.434 -20.098 1.00 31.10 H new ATOM 0 HB2 SER A 37 14.961 10.172 -19.948 1.00 61.42 H new ATOM 0 HB3 SER A 37 13.955 9.619 -18.624 1.00 61.42 H new ATOM 0 HG SER A 37 13.414 7.765 -19.802 1.00 54.42 H new ATOM 569 N THR A 38 13.734 10.874 -22.513 1.00 25.44 N ATOM 570 CA THR A 38 13.825 10.786 -23.965 1.00 13.34 C ATOM 571 C THR A 38 15.221 10.360 -24.403 1.00 44.22 C ATOM 572 O THR A 38 16.202 10.589 -23.696 1.00 73.14 O ATOM 573 CB THR A 38 13.477 12.130 -24.632 1.00 44.44 C ATOM 574 OG1 THR A 38 14.238 12.292 -25.834 1.00 11.42 O ATOM 575 CG2 THR A 38 13.755 13.290 -23.689 1.00 11.40 C ATOM 0 H THR A 38 14.415 11.502 -22.085 1.00 25.44 H new ATOM 0 HA THR A 38 13.103 10.034 -24.282 1.00 13.34 H new ATOM 0 HB THR A 38 12.414 12.126 -24.874 1.00 44.44 H new ATOM 0 HG1 THR A 38 14.010 13.148 -26.253 1.00 11.42 H new ATOM 0 HG21 THR A 38 13.502 14.228 -24.182 1.00 11.40 H new ATOM 0 HG22 THR A 38 13.152 13.179 -22.788 1.00 11.40 H new ATOM 0 HG23 THR A 38 14.811 13.295 -23.420 1.00 11.40 H new ATOM 583 N VAL A 39 15.305 9.742 -25.577 1.00 70.42 N ATOM 584 CA VAL A 39 16.583 9.286 -26.112 1.00 33.14 C ATOM 585 C VAL A 39 17.582 10.434 -26.201 1.00 42.12 C ATOM 586 O VAL A 39 18.747 10.289 -25.828 1.00 10.21 O ATOM 587 CB VAL A 39 16.415 8.656 -27.507 1.00 65.42 C ATOM 588 CG1 VAL A 39 15.680 7.327 -27.408 1.00 4.01 C ATOM 589 CG2 VAL A 39 15.684 9.611 -28.438 1.00 35.23 C ATOM 0 H VAL A 39 14.503 9.546 -26.176 1.00 70.42 H new ATOM 0 HA VAL A 39 16.963 8.530 -25.424 1.00 33.14 H new ATOM 0 HB VAL A 39 17.405 8.466 -27.923 1.00 65.42 H new ATOM 0 HG11 VAL A 39 15.571 6.897 -28.403 1.00 4.01 H new ATOM 0 HG12 VAL A 39 16.248 6.643 -26.777 1.00 4.01 H new ATOM 0 HG13 VAL A 39 14.694 7.488 -26.972 1.00 4.01 H new ATOM 0 HG21 VAL A 39 15.574 9.150 -29.419 1.00 35.23 H new ATOM 0 HG22 VAL A 39 14.698 9.834 -28.030 1.00 35.23 H new ATOM 0 HG23 VAL A 39 16.255 10.535 -28.533 1.00 35.23 H new ATOM 599 N LEU A 40 17.120 11.576 -26.699 1.00 4.40 N ATOM 600 CA LEU A 40 17.973 12.751 -26.838 1.00 4.13 C ATOM 601 C LEU A 40 18.584 13.142 -25.496 1.00 3.52 C ATOM 602 O LEU A 40 19.773 13.446 -25.409 1.00 65.40 O ATOM 603 CB LEU A 40 17.170 13.923 -27.407 1.00 11.34 C ATOM 604 CG LEU A 40 16.240 13.595 -28.575 1.00 34.30 C ATOM 605 CD1 LEU A 40 15.590 14.861 -29.110 1.00 31.55 C ATOM 606 CD2 LEU A 40 17.003 12.876 -29.678 1.00 22.30 C ATOM 0 H LEU A 40 16.159 11.713 -27.013 1.00 4.40 H new ATOM 0 HA LEU A 40 18.782 12.504 -27.526 1.00 4.13 H new ATOM 0 HB2 LEU A 40 16.573 14.353 -26.603 1.00 11.34 H new ATOM 0 HB3 LEU A 40 17.870 14.693 -27.731 1.00 11.34 H new ATOM 0 HG LEU A 40 15.453 12.932 -28.215 1.00 34.30 H new ATOM 0 HD11 LEU A 40 14.931 14.609 -29.941 1.00 31.55 H new ATOM 0 HD12 LEU A 40 15.010 15.335 -28.318 1.00 31.55 H new ATOM 0 HD13 LEU A 40 16.362 15.549 -29.455 1.00 31.55 H new ATOM 0 HD21 LEU A 40 16.325 12.650 -30.501 1.00 22.30 H new ATOM 0 HD22 LEU A 40 17.811 13.514 -30.037 1.00 22.30 H new ATOM 0 HD23 LEU A 40 17.420 11.948 -29.287 1.00 22.30 H new ATOM 618 N ASP A 41 17.762 13.130 -24.452 1.00 72.45 N ATOM 619 CA ASP A 41 18.222 13.479 -23.113 1.00 42.14 C ATOM 620 C ASP A 41 19.097 12.373 -22.532 1.00 25.23 C ATOM 621 O ASP A 41 19.958 12.625 -21.689 1.00 10.41 O ATOM 622 CB ASP A 41 17.029 13.738 -22.192 1.00 13.44 C ATOM 623 CG ASP A 41 16.211 14.939 -22.628 1.00 24.42 C ATOM 624 OD1 ASP A 41 15.247 15.290 -21.916 1.00 41.20 O ATOM 625 OD2 ASP A 41 16.534 15.524 -23.683 1.00 64.23 O1- ATOM 0 H ASP A 41 16.774 12.882 -24.507 1.00 72.45 H new ATOM 0 HA ASP A 41 18.819 14.388 -23.187 1.00 42.14 H new ATOM 0 HB2 ASP A 41 16.390 12.855 -22.172 1.00 13.44 H new ATOM 0 HB3 ASP A 41 17.387 13.896 -21.174 1.00 13.44 H new ATOM 630 N VAL A 42 18.871 11.146 -22.989 1.00 2.11 N ATOM 631 CA VAL A 42 19.638 10.000 -22.516 1.00 13.25 C ATOM 632 C VAL A 42 21.038 9.988 -23.119 1.00 11.24 C ATOM 633 O VAL A 42 21.990 9.521 -22.496 1.00 54.34 O ATOM 634 CB VAL A 42 18.933 8.673 -22.854 1.00 43.20 C ATOM 635 CG1 VAL A 42 19.813 7.490 -22.480 1.00 3.53 C ATOM 636 CG2 VAL A 42 17.588 8.590 -22.151 1.00 61.21 C ATOM 0 H VAL A 42 18.162 10.920 -23.687 1.00 2.11 H new ATOM 0 HA VAL A 42 19.713 10.096 -21.433 1.00 13.25 H new ATOM 0 HB VAL A 42 18.758 8.639 -23.929 1.00 43.20 H new ATOM 0 HG11 VAL A 42 19.298 6.561 -22.726 1.00 3.53 H new ATOM 0 HG12 VAL A 42 20.750 7.544 -23.035 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.023 7.516 -21.411 1.00 3.53 H new ATOM 0 HG21 VAL A 42 17.104 7.646 -22.401 1.00 61.21 H new ATOM 0 HG22 VAL A 42 17.737 8.647 -21.073 1.00 61.21 H new ATOM 0 HG23 VAL A 42 16.957 9.418 -22.474 1.00 61.21 H new ATOM 646 N ALA A 43 21.155 10.506 -24.338 1.00 21.42 N ATOM 647 CA ALA A 43 22.438 10.558 -25.026 1.00 20.42 C ATOM 648 C ALA A 43 23.460 11.355 -24.223 1.00 42.52 C ATOM 649 O ALA A 43 24.654 11.055 -24.245 1.00 14.32 O ATOM 650 CB ALA A 43 22.270 11.159 -26.413 1.00 62.22 C ATOM 0 H ALA A 43 20.376 10.895 -24.869 1.00 21.42 H new ATOM 0 HA ALA A 43 22.809 9.538 -25.127 1.00 20.42 H new ATOM 0 HB1 ALA A 43 23.237 11.191 -26.915 1.00 62.22 H new ATOM 0 HB2 ALA A 43 21.580 10.547 -26.994 1.00 62.22 H new ATOM 0 HB3 ALA A 43 21.872 12.170 -26.326 1.00 62.22 H new ATOM 656 N HIS A 44 22.984 12.373 -23.512 1.00 12.51 N ATOM 657 CA HIS A 44 23.857 13.215 -22.701 1.00 50.24 C ATOM 658 C HIS A 44 24.315 12.474 -21.448 1.00 54.31 C ATOM 659 O HIS A 44 25.447 12.639 -20.995 1.00 12.45 O ATOM 660 CB HIS A 44 23.137 14.505 -22.310 1.00 75.20 C ATOM 661 CG HIS A 44 24.064 15.606 -21.894 1.00 61.53 C ATOM 662 ND1 HIS A 44 24.866 15.532 -20.775 1.00 44.12 N ATOM 663 CD2 HIS A 44 24.315 16.811 -22.457 1.00 13.23 C ATOM 664 CE1 HIS A 44 25.569 16.645 -20.666 1.00 32.52 C ATOM 665 NE2 HIS A 44 25.253 17.437 -21.673 1.00 53.52 N ATOM 0 H HIS A 44 21.999 12.635 -23.481 1.00 12.51 H new ATOM 0 HA HIS A 44 24.736 13.465 -23.296 1.00 50.24 H new ATOM 0 HB2 HIS A 44 22.536 14.846 -23.153 1.00 75.20 H new ATOM 0 HB3 HIS A 44 22.448 14.293 -21.493 1.00 75.20 H new ATOM 0 HD1 HIS A 44 24.910 14.741 -20.132 1.00 44.12 H new ATOM 0 HD2 HIS A 44 23.863 17.206 -23.354 1.00 13.23 H new ATOM 0 HE1 HIS A 44 26.281 16.869 -19.886 1.00 32.52 H new ATOM 673 N LYS A 45 23.427 11.656 -20.893 1.00 13.22 N ATOM 674 CA LYS A 45 23.738 10.889 -19.692 1.00 44.10 C ATOM 675 C LYS A 45 24.847 9.878 -19.966 1.00 71.53 C ATOM 676 O LYS A 45 25.800 9.764 -19.195 1.00 73.03 O ATOM 677 CB LYS A 45 22.489 10.166 -19.186 1.00 74.53 C ATOM 678 CG LYS A 45 21.275 11.070 -19.053 1.00 40.45 C ATOM 679 CD LYS A 45 21.490 12.141 -17.998 1.00 63.15 C ATOM 680 CE LYS A 45 21.248 11.601 -16.597 1.00 32.12 C ATOM 681 NZ LYS A 45 19.797 11.560 -16.261 1.00 61.40 N1+ ATOM 0 H LYS A 45 22.485 11.507 -21.256 1.00 13.22 H new ATOM 0 HA LYS A 45 24.083 11.584 -18.926 1.00 44.10 H new ATOM 0 HB2 LYS A 45 22.251 9.350 -19.868 1.00 74.53 H new ATOM 0 HB3 LYS A 45 22.706 9.718 -18.216 1.00 74.53 H new ATOM 0 HG2 LYS A 45 21.064 11.541 -20.013 1.00 40.45 H new ATOM 0 HG3 LYS A 45 20.402 10.472 -18.793 1.00 40.45 H new ATOM 0 HD2 LYS A 45 22.508 12.525 -18.070 1.00 63.15 H new ATOM 0 HD3 LYS A 45 20.819 12.979 -18.187 1.00 63.15 H new ATOM 0 HE2 LYS A 45 21.668 10.598 -16.517 1.00 32.12 H new ATOM 0 HE3 LYS A 45 21.771 12.225 -15.872 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 19.674 11.186 -15.298 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 19.401 12.520 -16.313 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 19.301 10.945 -16.937 1.00 61.40 H new ATOM 695 N ASN A 46 24.717 9.147 -21.069 1.00 44.51 N ATOM 696 CA ASN A 46 25.710 8.147 -21.443 1.00 43.23 C ATOM 697 C ASN A 46 26.975 8.809 -21.979 1.00 15.11 C ATOM 698 O ASN A 46 28.061 8.232 -21.927 1.00 20.00 O ATOM 699 CB ASN A 46 25.133 7.196 -22.495 1.00 55.02 C ATOM 700 CG ASN A 46 26.147 6.169 -22.963 1.00 74.42 C ATOM 701 OD1 ASN A 46 26.344 5.978 -24.163 1.00 22.42 O ATOM 702 ND2 ASN A 46 26.796 5.503 -22.015 1.00 50.43 N ATOM 0 H ASN A 46 23.935 9.229 -21.718 1.00 44.51 H new ATOM 0 HA ASN A 46 25.971 7.578 -20.551 1.00 43.23 H new ATOM 0 HB2 ASN A 46 24.265 6.683 -22.080 1.00 55.02 H new ATOM 0 HB3 ASN A 46 24.783 7.774 -23.351 1.00 55.02 H new ATOM 0 HD21 ASN A 46 27.490 4.800 -22.269 1.00 50.43 H new ATOM 0 HD22 ASN A 46 26.600 5.694 -21.032 1.00 50.43 H new ATOM 709 N GLY A 47 26.827 10.026 -22.493 1.00 71.54 N ATOM 710 CA GLY A 47 27.966 10.748 -23.031 1.00 65.12 C ATOM 711 C GLY A 47 27.945 10.818 -24.545 1.00 62.25 C ATOM 712 O GLY A 47 28.709 11.571 -25.148 1.00 22.30 O ATOM 0 H GLY A 47 25.939 10.525 -22.547 1.00 71.54 H new ATOM 0 HA2 GLY A 47 27.977 11.759 -22.624 1.00 65.12 H new ATOM 0 HA3 GLY A 47 28.886 10.263 -22.705 1.00 65.12 H new ATOM 716 N VAL A 48 27.068 10.032 -25.161 1.00 31.22 N ATOM 717 CA VAL A 48 26.951 10.008 -26.613 1.00 41.02 C ATOM 718 C VAL A 48 26.789 11.416 -27.176 1.00 3.44 C ATOM 719 O VAL A 48 26.031 12.225 -26.641 1.00 22.32 O ATOM 720 CB VAL A 48 25.759 9.145 -27.067 1.00 34.34 C ATOM 721 CG1 VAL A 48 25.730 9.027 -28.583 1.00 23.24 C ATOM 722 CG2 VAL A 48 25.818 7.772 -26.418 1.00 32.44 C ATOM 0 H VAL A 48 26.428 9.403 -24.676 1.00 31.22 H new ATOM 0 HA VAL A 48 27.873 9.571 -26.996 1.00 41.02 H new ATOM 0 HB VAL A 48 24.838 9.633 -26.748 1.00 34.34 H new ATOM 0 HG11 VAL A 48 24.881 8.414 -28.884 1.00 23.24 H new ATOM 0 HG12 VAL A 48 25.635 10.020 -29.023 1.00 23.24 H new ATOM 0 HG13 VAL A 48 26.654 8.563 -28.930 1.00 23.24 H new ATOM 0 HG21 VAL A 48 24.968 7.176 -26.750 1.00 32.44 H new ATOM 0 HG22 VAL A 48 26.744 7.274 -26.704 1.00 32.44 H new ATOM 0 HG23 VAL A 48 25.784 7.880 -25.334 1.00 32.44 H new ATOM 732 N ASP A 49 27.507 11.702 -28.257 1.00 40.14 N ATOM 733 CA ASP A 49 27.442 13.012 -28.893 1.00 14.22 C ATOM 734 C ASP A 49 26.200 13.127 -29.774 1.00 34.02 C ATOM 735 O ASP A 49 26.273 12.962 -30.992 1.00 75.21 O ATOM 736 CB ASP A 49 28.699 13.260 -29.727 1.00 52.55 C ATOM 737 CG ASP A 49 28.588 14.506 -30.585 1.00 23.12 C ATOM 738 OD1 ASP A 49 28.433 15.607 -30.014 1.00 1.55 O ATOM 739 OD2 ASP A 49 28.658 14.381 -31.825 1.00 61.21 O1- ATOM 0 H ASP A 49 28.141 11.044 -28.711 1.00 40.14 H new ATOM 0 HA ASP A 49 27.381 13.767 -28.109 1.00 14.22 H new ATOM 0 HB2 ASP A 49 29.559 13.354 -29.064 1.00 52.55 H new ATOM 0 HB3 ASP A 49 28.883 12.397 -30.367 1.00 52.55 H new ATOM 744 N LEU A 50 25.063 13.411 -29.149 1.00 12.10 N ATOM 745 CA LEU A 50 23.806 13.548 -29.875 1.00 14.20 C ATOM 746 C LEU A 50 22.935 14.637 -29.256 1.00 31.24 C ATOM 747 O LEU A 50 22.402 14.470 -28.159 1.00 24.23 O ATOM 748 CB LEU A 50 23.049 12.218 -29.882 1.00 11.15 C ATOM 749 CG LEU A 50 21.600 12.272 -30.363 1.00 12.15 C ATOM 750 CD1 LEU A 50 21.522 12.876 -31.757 1.00 70.43 C ATOM 751 CD2 LEU A 50 20.981 10.882 -30.347 1.00 5.33 C ATOM 0 H LEU A 50 24.986 13.551 -28.142 1.00 12.10 H new ATOM 0 HA LEU A 50 24.038 13.833 -30.901 1.00 14.20 H new ATOM 0 HB2 LEU A 50 23.594 11.516 -30.513 1.00 11.15 H new ATOM 0 HB3 LEU A 50 23.060 11.812 -28.871 1.00 11.15 H new ATOM 0 HG LEU A 50 21.035 12.908 -29.682 1.00 12.15 H new ATOM 0 HD11 LEU A 50 20.482 12.906 -32.083 1.00 70.43 H new ATOM 0 HD12 LEU A 50 21.926 13.888 -31.738 1.00 70.43 H new ATOM 0 HD13 LEU A 50 22.102 12.267 -32.450 1.00 70.43 H new ATOM 0 HD21 LEU A 50 19.949 10.939 -30.693 1.00 5.33 H new ATOM 0 HD22 LEU A 50 21.548 10.224 -31.005 1.00 5.33 H new ATOM 0 HD23 LEU A 50 21.002 10.486 -29.332 1.00 5.33 H new ATOM 905 N CYS A 63 12.993 13.602 -37.327 1.00 12.42 N ATOM 906 CA CYS A 63 13.907 12.739 -36.587 1.00 3.52 C ATOM 907 C CYS A 63 14.325 11.539 -37.431 1.00 2.45 C ATOM 908 O CYS A 63 14.085 10.391 -37.060 1.00 4.13 O ATOM 909 CB CYS A 63 13.250 12.260 -35.291 1.00 25.53 C ATOM 910 SG CYS A 63 12.901 13.591 -34.098 1.00 22.10 S ATOM 0 HA CYS A 63 14.798 13.318 -36.344 1.00 3.52 H new ATOM 0 HB2 CYS A 63 12.317 11.752 -35.535 1.00 25.53 H new ATOM 0 HB3 CYS A 63 13.899 11.524 -34.818 1.00 25.53 H new ATOM 0 HG CYS A 63 12.344 13.087 -33.037 1.00 22.10 H new ATOM 915 N HIS A 64 14.953 11.814 -38.571 1.00 63.44 N ATOM 916 CA HIS A 64 15.406 10.758 -39.469 1.00 3.42 C ATOM 917 C HIS A 64 16.564 9.981 -38.851 1.00 30.22 C ATOM 918 O HIS A 64 17.729 10.336 -39.031 1.00 61.33 O ATOM 919 CB HIS A 64 15.831 11.349 -40.813 1.00 52.43 C ATOM 920 CG HIS A 64 16.342 10.328 -41.782 1.00 13.30 C ATOM 921 ND1 HIS A 64 15.595 9.853 -42.838 1.00 62.35 N ATOM 922 CD2 HIS A 64 17.535 9.692 -41.850 1.00 65.44 C ATOM 923 CE1 HIS A 64 16.304 8.967 -43.515 1.00 13.15 C ATOM 924 NE2 HIS A 64 17.486 8.851 -42.935 1.00 23.12 N ATOM 0 H HIS A 64 15.159 12.759 -38.894 1.00 63.44 H new ATOM 0 HA HIS A 64 14.576 10.071 -39.631 1.00 3.42 H new ATOM 0 HB2 HIS A 64 14.981 11.867 -41.258 1.00 52.43 H new ATOM 0 HB3 HIS A 64 16.606 12.096 -40.643 1.00 52.43 H new ATOM 0 HD1 HIS A 64 14.642 10.141 -43.062 1.00 62.35 H new ATOM 0 HD2 HIS A 64 18.370 9.822 -41.177 1.00 65.44 H new ATOM 0 HE1 HIS A 64 15.974 8.430 -44.392 1.00 13.15 H new ATOM 932 N VAL A 65 16.237 8.918 -38.124 1.00 61.11 N ATOM 933 CA VAL A 65 17.249 8.090 -37.480 1.00 32.34 C ATOM 934 C VAL A 65 17.051 6.617 -37.816 1.00 22.50 C ATOM 935 O VAL A 65 15.952 6.195 -38.179 1.00 34.33 O ATOM 936 CB VAL A 65 17.226 8.263 -35.949 1.00 11.13 C ATOM 937 CG1 VAL A 65 18.481 7.670 -35.327 1.00 72.25 C ATOM 938 CG2 VAL A 65 17.082 9.731 -35.582 1.00 23.01 C ATOM 0 H VAL A 65 15.278 8.610 -37.966 1.00 61.11 H new ATOM 0 HA VAL A 65 18.215 8.420 -37.861 1.00 32.34 H new ATOM 0 HB VAL A 65 16.364 7.727 -35.552 1.00 11.13 H new ATOM 0 HG11 VAL A 65 18.448 7.801 -34.245 1.00 72.25 H new ATOM 0 HG12 VAL A 65 18.536 6.607 -35.562 1.00 72.25 H new ATOM 0 HG13 VAL A 65 19.359 8.176 -35.727 1.00 72.25 H new ATOM 0 HG21 VAL A 65 17.067 9.835 -34.497 1.00 23.01 H new ATOM 0 HG22 VAL A 65 17.923 10.292 -35.989 1.00 23.01 H new ATOM 0 HG23 VAL A 65 16.152 10.120 -35.996 1.00 23.01 H new ATOM 948 N ILE A 66 18.121 5.838 -37.696 1.00 21.12 N ATOM 949 CA ILE A 66 18.063 4.410 -37.986 1.00 32.41 C ATOM 950 C ILE A 66 17.690 3.611 -36.742 1.00 54.10 C ATOM 951 O ILE A 66 18.225 3.844 -35.658 1.00 14.31 O ATOM 952 CB ILE A 66 19.407 3.892 -38.532 1.00 13.50 C ATOM 953 CG1 ILE A 66 19.833 4.706 -39.755 1.00 41.34 C ATOM 954 CG2 ILE A 66 19.303 2.415 -38.880 1.00 64.43 C ATOM 955 CD1 ILE A 66 20.881 5.753 -39.450 1.00 62.21 C ATOM 0 H ILE A 66 19.038 6.171 -37.400 1.00 21.12 H new ATOM 0 HA ILE A 66 17.294 4.273 -38.746 1.00 32.41 H new ATOM 0 HB ILE A 66 20.167 4.010 -37.759 1.00 13.50 H new ATOM 0 HG12 ILE A 66 20.220 4.028 -40.516 1.00 41.34 H new ATOM 0 HG13 ILE A 66 18.956 5.195 -40.179 1.00 41.34 H new ATOM 0 HG21 ILE A 66 20.260 2.063 -39.264 1.00 64.43 H new ATOM 0 HG22 ILE A 66 19.041 1.848 -37.987 1.00 64.43 H new ATOM 0 HG23 ILE A 66 18.533 2.273 -39.639 1.00 64.43 H new ATOM 0 HD11 ILE A 66 21.135 6.291 -40.363 1.00 62.21 H new ATOM 0 HD12 ILE A 66 20.491 6.454 -38.712 1.00 62.21 H new ATOM 0 HD13 ILE A 66 21.774 5.269 -39.054 1.00 62.21 H new ATOM 967 N LEU A 67 16.770 2.667 -36.907 1.00 62.31 N ATOM 968 CA LEU A 67 16.325 1.830 -35.797 1.00 64.04 C ATOM 969 C LEU A 67 16.393 0.353 -36.169 1.00 12.11 C ATOM 970 O LEU A 67 16.394 -0.001 -37.347 1.00 61.41 O ATOM 971 CB LEU A 67 14.897 2.201 -35.394 1.00 53.02 C ATOM 972 CG LEU A 67 14.385 1.584 -34.092 1.00 54.25 C ATOM 973 CD1 LEU A 67 15.241 2.031 -32.917 1.00 12.14 C ATOM 974 CD2 LEU A 67 12.928 1.953 -33.863 1.00 10.33 C ATOM 0 H LEU A 67 16.318 2.462 -37.798 1.00 62.31 H new ATOM 0 HA LEU A 67 16.991 2.004 -34.952 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.836 3.286 -35.307 1.00 53.02 H new ATOM 0 HB3 LEU A 67 14.225 1.907 -36.201 1.00 53.02 H new ATOM 0 HG LEU A 67 14.455 0.499 -34.175 1.00 54.25 H new ATOM 0 HD11 LEU A 67 14.862 1.582 -31.999 1.00 12.14 H new ATOM 0 HD12 LEU A 67 16.272 1.715 -33.077 1.00 12.14 H new ATOM 0 HD13 LEU A 67 15.204 3.117 -32.832 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.581 1.505 -32.932 1.00 10.33 H new ATOM 0 HD22 LEU A 67 12.833 3.037 -33.802 1.00 10.33 H new ATOM 0 HD23 LEU A 67 12.324 1.582 -34.691 1.00 10.33 H new ATOM 986 N GLU A 68 16.448 -0.506 -35.155 1.00 71.02 N ATOM 987 CA GLU A 68 16.515 -1.945 -35.376 1.00 2.24 C ATOM 988 C GLU A 68 15.505 -2.381 -36.434 1.00 45.14 C ATOM 989 O GLU A 68 14.396 -1.852 -36.502 1.00 70.41 O ATOM 990 CB GLU A 68 16.256 -2.697 -34.068 1.00 2.12 C ATOM 991 CG GLU A 68 17.407 -3.591 -33.642 1.00 61.11 C ATOM 992 CD GLU A 68 17.066 -5.065 -33.730 1.00 60.41 C ATOM 993 OE1 GLU A 68 17.531 -5.726 -34.682 1.00 23.25 O ATOM 994 OE2 GLU A 68 16.332 -5.558 -32.847 1.00 54.52 O1- ATOM 0 H GLU A 68 16.447 -0.230 -34.173 1.00 71.02 H new ATOM 0 HA GLU A 68 17.516 -2.185 -35.733 1.00 2.24 H new ATOM 0 HB2 GLU A 68 16.056 -1.974 -33.277 1.00 2.12 H new ATOM 0 HB3 GLU A 68 15.358 -3.304 -34.180 1.00 2.12 H new ATOM 0 HG2 GLU A 68 18.274 -3.385 -34.270 1.00 61.11 H new ATOM 0 HG3 GLU A 68 17.690 -3.348 -32.618 1.00 61.11 H new ATOM 1001 N GLU A 69 15.900 -3.346 -37.258 1.00 22.44 N ATOM 1002 CA GLU A 69 15.030 -3.852 -38.314 1.00 73.04 C ATOM 1003 C GLU A 69 13.714 -4.363 -37.736 1.00 43.43 C ATOM 1004 O GLU A 69 12.631 -3.880 -38.067 1.00 23.14 O ATOM 1005 CB GLU A 69 15.729 -4.971 -39.089 1.00 71.35 C ATOM 1006 CG GLU A 69 16.066 -4.599 -40.524 1.00 42.54 C ATOM 1007 CD GLU A 69 16.470 -5.799 -41.357 1.00 13.13 C ATOM 1008 OE1 GLU A 69 17.301 -5.631 -42.274 1.00 54.15 O ATOM 1009 OE2 GLU A 69 15.957 -6.907 -41.093 1.00 42.34 O1- ATOM 0 H GLU A 69 16.816 -3.793 -37.215 1.00 22.44 H new ATOM 0 HA GLU A 69 14.812 -3.030 -38.996 1.00 73.04 H new ATOM 0 HB2 GLU A 69 16.647 -5.244 -38.568 1.00 71.35 H new ATOM 0 HB3 GLU A 69 15.090 -5.854 -39.092 1.00 71.35 H new ATOM 0 HG2 GLU A 69 15.203 -4.117 -40.983 1.00 42.54 H new ATOM 0 HG3 GLU A 69 16.877 -3.870 -40.526 1.00 42.54 H new ATOM 1016 N PRO A 70 13.807 -5.366 -36.850 1.00 54.22 N ATOM 1017 CA PRO A 70 12.634 -5.967 -36.207 1.00 20.10 C ATOM 1018 C PRO A 70 11.971 -5.020 -35.212 1.00 1.22 C ATOM 1019 O PRO A 70 10.754 -4.827 -35.240 1.00 33.25 O ATOM 1020 CB PRO A 70 13.211 -7.185 -35.483 1.00 54.11 C ATOM 1021 CG PRO A 70 14.640 -6.841 -35.241 1.00 53.54 C ATOM 1022 CD PRO A 70 15.065 -5.992 -36.408 1.00 23.21 C ATOM 0 HA PRO A 70 11.855 -6.213 -36.928 1.00 20.10 H new ATOM 0 HB2 PRO A 70 12.686 -7.375 -34.547 1.00 54.11 H new ATOM 0 HB3 PRO A 70 13.118 -8.086 -36.089 1.00 54.11 H new ATOM 0 HG2 PRO A 70 14.758 -6.300 -34.302 1.00 53.54 H new ATOM 0 HG3 PRO A 70 15.251 -7.741 -35.170 1.00 53.54 H new ATOM 0 HD2 PRO A 70 15.804 -5.246 -36.114 1.00 23.21 H new ATOM 0 HD3 PRO A 70 15.515 -6.592 -37.199 1.00 23.21 H new ATOM 1030 N LEU A 71 12.776 -4.431 -34.335 1.00 73.21 N ATOM 1031 CA LEU A 71 12.267 -3.503 -33.332 1.00 71.13 C ATOM 1032 C LEU A 71 11.407 -2.421 -33.977 1.00 14.24 C ATOM 1033 O LEU A 71 10.355 -2.055 -33.454 1.00 22.31 O ATOM 1034 CB LEU A 71 13.426 -2.862 -32.567 1.00 11.33 C ATOM 1035 CG LEU A 71 13.139 -2.474 -31.116 1.00 51.51 C ATOM 1036 CD1 LEU A 71 12.059 -1.405 -31.053 1.00 70.15 C ATOM 1037 CD2 LEU A 71 12.731 -3.696 -30.307 1.00 52.41 C ATOM 0 H LEU A 71 13.784 -4.580 -34.298 1.00 73.21 H new ATOM 0 HA LEU A 71 11.646 -4.065 -32.634 1.00 71.13 H new ATOM 0 HB2 LEU A 71 14.269 -3.553 -32.577 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.741 -1.968 -33.106 1.00 11.33 H new ATOM 0 HG LEU A 71 14.052 -2.065 -30.682 1.00 51.51 H new ATOM 0 HD11 LEU A 71 11.868 -1.142 -30.013 1.00 70.15 H new ATOM 0 HD12 LEU A 71 12.391 -0.520 -31.596 1.00 70.15 H new ATOM 0 HD13 LEU A 71 11.143 -1.786 -31.505 1.00 70.15 H new ATOM 0 HD21 LEU A 71 12.531 -3.400 -29.277 1.00 52.41 H new ATOM 0 HD22 LEU A 71 11.832 -4.135 -30.740 1.00 52.41 H new ATOM 0 HD23 LEU A 71 13.537 -4.429 -30.324 1.00 52.41 H new ATOM 1049 N TYR A 72 11.863 -1.913 -35.117 1.00 23.13 N ATOM 1050 CA TYR A 72 11.136 -0.873 -35.835 1.00 72.33 C ATOM 1051 C TYR A 72 9.884 -1.440 -36.497 1.00 64.33 C ATOM 1052 O TYR A 72 8.781 -0.926 -36.308 1.00 54.01 O ATOM 1053 CB TYR A 72 12.037 -0.226 -36.888 1.00 62.53 C ATOM 1054 CG TYR A 72 11.355 0.869 -37.677 1.00 74.02 C ATOM 1055 CD1 TYR A 72 10.694 0.588 -38.866 1.00 13.23 C ATOM 1056 CD2 TYR A 72 11.374 2.186 -37.235 1.00 33.42 C ATOM 1057 CE1 TYR A 72 10.070 1.585 -39.591 1.00 74.45 C ATOM 1058 CE2 TYR A 72 10.753 3.190 -37.952 1.00 12.54 C ATOM 1059 CZ TYR A 72 10.102 2.884 -39.129 1.00 14.41 C ATOM 1060 OH TYR A 72 9.483 3.882 -39.847 1.00 23.11 O ATOM 0 H TYR A 72 12.733 -2.205 -35.563 1.00 23.13 H new ATOM 0 HA TYR A 72 10.830 -0.115 -35.114 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.918 0.187 -36.396 1.00 62.53 H new ATOM 0 HB3 TYR A 72 12.387 -0.995 -37.577 1.00 62.53 H new ATOM 0 HD1 TYR A 72 10.667 -0.428 -39.230 1.00 13.23 H new ATOM 0 HD2 TYR A 72 11.883 2.429 -36.314 1.00 33.42 H new ATOM 0 HE1 TYR A 72 9.561 1.349 -40.513 1.00 74.45 H new ATOM 0 HE2 TYR A 72 10.777 4.208 -37.593 1.00 12.54 H new ATOM 0 HH TYR A 72 10.134 4.310 -40.441 1.00 23.11 H new ATOM 1070 N ARG A 73 10.064 -2.503 -37.273 1.00 65.44 N ATOM 1071 CA ARG A 73 8.951 -3.142 -37.965 1.00 14.13 C ATOM 1072 C ARG A 73 7.825 -3.475 -36.990 1.00 11.43 C ATOM 1073 O ARG A 73 6.645 -3.401 -37.338 1.00 2.21 O ATOM 1074 CB ARG A 73 9.424 -4.414 -38.671 1.00 24.52 C ATOM 1075 CG ARG A 73 8.963 -4.515 -40.116 1.00 20.20 C ATOM 1076 CD ARG A 73 10.085 -4.169 -41.083 1.00 62.31 C ATOM 1077 NE ARG A 73 9.950 -4.875 -42.354 1.00 14.20 N ATOM 1078 CZ ARG A 73 10.717 -4.638 -43.413 1.00 65.04 C ATOM 1079 NH1 ARG A 73 11.668 -3.717 -43.352 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 10.532 -5.322 -44.533 1.00 13.35 N ATOM 0 H ARG A 73 10.970 -2.940 -37.439 1.00 65.44 H new ATOM 0 HA ARG A 73 8.569 -2.444 -38.710 1.00 14.13 H new ATOM 0 HB2 ARG A 73 10.513 -4.452 -38.642 1.00 24.52 H new ATOM 0 HB3 ARG A 73 9.060 -5.282 -38.121 1.00 24.52 H new ATOM 0 HG2 ARG A 73 8.607 -5.526 -40.316 1.00 20.20 H new ATOM 0 HG3 ARG A 73 8.121 -3.843 -40.278 1.00 20.20 H new ATOM 0 HD2 ARG A 73 10.089 -3.094 -41.264 1.00 62.31 H new ATOM 0 HD3 ARG A 73 11.044 -4.419 -40.630 1.00 62.31 H new ATOM 0 HE ARG A 73 9.227 -5.590 -42.433 1.00 14.20 H new ATOM 0 HH11 ARG A 73 11.812 -3.189 -42.491 1.00 12.32 H new ATOM 0 HH12 ARG A 73 12.256 -3.536 -44.166 1.00 12.32 H new ATOM 0 HH21 ARG A 73 9.800 -6.031 -44.583 1.00 13.35 H new ATOM 0 HH22 ARG A 73 11.121 -5.139 -45.345 1.00 13.35 H new ATOM 1094 N LYS A 74 8.197 -3.844 -35.770 1.00 33.12 N ATOM 1095 CA LYS A 74 7.219 -4.188 -34.744 1.00 31.02 C ATOM 1096 C LYS A 74 6.598 -2.933 -34.140 1.00 63.21 C ATOM 1097 O LYS A 74 5.383 -2.858 -33.951 1.00 75.00 O ATOM 1098 CB LYS A 74 7.877 -5.025 -33.644 1.00 65.31 C ATOM 1099 CG LYS A 74 8.019 -6.495 -34.000 1.00 40.52 C ATOM 1100 CD LYS A 74 8.202 -7.354 -32.760 1.00 34.44 C ATOM 1101 CE LYS A 74 6.884 -7.957 -32.300 1.00 41.15 C ATOM 1102 NZ LYS A 74 6.612 -9.265 -32.959 1.00 30.01 N1+ ATOM 0 H LYS A 74 9.168 -3.913 -35.467 1.00 33.12 H new ATOM 0 HA LYS A 74 6.428 -4.773 -35.213 1.00 31.02 H new ATOM 0 HB2 LYS A 74 8.864 -4.615 -33.429 1.00 65.31 H new ATOM 0 HB3 LYS A 74 7.289 -4.936 -32.731 1.00 65.31 H new ATOM 0 HG2 LYS A 74 7.135 -6.825 -34.545 1.00 40.52 H new ATOM 0 HG3 LYS A 74 8.872 -6.628 -34.665 1.00 40.52 H new ATOM 0 HD2 LYS A 74 8.914 -8.152 -32.971 1.00 34.44 H new ATOM 0 HD3 LYS A 74 8.627 -6.751 -31.958 1.00 34.44 H new ATOM 0 HE2 LYS A 74 6.904 -8.093 -31.219 1.00 41.15 H new ATOM 0 HE3 LYS A 74 6.072 -7.264 -32.519 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 5.705 -9.643 -32.619 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 6.567 -9.132 -33.989 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 7.374 -9.935 -32.729 1.00 30.01 H new ATOM 1116 N LEU A 75 7.438 -1.950 -33.839 1.00 52.50 N ATOM 1117 CA LEU A 75 6.971 -0.696 -33.257 1.00 65.55 C ATOM 1118 C LEU A 75 6.044 0.038 -34.220 1.00 75.21 C ATOM 1119 O LEU A 75 5.211 0.843 -33.804 1.00 64.44 O ATOM 1120 CB LEU A 75 8.161 0.196 -32.898 1.00 21.23 C ATOM 1121 CG LEU A 75 8.506 0.286 -31.411 1.00 41.12 C ATOM 1122 CD1 LEU A 75 7.444 1.078 -30.663 1.00 62.14 C ATOM 1123 CD2 LEU A 75 8.656 -1.104 -30.812 1.00 51.32 C ATOM 0 H LEU A 75 8.446 -1.996 -33.988 1.00 52.50 H new ATOM 0 HA LEU A 75 6.413 -0.930 -32.350 1.00 65.55 H new ATOM 0 HB2 LEU A 75 9.038 -0.169 -33.433 1.00 21.23 H new ATOM 0 HB3 LEU A 75 7.960 1.202 -33.266 1.00 21.23 H new ATOM 0 HG LEU A 75 9.458 0.808 -31.311 1.00 41.12 H new ATOM 0 HD11 LEU A 75 7.707 1.131 -29.606 1.00 62.14 H new ATOM 0 HD12 LEU A 75 7.385 2.086 -31.074 1.00 62.14 H new ATOM 0 HD13 LEU A 75 6.478 0.585 -30.772 1.00 62.14 H new ATOM 0 HD21 LEU A 75 8.901 -1.019 -29.753 1.00 51.32 H new ATOM 0 HD22 LEU A 75 7.720 -1.652 -30.925 1.00 51.32 H new ATOM 0 HD23 LEU A 75 9.454 -1.638 -31.328 1.00 51.32 H new ATOM 1135 N GLY A 76 6.192 -0.245 -35.511 1.00 21.42 N ATOM 1136 CA GLY A 76 5.360 0.395 -36.512 1.00 10.52 C ATOM 1137 C GLY A 76 6.118 0.696 -37.790 1.00 14.51 C ATOM 1138 O GLY A 76 7.342 0.817 -37.779 1.00 71.33 O ATOM 0 H GLY A 76 6.874 -0.907 -35.881 1.00 21.42 H new ATOM 0 HA2 GLY A 76 4.511 -0.249 -36.740 1.00 10.52 H new ATOM 0 HA3 GLY A 76 4.956 1.322 -36.106 1.00 10.52 H new ATOM 1142 N GLU A 77 5.388 0.815 -38.894 1.00 31.22 N ATOM 1143 CA GLU A 77 6.001 1.100 -40.187 1.00 3.31 C ATOM 1144 C GLU A 77 5.466 2.407 -40.766 1.00 55.51 C ATOM 1145 O GLU A 77 4.381 2.873 -40.414 1.00 65.31 O ATOM 1146 CB GLU A 77 5.740 -0.048 -41.164 1.00 60.22 C ATOM 1147 CG GLU A 77 4.327 -0.601 -41.092 1.00 64.43 C ATOM 1148 CD GLU A 77 3.990 -1.495 -42.269 1.00 52.41 C ATOM 1149 OE1 GLU A 77 2.964 -1.238 -42.933 1.00 31.24 O ATOM 1150 OE2 GLU A 77 4.750 -2.452 -42.525 1.00 22.41 O1- ATOM 0 H GLU A 77 4.373 0.719 -38.920 1.00 31.22 H new ATOM 0 HA GLU A 77 7.076 1.202 -40.037 1.00 3.31 H new ATOM 0 HB2 GLU A 77 5.934 0.299 -42.179 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.447 -0.853 -40.962 1.00 60.22 H new ATOM 0 HG2 GLU A 77 4.208 -1.165 -40.167 1.00 64.43 H new ATOM 0 HG3 GLU A 77 3.618 0.226 -41.054 1.00 64.43 H new ATOM 1157 N PRO A 78 6.244 3.013 -41.675 1.00 13.34 N ATOM 1158 CA PRO A 78 5.869 4.275 -42.322 1.00 21.23 C ATOM 1159 C PRO A 78 4.703 4.105 -43.289 1.00 62.01 C ATOM 1160 O PRO A 78 4.454 3.009 -43.791 1.00 42.25 O ATOM 1161 CB PRO A 78 7.138 4.674 -43.079 1.00 40.44 C ATOM 1162 CG PRO A 78 7.854 3.390 -43.324 1.00 2.43 C ATOM 1163 CD PRO A 78 7.548 2.514 -42.140 1.00 41.44 C ATOM 0 HA PRO A 78 5.534 5.020 -41.601 1.00 21.23 H new ATOM 0 HB2 PRO A 78 6.898 5.178 -44.015 1.00 40.44 H new ATOM 0 HB3 PRO A 78 7.748 5.362 -42.494 1.00 40.44 H new ATOM 0 HG2 PRO A 78 7.517 2.926 -44.251 1.00 2.43 H new ATOM 0 HG3 PRO A 78 8.927 3.554 -43.422 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.499 1.462 -42.421 1.00 41.44 H new ATOM 0 HD3 PRO A 78 8.311 2.602 -41.367 1.00 41.44 H new ATOM 1171 N SER A 79 3.991 5.198 -43.546 1.00 1.54 N ATOM 1172 CA SER A 79 2.848 5.170 -44.451 1.00 22.12 C ATOM 1173 C SER A 79 3.281 5.471 -45.883 1.00 55.34 C ATOM 1174 O SER A 79 4.473 5.510 -46.188 1.00 42.34 O ATOM 1175 CB SER A 79 1.790 6.180 -44.003 1.00 75.41 C ATOM 1176 OG SER A 79 0.507 5.823 -44.487 1.00 71.31 O ATOM 0 H SER A 79 4.186 6.113 -43.140 1.00 1.54 H new ATOM 0 HA SER A 79 2.419 4.169 -44.423 1.00 22.12 H new ATOM 0 HB2 SER A 79 1.770 6.232 -42.914 1.00 75.41 H new ATOM 0 HB3 SER A 79 2.055 7.174 -44.365 1.00 75.41 H new ATOM 0 HG SER A 79 -0.152 6.483 -44.186 1.00 71.31 H new ATOM 1182 N ASP A 80 2.304 5.683 -46.758 1.00 2.42 N ATOM 1183 CA ASP A 80 2.582 5.982 -48.158 1.00 64.33 C ATOM 1184 C ASP A 80 3.501 7.194 -48.283 1.00 41.21 C ATOM 1185 O ASP A 80 4.484 7.168 -49.023 1.00 61.31 O ATOM 1186 CB ASP A 80 1.278 6.235 -48.916 1.00 42.53 C ATOM 1187 CG ASP A 80 0.314 7.107 -48.137 1.00 72.41 C ATOM 1188 OD1 ASP A 80 0.332 8.339 -48.337 1.00 61.52 O ATOM 1189 OD2 ASP A 80 -0.460 6.557 -47.325 1.00 62.51 O1- ATOM 0 H ASP A 80 1.312 5.653 -46.522 1.00 2.42 H new ATOM 0 HA ASP A 80 3.086 5.120 -48.595 1.00 64.33 H new ATOM 0 HB2 ASP A 80 1.503 6.711 -49.871 1.00 42.53 H new ATOM 0 HB3 ASP A 80 0.801 5.281 -49.140 1.00 42.53 H new ATOM 1194 N LYS A 81 3.173 8.256 -47.555 1.00 63.24 N ATOM 1195 CA LYS A 81 3.967 9.478 -47.582 1.00 42.30 C ATOM 1196 C LYS A 81 5.431 9.182 -47.270 1.00 52.43 C ATOM 1197 O LYS A 81 6.315 9.452 -48.083 1.00 13.12 O ATOM 1198 CB LYS A 81 3.416 10.493 -46.579 1.00 24.44 C ATOM 1199 CG LYS A 81 1.948 10.823 -46.792 1.00 13.30 C ATOM 1200 CD LYS A 81 1.762 11.836 -47.909 1.00 11.42 C ATOM 1201 CE LYS A 81 2.006 13.256 -47.422 1.00 51.52 C ATOM 1202 NZ LYS A 81 1.662 14.265 -48.461 1.00 62.13 N1+ ATOM 0 H LYS A 81 2.361 8.295 -46.938 1.00 63.24 H new ATOM 0 HA LYS A 81 3.905 9.899 -48.585 1.00 42.30 H new ATOM 0 HB2 LYS A 81 3.550 10.103 -45.570 1.00 24.44 H new ATOM 0 HB3 LYS A 81 4.000 11.411 -46.646 1.00 24.44 H new ATOM 0 HG2 LYS A 81 1.400 9.912 -47.031 1.00 13.30 H new ATOM 0 HG3 LYS A 81 1.525 11.217 -45.868 1.00 13.30 H new ATOM 0 HD2 LYS A 81 2.447 11.608 -48.726 1.00 11.42 H new ATOM 0 HD3 LYS A 81 0.751 11.756 -48.309 1.00 11.42 H new ATOM 0 HE2 LYS A 81 1.412 13.440 -46.527 1.00 51.52 H new ATOM 0 HE3 LYS A 81 3.053 13.368 -47.139 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 1.842 15.220 -48.091 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 2.246 14.106 -49.307 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 0.657 14.175 -48.713 1.00 62.13 H new ATOM 1216 N GLU A 82 5.679 8.627 -46.088 1.00 13.40 N ATOM 1217 CA GLU A 82 7.036 8.295 -45.671 1.00 22.15 C ATOM 1218 C GLU A 82 7.664 7.278 -46.620 1.00 24.23 C ATOM 1219 O GLU A 82 8.883 7.238 -46.786 1.00 2.21 O ATOM 1220 CB GLU A 82 7.033 7.742 -44.244 1.00 53.12 C ATOM 1221 CG GLU A 82 7.157 8.815 -43.175 1.00 71.53 C ATOM 1222 CD GLU A 82 5.839 9.511 -42.892 1.00 12.30 C ATOM 1223 OE1 GLU A 82 4.990 8.912 -42.201 1.00 14.14 O ATOM 1224 OE2 GLU A 82 5.658 10.653 -43.363 1.00 32.01 O1- ATOM 0 H GLU A 82 4.959 8.398 -45.403 1.00 13.40 H new ATOM 0 HA GLU A 82 7.631 9.208 -45.699 1.00 22.15 H new ATOM 0 HB2 GLU A 82 6.111 7.184 -44.082 1.00 53.12 H new ATOM 0 HB3 GLU A 82 7.856 7.036 -44.135 1.00 53.12 H new ATOM 0 HG2 GLU A 82 7.531 8.365 -42.255 1.00 71.53 H new ATOM 0 HG3 GLU A 82 7.894 9.554 -43.491 1.00 71.53 H new ATOM 1231 N TYR A 83 6.823 6.460 -47.242 1.00 32.52 N ATOM 1232 CA TYR A 83 7.294 5.442 -48.172 1.00 21.41 C ATOM 1233 C TYR A 83 7.982 6.080 -49.376 1.00 74.33 C ATOM 1234 O TYR A 83 9.139 5.783 -49.674 1.00 30.25 O ATOM 1235 CB TYR A 83 6.129 4.569 -48.641 1.00 60.15 C ATOM 1236 CG TYR A 83 6.135 3.180 -48.044 1.00 3.54 C ATOM 1237 CD1 TYR A 83 6.164 2.995 -46.668 1.00 33.43 C ATOM 1238 CD2 TYR A 83 6.111 2.053 -48.856 1.00 72.12 C ATOM 1239 CE1 TYR A 83 6.170 1.728 -46.117 1.00 3.43 C ATOM 1240 CE2 TYR A 83 6.115 0.782 -48.314 1.00 71.42 C ATOM 1241 CZ TYR A 83 6.144 0.624 -46.945 1.00 11.20 C ATOM 1242 OH TYR A 83 6.150 -0.639 -46.401 1.00 41.13 O ATOM 0 H TYR A 83 5.811 6.482 -47.119 1.00 32.52 H new ATOM 0 HA TYR A 83 8.019 4.818 -47.649 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.191 5.061 -48.385 1.00 60.15 H new ATOM 0 HB3 TYR A 83 6.161 4.489 -49.728 1.00 60.15 H new ATOM 0 HD1 TYR A 83 6.182 3.857 -46.017 1.00 33.43 H new ATOM 0 HD2 TYR A 83 6.089 2.172 -49.929 1.00 72.12 H new ATOM 0 HE1 TYR A 83 6.195 1.602 -45.045 1.00 3.43 H new ATOM 0 HE2 TYR A 83 6.095 -0.083 -48.960 1.00 71.42 H new ATOM 0 HH TYR A 83 6.128 -1.305 -47.120 1.00 41.13 H new ATOM 1252 N ASP A 84 7.261 6.959 -50.063 1.00 24.14 N ATOM 1253 CA ASP A 84 7.800 7.643 -51.233 1.00 41.30 C ATOM 1254 C ASP A 84 8.944 8.573 -50.841 1.00 24.23 C ATOM 1255 O ASP A 84 9.951 8.667 -51.542 1.00 11.41 O ATOM 1256 CB ASP A 84 6.700 8.435 -51.939 1.00 33.25 C ATOM 1257 CG ASP A 84 6.916 8.518 -53.438 1.00 12.43 C ATOM 1258 OD1 ASP A 84 7.331 7.502 -54.034 1.00 71.12 O ATOM 1259 OD2 ASP A 84 6.670 9.597 -54.015 1.00 45.14 O1- ATOM 0 H ASP A 84 6.302 7.215 -49.830 1.00 24.14 H new ATOM 0 HA ASP A 84 8.189 6.888 -51.917 1.00 41.30 H new ATOM 0 HB2 ASP A 84 5.735 7.968 -51.739 1.00 33.25 H new ATOM 0 HB3 ASP A 84 6.659 9.442 -51.525 1.00 33.25 H new ATOM 1264 N LEU A 85 8.780 9.261 -49.716 1.00 20.31 N ATOM 1265 CA LEU A 85 9.797 10.186 -49.229 1.00 5.33 C ATOM 1266 C LEU A 85 11.135 9.476 -49.044 1.00 63.15 C ATOM 1267 O LEU A 85 12.165 9.932 -49.541 1.00 64.22 O ATOM 1268 CB LEU A 85 9.352 10.815 -47.907 1.00 32.10 C ATOM 1269 CG LEU A 85 8.260 11.880 -48.005 1.00 40.23 C ATOM 1270 CD1 LEU A 85 7.522 12.010 -46.682 1.00 13.40 C ATOM 1271 CD2 LEU A 85 8.856 13.218 -48.419 1.00 5.43 C ATOM 0 H LEU A 85 7.952 9.195 -49.124 1.00 20.31 H new ATOM 0 HA LEU A 85 9.924 10.972 -49.973 1.00 5.33 H new ATOM 0 HB2 LEU A 85 8.999 10.020 -47.250 1.00 32.10 H new ATOM 0 HB3 LEU A 85 10.224 11.260 -47.428 1.00 32.10 H new ATOM 0 HG LEU A 85 7.545 11.572 -48.768 1.00 40.23 H new ATOM 0 HD11 LEU A 85 6.748 12.773 -46.770 1.00 13.40 H new ATOM 0 HD12 LEU A 85 7.063 11.055 -46.426 1.00 13.40 H new ATOM 0 HD13 LEU A 85 8.225 12.296 -45.900 1.00 13.40 H new ATOM 0 HD21 LEU A 85 8.064 13.964 -48.484 1.00 5.43 H new ATOM 0 HD22 LEU A 85 9.592 13.533 -47.679 1.00 5.43 H new ATOM 0 HD23 LEU A 85 9.339 13.116 -49.391 1.00 5.43 H new ATOM 1283 N ILE A 86 11.110 8.358 -48.326 1.00 45.10 N ATOM 1284 CA ILE A 86 12.320 7.583 -48.079 1.00 32.42 C ATOM 1285 C ILE A 86 12.759 6.833 -49.332 1.00 52.13 C ATOM 1286 O ILE A 86 13.953 6.673 -49.585 1.00 14.31 O ATOM 1287 CB ILE A 86 12.117 6.573 -46.934 1.00 62.20 C ATOM 1288 CG1 ILE A 86 11.735 7.302 -45.644 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.378 5.747 -46.727 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.813 6.503 -44.749 1.00 63.41 C ATOM 0 H ILE A 86 10.266 7.969 -47.906 1.00 45.10 H new ATOM 0 HA ILE A 86 13.096 8.293 -47.794 1.00 32.42 H new ATOM 0 HB ILE A 86 11.304 5.899 -47.204 1.00 62.20 H new ATOM 0 HG12 ILE A 86 12.642 7.546 -45.092 1.00 10.12 H new ATOM 0 HG13 ILE A 86 11.253 8.246 -45.899 1.00 10.12 H new ATOM 0 HG21 ILE A 86 13.219 5.038 -45.915 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.611 5.204 -47.643 1.00 11.21 H new ATOM 0 HG23 ILE A 86 14.208 6.407 -46.475 1.00 11.21 H new ATOM 0 HD11 ILE A 86 10.584 7.081 -43.854 1.00 63.41 H new ATOM 0 HD12 ILE A 86 9.889 6.281 -45.284 1.00 63.41 H new ATOM 0 HD13 ILE A 86 11.300 5.571 -44.464 1.00 63.41 H new ATOM 1302 N ASP A 87 11.786 6.377 -50.113 1.00 50.21 N ATOM 1303 CA ASP A 87 12.072 5.646 -51.342 1.00 61.54 C ATOM 1304 C ASP A 87 12.846 6.518 -52.325 1.00 73.01 C ATOM 1305 O ASP A 87 13.464 6.013 -53.262 1.00 74.03 O ATOM 1306 CB ASP A 87 10.772 5.161 -51.986 1.00 35.13 C ATOM 1307 CG ASP A 87 10.995 4.560 -53.359 1.00 41.55 C ATOM 1308 OD1 ASP A 87 10.194 4.852 -54.272 1.00 61.45 O ATOM 1309 OD2 ASP A 87 11.971 3.798 -53.521 1.00 51.34 O1- ATOM 0 H ASP A 87 10.793 6.501 -49.917 1.00 50.21 H new ATOM 0 HA ASP A 87 12.687 4.783 -51.088 1.00 61.54 H new ATOM 0 HB2 ASP A 87 10.305 4.418 -51.339 1.00 35.13 H new ATOM 0 HB3 ASP A 87 10.076 5.996 -52.067 1.00 35.13 H new ATOM 1314 N GLN A 88 12.807 7.828 -52.105 1.00 32.35 N ATOM 1315 CA GLN A 88 13.505 8.770 -52.973 1.00 71.22 C ATOM 1316 C GLN A 88 15.005 8.759 -52.693 1.00 44.01 C ATOM 1317 O GLN A 88 15.808 9.113 -53.556 1.00 30.30 O ATOM 1318 CB GLN A 88 12.948 10.181 -52.781 1.00 71.55 C ATOM 1319 CG GLN A 88 11.618 10.411 -53.480 1.00 72.24 C ATOM 1320 CD GLN A 88 11.774 11.101 -54.820 1.00 74.11 C ATOM 1321 OE1 GLN A 88 12.089 10.465 -55.827 1.00 14.12 O ATOM 1322 NE2 GLN A 88 11.554 12.411 -54.841 1.00 31.43 N ATOM 0 H GLN A 88 12.300 8.261 -51.334 1.00 32.35 H new ATOM 0 HA GLN A 88 13.345 8.462 -54.006 1.00 71.22 H new ATOM 0 HB2 GLN A 88 12.826 10.373 -51.715 1.00 71.55 H new ATOM 0 HB3 GLN A 88 13.674 10.903 -53.154 1.00 71.55 H new ATOM 0 HG2 GLN A 88 11.118 9.453 -53.625 1.00 72.24 H new ATOM 0 HG3 GLN A 88 10.974 11.013 -52.839 1.00 72.24 H new ATOM 0 HE21 GLN A 88 11.295 12.898 -53.983 1.00 31.43 H new ATOM 0 HE22 GLN A 88 11.644 12.929 -55.715 1.00 31.43 H new ATOM 1331 N ALA A 89 15.373 8.351 -51.484 1.00 43.05 N ATOM 1332 CA ALA A 89 16.776 8.293 -51.092 1.00 33.15 C ATOM 1333 C ALA A 89 17.419 6.985 -51.540 1.00 24.14 C ATOM 1334 O ALA A 89 16.764 5.943 -51.580 1.00 71.13 O ATOM 1335 CB ALA A 89 16.911 8.460 -49.585 1.00 12.20 C ATOM 0 H ALA A 89 14.720 8.056 -50.759 1.00 43.05 H new ATOM 0 HA ALA A 89 17.299 9.112 -51.586 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.964 8.415 -49.307 1.00 12.20 H new ATOM 0 HB2 ALA A 89 16.498 9.424 -49.287 1.00 12.20 H new ATOM 0 HB3 ALA A 89 16.368 7.661 -49.080 1.00 12.20 H new ATOM 1341 N PHE A 90 18.701 7.047 -51.879 1.00 74.20 N ATOM 1342 CA PHE A 90 19.432 5.866 -52.327 1.00 75.52 C ATOM 1343 C PHE A 90 19.675 4.905 -51.167 1.00 71.45 C ATOM 1344 O PHE A 90 20.280 5.270 -50.161 1.00 12.24 O ATOM 1345 CB PHE A 90 20.766 6.274 -52.955 1.00 64.23 C ATOM 1346 CG PHE A 90 20.653 6.667 -54.401 1.00 13.13 C ATOM 1347 CD1 PHE A 90 21.011 5.781 -55.403 1.00 30.42 C ATOM 1348 CD2 PHE A 90 20.188 7.923 -54.756 1.00 65.35 C ATOM 1349 CE1 PHE A 90 20.908 6.139 -56.735 1.00 45.43 C ATOM 1350 CE2 PHE A 90 20.083 8.287 -56.085 1.00 31.34 C ATOM 1351 CZ PHE A 90 20.444 7.394 -57.075 1.00 1.02 C ATOM 0 H PHE A 90 19.257 7.902 -51.853 1.00 74.20 H new ATOM 0 HA PHE A 90 18.827 5.357 -53.077 1.00 75.52 H new ATOM 0 HB2 PHE A 90 21.184 7.108 -52.392 1.00 64.23 H new ATOM 0 HB3 PHE A 90 21.469 5.446 -52.866 1.00 64.23 H new ATOM 0 HD1 PHE A 90 21.375 4.798 -55.141 1.00 30.42 H new ATOM 0 HD2 PHE A 90 19.905 8.625 -53.986 1.00 65.35 H new ATOM 0 HE1 PHE A 90 21.190 5.439 -57.507 1.00 45.43 H new ATOM 0 HE2 PHE A 90 19.719 9.269 -56.349 1.00 31.34 H new ATOM 0 HZ PHE A 90 20.363 7.677 -58.114 1.00 1.02 H new ATOM 1361 N GLY A 91 19.197 3.673 -51.317 1.00 12.51 N ATOM 1362 CA GLY A 91 19.372 2.678 -50.276 1.00 14.41 C ATOM 1363 C GLY A 91 18.912 3.172 -48.919 1.00 73.13 C ATOM 1364 O GLY A 91 19.601 2.986 -47.917 1.00 4.35 O ATOM 0 H GLY A 91 18.692 3.347 -52.141 1.00 12.51 H new ATOM 0 HA2 GLY A 91 18.815 1.779 -50.540 1.00 14.41 H new ATOM 0 HA3 GLY A 91 20.424 2.397 -50.220 1.00 14.41 H new ATOM 1368 N ALA A 92 17.743 3.805 -48.886 1.00 4.24 N ATOM 1369 CA ALA A 92 17.192 4.327 -47.642 1.00 70.22 C ATOM 1370 C ALA A 92 16.119 3.398 -47.084 1.00 24.25 C ATOM 1371 O ALA A 92 15.151 3.067 -47.769 1.00 13.15 O ATOM 1372 CB ALA A 92 16.622 5.721 -47.861 1.00 0.13 C ATOM 0 H ALA A 92 17.160 3.968 -49.707 1.00 4.24 H new ATOM 0 HA ALA A 92 18.000 4.386 -46.913 1.00 70.22 H new ATOM 0 HB1 ALA A 92 16.214 6.099 -46.924 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.412 6.387 -48.207 1.00 0.13 H new ATOM 0 HB3 ALA A 92 15.831 5.677 -48.610 1.00 0.13 H new ATOM 1378 N THR A 93 16.299 2.978 -45.835 1.00 45.11 N ATOM 1379 CA THR A 93 15.348 2.084 -45.185 1.00 43.04 C ATOM 1380 C THR A 93 14.331 2.867 -44.363 1.00 51.13 C ATOM 1381 O THR A 93 14.661 3.886 -43.758 1.00 12.44 O ATOM 1382 CB THR A 93 16.063 1.073 -44.269 1.00 14.42 C ATOM 1383 OG1 THR A 93 17.429 0.929 -44.671 1.00 31.50 O ATOM 1384 CG2 THR A 93 15.371 -0.281 -44.314 1.00 75.11 C ATOM 0 H THR A 93 17.094 3.243 -45.254 1.00 45.11 H new ATOM 0 HA THR A 93 14.831 1.542 -45.977 1.00 43.04 H new ATOM 0 HB THR A 93 16.023 1.450 -43.247 1.00 14.42 H new ATOM 0 HG1 THR A 93 17.877 0.286 -44.083 1.00 31.50 H new ATOM 0 HG21 THR A 93 15.894 -0.979 -43.659 1.00 75.11 H new ATOM 0 HG22 THR A 93 14.339 -0.173 -43.980 1.00 75.11 H new ATOM 0 HG23 THR A 93 15.384 -0.662 -45.335 1.00 75.11 H new ATOM 1392 N GLY A 94 13.093 2.384 -44.345 1.00 64.34 N ATOM 1393 CA GLY A 94 12.046 3.052 -43.594 1.00 73.52 C ATOM 1394 C GLY A 94 12.407 3.231 -42.132 1.00 11.42 C ATOM 1395 O GLY A 94 11.896 4.131 -41.464 1.00 75.13 O ATOM 0 H GLY A 94 12.796 1.542 -44.837 1.00 64.34 H new ATOM 0 HA2 GLY A 94 11.849 4.027 -44.039 1.00 73.52 H new ATOM 0 HA3 GLY A 94 11.124 2.476 -43.670 1.00 73.52 H new ATOM 1399 N THR A 95 13.290 2.373 -41.632 1.00 3.02 N ATOM 1400 CA THR A 95 13.716 2.438 -40.240 1.00 45.00 C ATOM 1401 C THR A 95 14.661 3.613 -40.010 1.00 1.41 C ATOM 1402 O THR A 95 15.098 3.858 -38.885 1.00 53.40 O ATOM 1403 CB THR A 95 14.419 1.138 -39.806 1.00 64.24 C ATOM 1404 OG1 THR A 95 15.702 1.039 -40.433 1.00 24.23 O ATOM 1405 CG2 THR A 95 13.578 -0.077 -40.167 1.00 23.25 C ATOM 0 H THR A 95 13.725 1.624 -42.171 1.00 3.02 H new ATOM 0 HA THR A 95 12.816 2.574 -39.640 1.00 45.00 H new ATOM 0 HB THR A 95 14.547 1.165 -38.724 1.00 64.24 H new ATOM 0 HG1 THR A 95 16.142 0.210 -40.149 1.00 24.23 H new ATOM 0 HG21 THR A 95 14.094 -0.984 -39.851 1.00 23.25 H new ATOM 0 HG22 THR A 95 12.613 -0.014 -39.663 1.00 23.25 H new ATOM 0 HG23 THR A 95 13.423 -0.105 -41.246 1.00 23.25 H new ATOM 1413 N SER A 96 14.972 4.336 -41.081 1.00 4.44 N ATOM 1414 CA SER A 96 15.866 5.483 -40.995 1.00 60.11 C ATOM 1415 C SER A 96 15.083 6.766 -40.730 1.00 71.41 C ATOM 1416 O SER A 96 15.658 7.799 -40.389 1.00 10.54 O ATOM 1417 CB SER A 96 16.675 5.624 -42.286 1.00 33.34 C ATOM 1418 OG SER A 96 17.930 6.234 -42.038 1.00 54.01 O ATOM 0 H SER A 96 14.617 4.147 -42.019 1.00 4.44 H new ATOM 0 HA SER A 96 16.549 5.317 -40.162 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.827 4.641 -42.733 1.00 33.34 H new ATOM 0 HB3 SER A 96 16.114 6.219 -43.007 1.00 33.34 H new ATOM 0 HG SER A 96 17.996 7.067 -42.550 1.00 54.01 H new ATOM 1424 N ARG A 97 13.766 6.690 -40.890 1.00 14.14 N ATOM 1425 CA ARG A 97 12.901 7.843 -40.670 1.00 44.44 C ATOM 1426 C ARG A 97 11.572 7.418 -40.055 1.00 41.24 C ATOM 1427 O ARG A 97 10.974 6.424 -40.470 1.00 64.24 O ATOM 1428 CB ARG A 97 12.653 8.580 -41.987 1.00 70.20 C ATOM 1429 CG ARG A 97 12.384 10.066 -41.813 1.00 33.41 C ATOM 1430 CD ARG A 97 11.895 10.700 -43.106 1.00 21.13 C ATOM 1431 NE ARG A 97 11.143 11.927 -42.863 1.00 44.32 N ATOM 1432 CZ ARG A 97 10.880 12.826 -43.805 1.00 45.23 C ATOM 1433 NH1 ARG A 97 11.306 12.636 -45.046 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 10.188 13.918 -43.507 1.00 33.05 N ATOM 0 H ARG A 97 13.274 5.842 -41.171 1.00 14.14 H new ATOM 0 HA ARG A 97 13.404 8.514 -39.974 1.00 44.44 H new ATOM 0 HB2 ARG A 97 13.520 8.450 -42.635 1.00 70.20 H new ATOM 0 HB3 ARG A 97 11.804 8.123 -42.495 1.00 70.20 H new ATOM 0 HG2 ARG A 97 11.639 10.213 -41.031 1.00 33.41 H new ATOM 0 HG3 ARG A 97 13.295 10.565 -41.484 1.00 33.41 H new ATOM 0 HD2 ARG A 97 12.748 10.919 -43.748 1.00 21.13 H new ATOM 0 HD3 ARG A 97 11.266 9.990 -43.643 1.00 21.13 H new ATOM 0 HE ARG A 97 10.801 12.104 -41.919 1.00 44.32 H new ATOM 0 HH11 ARG A 97 11.837 11.797 -45.280 1.00 54.10 H new ATOM 0 HH12 ARG A 97 11.102 13.328 -45.767 1.00 54.10 H new ATOM 0 HH21 ARG A 97 9.857 14.068 -42.554 1.00 33.05 H new ATOM 0 HH22 ARG A 97 9.987 14.608 -44.231 1.00 33.05 H new ATOM 1448 N LEU A 98 11.115 8.175 -39.064 1.00 2.12 N ATOM 1449 CA LEU A 98 9.855 7.875 -38.391 1.00 73.45 C ATOM 1450 C LEU A 98 9.014 9.137 -38.223 1.00 21.34 C ATOM 1451 O LEU A 98 7.905 9.229 -38.746 1.00 13.34 O ATOM 1452 CB LEU A 98 10.123 7.241 -37.024 1.00 23.22 C ATOM 1453 CG LEU A 98 8.996 6.379 -36.453 1.00 64.21 C ATOM 1454 CD1 LEU A 98 9.488 5.589 -35.249 1.00 54.22 C ATOM 1455 CD2 LEU A 98 7.803 7.244 -36.074 1.00 44.21 C ATOM 0 H LEU A 98 11.597 9.001 -38.708 1.00 2.12 H new ATOM 0 HA LEU A 98 9.299 7.170 -39.009 1.00 73.45 H new ATOM 0 HB2 LEU A 98 11.021 6.627 -37.100 1.00 23.22 H new ATOM 0 HB3 LEU A 98 10.341 8.037 -36.312 1.00 23.22 H new ATOM 0 HG LEU A 98 8.678 5.673 -37.221 1.00 64.21 H new ATOM 0 HD11 LEU A 98 8.673 4.981 -34.855 1.00 54.22 H new ATOM 0 HD12 LEU A 98 10.311 4.941 -35.551 1.00 54.22 H new ATOM 0 HD13 LEU A 98 9.832 6.278 -34.478 1.00 54.22 H new ATOM 0 HD21 LEU A 98 7.011 6.614 -35.670 1.00 44.21 H new ATOM 0 HD22 LEU A 98 8.106 7.973 -35.323 1.00 44.21 H new ATOM 0 HD23 LEU A 98 7.436 7.765 -36.958 1.00 44.21 H new ATOM 1467 N GLY A 99 9.553 10.108 -37.491 1.00 65.55 N ATOM 1468 CA GLY A 99 8.838 11.352 -37.269 1.00 71.01 C ATOM 1469 C GLY A 99 9.360 12.113 -36.066 1.00 52.33 C ATOM 1470 O GLY A 99 10.273 12.931 -36.188 1.00 62.04 O ATOM 0 H GLY A 99 10.470 10.056 -37.048 1.00 65.55 H new ATOM 0 HA2 GLY A 99 8.922 11.979 -38.156 1.00 71.01 H new ATOM 0 HA3 GLY A 99 7.778 11.139 -37.129 1.00 71.01 H new ATOM 1474 N CYS A 100 8.780 11.845 -34.901 1.00 23.20 N ATOM 1475 CA CYS A 100 9.189 12.512 -33.672 1.00 42.23 C ATOM 1476 C CYS A 100 8.774 11.701 -32.448 1.00 61.43 C ATOM 1477 O CYS A 100 7.588 11.591 -32.138 1.00 22.54 O ATOM 1478 CB CYS A 100 8.579 13.913 -33.599 1.00 12.14 C ATOM 1479 SG CYS A 100 9.709 15.244 -34.121 1.00 33.11 S ATOM 0 H CYS A 100 8.025 11.170 -34.783 1.00 23.20 H new ATOM 0 HA CYS A 100 10.276 12.596 -33.679 1.00 42.23 H new ATOM 0 HB2 CYS A 100 7.687 13.942 -34.224 1.00 12.14 H new ATOM 0 HB3 CYS A 100 8.257 14.105 -32.575 1.00 12.14 H new ATOM 0 HG CYS A 100 10.924 14.784 -34.179 1.00 33.11 H new ATOM 1484 N GLN A 101 9.759 11.133 -31.758 1.00 51.23 N ATOM 1485 CA GLN A 101 9.494 10.331 -30.570 1.00 32.50 C ATOM 1486 C GLN A 101 10.394 10.757 -29.414 1.00 24.44 C ATOM 1487 O GLN A 101 11.620 10.675 -29.505 1.00 62.34 O ATOM 1488 CB GLN A 101 9.703 8.847 -30.873 1.00 54.33 C ATOM 1489 CG GLN A 101 9.042 8.391 -32.165 1.00 51.15 C ATOM 1490 CD GLN A 101 9.956 8.526 -33.367 1.00 64.22 C ATOM 1491 OE1 GLN A 101 9.669 9.280 -34.298 1.00 14.41 O ATOM 1492 NE2 GLN A 101 11.065 7.796 -33.353 1.00 64.44 N ATOM 0 H GLN A 101 10.746 11.214 -32.001 1.00 51.23 H new ATOM 0 HA GLN A 101 8.456 10.492 -30.278 1.00 32.50 H new ATOM 0 HB2 GLN A 101 10.772 8.643 -30.930 1.00 54.33 H new ATOM 0 HB3 GLN A 101 9.310 8.257 -30.045 1.00 54.33 H new ATOM 0 HG2 GLN A 101 8.733 7.351 -32.063 1.00 51.15 H new ATOM 0 HG3 GLN A 101 8.138 8.977 -32.333 1.00 51.15 H new ATOM 0 HE21 GLN A 101 11.263 7.185 -32.561 1.00 64.44 H new ATOM 0 HE22 GLN A 101 11.719 7.847 -34.134 1.00 64.44 H new ATOM 1501 N LEU A 102 9.779 11.213 -28.329 1.00 65.25 N ATOM 1502 CA LEU A 102 10.525 11.653 -27.154 1.00 63.32 C ATOM 1503 C LEU A 102 9.975 11.007 -25.887 1.00 43.03 C ATOM 1504 O LEU A 102 9.922 11.636 -24.831 1.00 43.45 O ATOM 1505 CB LEU A 102 10.467 13.176 -27.031 1.00 54.24 C ATOM 1506 CG LEU A 102 9.115 13.824 -27.335 1.00 12.13 C ATOM 1507 CD1 LEU A 102 8.096 13.458 -26.267 1.00 65.13 C ATOM 1508 CD2 LEU A 102 9.260 15.335 -27.441 1.00 5.14 C ATOM 0 H LEU A 102 8.766 11.288 -28.238 1.00 65.25 H new ATOM 0 HA LEU A 102 11.563 11.344 -27.275 1.00 63.32 H new ATOM 0 HB2 LEU A 102 10.759 13.450 -26.017 1.00 54.24 H new ATOM 0 HB3 LEU A 102 11.211 13.603 -27.703 1.00 54.24 H new ATOM 0 HG LEU A 102 8.759 13.445 -28.293 1.00 12.13 H new ATOM 0 HD11 LEU A 102 7.140 13.928 -26.500 1.00 65.13 H new ATOM 0 HD12 LEU A 102 7.971 12.376 -26.239 1.00 65.13 H new ATOM 0 HD13 LEU A 102 8.445 13.808 -25.296 1.00 65.13 H new ATOM 0 HD21 LEU A 102 8.289 15.779 -27.658 1.00 5.14 H new ATOM 0 HD22 LEU A 102 9.638 15.731 -26.499 1.00 5.14 H new ATOM 0 HD23 LEU A 102 9.957 15.578 -28.243 1.00 5.14 H new ATOM 1520 N ARG A 103 9.569 9.747 -25.999 1.00 52.25 N ATOM 1521 CA ARG A 103 9.024 9.014 -24.862 1.00 12.23 C ATOM 1522 C ARG A 103 9.575 7.593 -24.816 1.00 22.20 C ATOM 1523 O ARG A 103 9.855 6.990 -25.853 1.00 3.34 O ATOM 1524 CB ARG A 103 7.496 8.980 -24.936 1.00 33.05 C ATOM 1525 CG ARG A 103 6.829 10.202 -24.327 1.00 62.04 C ATOM 1526 CD ARG A 103 6.979 10.222 -22.814 1.00 70.21 C ATOM 1527 NE ARG A 103 7.010 11.584 -22.286 1.00 53.42 N ATOM 1528 CZ ARG A 103 5.923 12.324 -22.099 1.00 21.50 C ATOM 1529 NH1 ARG A 103 4.726 11.838 -22.396 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 6.033 13.554 -21.614 1.00 43.51 N ATOM 0 H ARG A 103 9.607 9.212 -26.866 1.00 52.25 H new ATOM 0 HA ARG A 103 9.325 9.530 -23.950 1.00 12.23 H new ATOM 0 HB2 ARG A 103 7.193 8.894 -25.980 1.00 33.05 H new ATOM 0 HB3 ARG A 103 7.136 8.087 -24.425 1.00 33.05 H new ATOM 0 HG2 ARG A 103 7.268 11.106 -24.749 1.00 62.04 H new ATOM 0 HG3 ARG A 103 5.771 10.209 -24.589 1.00 62.04 H new ATOM 0 HD2 ARG A 103 6.152 9.676 -22.360 1.00 70.21 H new ATOM 0 HD3 ARG A 103 7.896 9.703 -22.533 1.00 70.21 H new ATOM 0 HE ARG A 103 7.916 11.989 -22.048 1.00 53.42 H new ATOM 0 HH11 ARG A 103 4.638 10.893 -22.769 1.00 52.01 H new ATOM 0 HH12 ARG A 103 3.893 12.409 -22.251 1.00 52.01 H new ATOM 0 HH21 ARG A 103 6.952 13.931 -21.385 1.00 43.51 H new ATOM 0 HH22 ARG A 103 5.198 14.122 -21.470 1.00 43.51 H new ATOM 1544 N VAL A 104 9.728 7.061 -23.608 1.00 21.01 N ATOM 1545 CA VAL A 104 10.245 5.711 -23.426 1.00 23.15 C ATOM 1546 C VAL A 104 9.126 4.737 -23.069 1.00 51.50 C ATOM 1547 O VAL A 104 8.333 4.994 -22.164 1.00 20.41 O ATOM 1548 CB VAL A 104 11.321 5.664 -22.325 1.00 3.52 C ATOM 1549 CG1 VAL A 104 11.807 4.239 -22.114 1.00 0.25 C ATOM 1550 CG2 VAL A 104 12.481 6.586 -22.675 1.00 72.24 C ATOM 0 H VAL A 104 9.501 7.546 -22.740 1.00 21.01 H new ATOM 0 HA VAL A 104 10.693 5.414 -24.374 1.00 23.15 H new ATOM 0 HB VAL A 104 10.878 6.013 -21.392 1.00 3.52 H new ATOM 0 HG11 VAL A 104 12.567 4.226 -21.333 1.00 0.25 H new ATOM 0 HG12 VAL A 104 10.969 3.609 -21.816 1.00 0.25 H new ATOM 0 HG13 VAL A 104 12.234 3.859 -23.042 1.00 0.25 H new ATOM 0 HG21 VAL A 104 13.232 6.541 -21.887 1.00 72.24 H new ATOM 0 HG22 VAL A 104 12.926 6.269 -23.619 1.00 72.24 H new ATOM 0 HG23 VAL A 104 12.117 7.609 -22.771 1.00 72.24 H new ATOM 1560 N ASP A 105 9.070 3.621 -23.786 1.00 71.13 N ATOM 1561 CA ASP A 105 8.050 2.608 -23.544 1.00 40.04 C ATOM 1562 C ASP A 105 8.655 1.208 -23.577 1.00 72.04 C ATOM 1563 O ASP A 105 9.770 1.013 -24.062 1.00 10.30 O ATOM 1564 CB ASP A 105 6.933 2.719 -24.583 1.00 44.20 C ATOM 1565 CG ASP A 105 7.463 2.711 -26.004 1.00 65.14 C ATOM 1566 OD1 ASP A 105 8.396 1.931 -26.286 1.00 23.23 O ATOM 1567 OD2 ASP A 105 6.943 3.487 -26.834 1.00 33.31 O1- ATOM 0 H ASP A 105 9.719 3.395 -24.540 1.00 71.13 H new ATOM 0 HA ASP A 105 7.631 2.780 -22.552 1.00 40.04 H new ATOM 0 HB2 ASP A 105 6.236 1.891 -24.453 1.00 44.20 H new ATOM 0 HB3 ASP A 105 6.372 3.638 -24.412 1.00 44.20 H new ATOM 1572 N LYS A 106 7.914 0.235 -23.057 1.00 24.41 N ATOM 1573 CA LYS A 106 8.376 -1.147 -23.026 1.00 72.51 C ATOM 1574 C LYS A 106 8.760 -1.623 -24.423 1.00 64.01 C ATOM 1575 O LYS A 106 9.590 -2.519 -24.577 1.00 34.22 O ATOM 1576 CB LYS A 106 7.290 -2.056 -22.446 1.00 13.33 C ATOM 1577 CG LYS A 106 6.138 -2.315 -23.402 1.00 33.41 C ATOM 1578 CD LYS A 106 4.844 -2.589 -22.654 1.00 30.24 C ATOM 1579 CE LYS A 106 3.630 -2.380 -23.547 1.00 13.42 C ATOM 1580 NZ LYS A 106 2.395 -2.132 -22.753 1.00 24.12 N1+ ATOM 0 H LYS A 106 6.990 0.379 -22.651 1.00 24.41 H new ATOM 0 HA LYS A 106 9.259 -1.195 -22.389 1.00 72.51 H new ATOM 0 HB2 LYS A 106 7.738 -3.009 -22.164 1.00 13.33 H new ATOM 0 HB3 LYS A 106 6.900 -1.605 -21.534 1.00 13.33 H new ATOM 0 HG2 LYS A 106 6.006 -1.453 -24.056 1.00 33.41 H new ATOM 0 HG3 LYS A 106 6.378 -3.166 -24.040 1.00 33.41 H new ATOM 0 HD2 LYS A 106 4.849 -3.612 -22.278 1.00 30.24 H new ATOM 0 HD3 LYS A 106 4.777 -1.932 -21.787 1.00 30.24 H new ATOM 0 HE2 LYS A 106 3.810 -1.536 -24.213 1.00 13.42 H new ATOM 0 HE3 LYS A 106 3.487 -3.258 -24.177 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 1.590 -1.994 -23.397 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 2.209 -2.948 -22.136 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 2.522 -1.280 -22.171 1.00 24.12 H new ATOM 1594 N SER A 107 8.152 -1.018 -25.438 1.00 1.32 N ATOM 1595 CA SER A 107 8.428 -1.383 -26.822 1.00 32.25 C ATOM 1596 C SER A 107 9.888 -1.114 -27.173 1.00 64.51 C ATOM 1597 O SER A 107 10.469 -1.788 -28.025 1.00 35.32 O ATOM 1598 CB SER A 107 7.513 -0.603 -27.769 1.00 25.21 C ATOM 1599 OG SER A 107 6.470 0.038 -27.057 1.00 60.12 O ATOM 0 H SER A 107 7.465 -0.272 -25.328 1.00 1.32 H new ATOM 0 HA SER A 107 8.235 -2.450 -26.937 1.00 32.25 H new ATOM 0 HB2 SER A 107 8.096 0.140 -28.313 1.00 25.21 H new ATOM 0 HB3 SER A 107 7.089 -1.281 -28.510 1.00 25.21 H new ATOM 0 HG SER A 107 5.901 0.531 -27.684 1.00 60.12 H new ATOM 1605 N PHE A 108 10.477 -0.123 -26.511 1.00 54.12 N ATOM 1606 CA PHE A 108 11.870 0.236 -26.752 1.00 31.34 C ATOM 1607 C PHE A 108 12.799 -0.526 -25.813 1.00 52.43 C ATOM 1608 O PHE A 108 13.981 -0.203 -25.695 1.00 20.31 O ATOM 1609 CB PHE A 108 12.068 1.743 -26.572 1.00 33.33 C ATOM 1610 CG PHE A 108 11.201 2.574 -27.475 1.00 11.41 C ATOM 1611 CD1 PHE A 108 10.629 3.750 -27.018 1.00 41.10 C ATOM 1612 CD2 PHE A 108 10.959 2.178 -28.780 1.00 23.10 C ATOM 1613 CE1 PHE A 108 9.831 4.517 -27.846 1.00 64.01 C ATOM 1614 CE2 PHE A 108 10.162 2.941 -29.613 1.00 0.32 C ATOM 1615 CZ PHE A 108 9.597 4.111 -29.145 1.00 71.21 C ATOM 0 H PHE A 108 10.011 0.446 -25.804 1.00 54.12 H new ATOM 0 HA PHE A 108 12.117 -0.037 -27.778 1.00 31.34 H new ATOM 0 HB2 PHE A 108 11.858 2.008 -25.536 1.00 33.33 H new ATOM 0 HB3 PHE A 108 13.113 1.989 -26.758 1.00 33.33 H new ATOM 0 HD1 PHE A 108 10.809 4.071 -26.003 1.00 41.10 H new ATOM 0 HD2 PHE A 108 11.398 1.263 -29.151 1.00 23.10 H new ATOM 0 HE1 PHE A 108 9.391 5.432 -27.478 1.00 64.01 H new ATOM 0 HE2 PHE A 108 9.981 2.622 -30.629 1.00 0.32 H new ATOM 0 HZ PHE A 108 8.973 4.708 -29.794 1.00 71.21 H new ATOM 1625 N GLU A 109 12.255 -1.540 -25.145 1.00 45.42 N ATOM 1626 CA GLU A 109 13.035 -2.347 -24.215 1.00 14.13 C ATOM 1627 C GLU A 109 14.210 -3.014 -24.926 1.00 53.04 C ATOM 1628 O GLU A 109 14.022 -3.897 -25.761 1.00 0.14 O ATOM 1629 CB GLU A 109 12.151 -3.411 -23.563 1.00 15.44 C ATOM 1630 CG GLU A 109 12.878 -4.261 -22.534 1.00 21.13 C ATOM 1631 CD GLU A 109 11.929 -5.001 -21.612 1.00 40.23 C ATOM 1632 OE1 GLU A 109 12.415 -5.735 -20.727 1.00 23.25 O ATOM 1633 OE2 GLU A 109 10.701 -4.846 -21.776 1.00 62.22 O1- ATOM 0 H GLU A 109 11.278 -1.821 -25.231 1.00 45.42 H new ATOM 0 HA GLU A 109 13.427 -1.686 -23.442 1.00 14.13 H new ATOM 0 HB2 GLU A 109 11.303 -2.922 -23.084 1.00 15.44 H new ATOM 0 HB3 GLU A 109 11.748 -4.061 -24.339 1.00 15.44 H new ATOM 0 HG2 GLU A 109 13.515 -4.981 -23.048 1.00 21.13 H new ATOM 0 HG3 GLU A 109 13.533 -3.624 -21.940 1.00 21.13 H new ATOM 1640 N ASN A 110 15.421 -2.583 -24.589 1.00 40.22 N ATOM 1641 CA ASN A 110 16.626 -3.136 -25.195 1.00 12.52 C ATOM 1642 C ASN A 110 16.664 -2.846 -26.692 1.00 14.11 C ATOM 1643 O ASN A 110 17.367 -3.518 -27.447 1.00 14.41 O ATOM 1644 CB ASN A 110 16.696 -4.645 -24.954 1.00 53.45 C ATOM 1645 CG ASN A 110 17.678 -5.012 -23.859 1.00 14.25 C ATOM 1646 OD1 ASN A 110 18.882 -4.791 -23.990 1.00 53.03 O ATOM 1647 ND2 ASN A 110 17.167 -5.575 -22.770 1.00 13.04 N ATOM 0 H ASN A 110 15.594 -1.852 -23.899 1.00 40.22 H new ATOM 0 HA ASN A 110 17.489 -2.660 -24.729 1.00 12.52 H new ATOM 0 HB2 ASN A 110 15.705 -5.014 -24.688 1.00 53.45 H new ATOM 0 HB3 ASN A 110 16.984 -5.145 -25.879 1.00 53.45 H new ATOM 0 HD21 ASN A 110 17.779 -5.843 -21.999 1.00 13.04 H new ATOM 0 HD22 ASN A 110 16.162 -5.740 -22.704 1.00 13.04 H new ATOM 1654 N ALA A 111 15.904 -1.840 -27.114 1.00 11.53 N ATOM 1655 CA ALA A 111 15.854 -1.460 -28.520 1.00 33.33 C ATOM 1656 C ALA A 111 17.183 -0.868 -28.977 1.00 12.12 C ATOM 1657 O ALA A 111 17.917 -0.278 -28.185 1.00 32.25 O ATOM 1658 CB ALA A 111 14.724 -0.468 -28.758 1.00 12.32 C ATOM 0 H ALA A 111 15.315 -1.274 -26.502 1.00 11.53 H new ATOM 0 HA ALA A 111 15.665 -2.359 -29.107 1.00 33.33 H new ATOM 0 HB1 ALA A 111 14.698 -0.192 -29.812 1.00 12.32 H new ATOM 0 HB2 ALA A 111 13.774 -0.924 -28.479 1.00 12.32 H new ATOM 0 HB3 ALA A 111 14.890 0.424 -28.154 1.00 12.32 H new ATOM 1664 N VAL A 112 17.487 -1.032 -30.261 1.00 73.01 N ATOM 1665 CA VAL A 112 18.728 -0.514 -30.824 1.00 70.21 C ATOM 1666 C VAL A 112 18.471 0.720 -31.681 1.00 23.10 C ATOM 1667 O VAL A 112 17.801 0.645 -32.711 1.00 15.11 O ATOM 1668 CB VAL A 112 19.445 -1.578 -31.677 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.820 -1.085 -32.103 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.553 -2.888 -30.913 1.00 42.04 C ATOM 0 H VAL A 112 16.891 -1.519 -30.930 1.00 73.01 H new ATOM 0 HA VAL A 112 19.367 -0.242 -29.984 1.00 70.21 H new ATOM 0 HB VAL A 112 18.855 -1.755 -32.576 1.00 32.45 H new ATOM 0 HG11 VAL A 112 21.311 -1.850 -32.704 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.714 -0.174 -32.692 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.422 -0.877 -31.219 1.00 55.14 H new ATOM 0 HG21 VAL A 112 20.062 -3.628 -31.530 1.00 42.04 H new ATOM 0 HG22 VAL A 112 20.120 -2.729 -29.996 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.555 -3.248 -30.664 1.00 42.04 H new ATOM 1680 N PHE A 113 19.009 1.857 -31.249 1.00 22.12 N ATOM 1681 CA PHE A 113 18.836 3.109 -31.978 1.00 61.43 C ATOM 1682 C PHE A 113 20.142 3.535 -32.642 1.00 43.11 C ATOM 1683 O PHE A 113 21.058 4.024 -31.980 1.00 11.30 O ATOM 1684 CB PHE A 113 18.347 4.209 -31.033 1.00 14.33 C ATOM 1685 CG PHE A 113 16.983 3.947 -30.463 1.00 71.43 C ATOM 1686 CD1 PHE A 113 16.797 2.979 -29.490 1.00 12.52 C ATOM 1687 CD2 PHE A 113 15.885 4.671 -30.901 1.00 14.45 C ATOM 1688 CE1 PHE A 113 15.543 2.736 -28.963 1.00 3.02 C ATOM 1689 CE2 PHE A 113 14.628 4.433 -30.378 1.00 40.02 C ATOM 1690 CZ PHE A 113 14.456 3.463 -29.409 1.00 54.32 C ATOM 0 H PHE A 113 19.567 1.937 -30.399 1.00 22.12 H new ATOM 0 HA PHE A 113 18.089 2.949 -32.756 1.00 61.43 H new ATOM 0 HB2 PHE A 113 19.059 4.317 -30.215 1.00 14.33 H new ATOM 0 HB3 PHE A 113 18.332 5.158 -31.570 1.00 14.33 H new ATOM 0 HD1 PHE A 113 17.643 2.407 -29.139 1.00 12.52 H new ATOM 0 HD2 PHE A 113 16.013 5.429 -31.659 1.00 14.45 H new ATOM 0 HE1 PHE A 113 15.413 1.979 -28.204 1.00 3.02 H new ATOM 0 HE2 PHE A 113 13.781 5.005 -30.726 1.00 40.02 H new ATOM 0 HZ PHE A 113 13.474 3.274 -29.001 1.00 54.32 H new ATOM 1700 N THR A 114 20.220 3.346 -33.955 1.00 30.22 N ATOM 1701 CA THR A 114 21.412 3.710 -34.710 1.00 45.33 C ATOM 1702 C THR A 114 21.275 5.100 -35.319 1.00 52.03 C ATOM 1703 O THR A 114 20.268 5.415 -35.955 1.00 43.22 O ATOM 1704 CB THR A 114 21.697 2.694 -35.834 1.00 73.24 C ATOM 1705 OG1 THR A 114 21.953 1.403 -35.274 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.887 3.135 -36.673 1.00 73.44 C ATOM 0 H THR A 114 19.471 2.943 -34.518 1.00 30.22 H new ATOM 0 HA THR A 114 22.245 3.706 -34.007 1.00 45.33 H new ATOM 0 HB THR A 114 20.819 2.642 -36.478 1.00 73.24 H new ATOM 0 HG1 THR A 114 21.973 0.734 -35.990 1.00 32.32 H new ATOM 0 HG21 THR A 114 23.069 2.403 -37.460 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.676 4.105 -37.122 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.770 3.213 -36.039 1.00 73.44 H new ATOM 1714 N VAL A 115 22.294 5.930 -35.123 1.00 21.22 N ATOM 1715 CA VAL A 115 22.289 7.287 -35.655 1.00 72.13 C ATOM 1716 C VAL A 115 23.059 7.367 -36.968 1.00 32.00 C ATOM 1717 O VAL A 115 24.169 6.851 -37.097 1.00 71.13 O ATOM 1718 CB VAL A 115 22.899 8.286 -34.654 1.00 34.51 C ATOM 1719 CG1 VAL A 115 22.864 9.697 -35.217 1.00 32.02 C ATOM 1720 CG2 VAL A 115 22.169 8.218 -33.321 1.00 0.35 C ATOM 0 H VAL A 115 23.134 5.686 -34.599 1.00 21.22 H new ATOM 0 HA VAL A 115 21.247 7.552 -35.832 1.00 72.13 H new ATOM 0 HB VAL A 115 23.941 8.013 -34.487 1.00 34.51 H new ATOM 0 HG11 VAL A 115 23.299 10.388 -34.495 1.00 32.02 H new ATOM 0 HG12 VAL A 115 23.436 9.733 -36.144 1.00 32.02 H new ATOM 0 HG13 VAL A 115 21.831 9.984 -35.416 1.00 32.02 H new ATOM 0 HG21 VAL A 115 22.613 8.930 -32.626 1.00 0.35 H new ATOM 0 HG22 VAL A 115 21.117 8.463 -33.469 1.00 0.35 H new ATOM 0 HG23 VAL A 115 22.252 7.211 -32.911 1.00 0.35 H new ATOM 1730 N PRO A 116 22.457 8.028 -37.968 1.00 23.44 N ATOM 1731 CA PRO A 116 23.069 8.193 -39.289 1.00 12.20 C ATOM 1732 C PRO A 116 24.271 9.130 -39.260 1.00 62.14 C ATOM 1733 O PRO A 116 25.329 8.816 -39.804 1.00 15.32 O ATOM 1734 CB PRO A 116 21.941 8.795 -40.131 1.00 2.12 C ATOM 1735 CG PRO A 116 21.061 9.484 -39.145 1.00 24.01 C ATOM 1736 CD PRO A 116 21.134 8.669 -37.885 1.00 65.44 C ATOM 0 HA PRO A 116 23.454 7.251 -39.679 1.00 12.20 H new ATOM 0 HB2 PRO A 116 22.329 9.494 -40.872 1.00 2.12 H new ATOM 0 HB3 PRO A 116 21.397 8.023 -40.675 1.00 2.12 H new ATOM 0 HG2 PRO A 116 21.397 10.506 -38.969 1.00 24.01 H new ATOM 0 HG3 PRO A 116 20.036 9.544 -39.512 1.00 24.01 H new ATOM 0 HD2 PRO A 116 21.046 9.294 -36.997 1.00 65.44 H new ATOM 0 HD3 PRO A 116 20.333 7.932 -37.837 1.00 65.44 H new ATOM 1744 N ARG A 117 24.100 10.284 -38.621 1.00 4.04 N ATOM 1745 CA ARG A 117 25.172 11.268 -38.521 1.00 23.33 C ATOM 1746 C ARG A 117 26.149 10.896 -37.410 1.00 72.14 C ATOM 1747 O ARG A 117 25.747 10.644 -36.274 1.00 53.20 O ATOM 1748 CB ARG A 117 24.592 12.659 -38.261 1.00 24.40 C ATOM 1749 CG ARG A 117 24.266 13.430 -39.530 1.00 3.30 C ATOM 1750 CD ARG A 117 24.286 14.931 -39.289 1.00 34.14 C ATOM 1751 NE ARG A 117 24.208 15.687 -40.537 1.00 31.52 N ATOM 1752 CZ ARG A 117 24.304 17.009 -40.603 1.00 33.23 C ATOM 1753 NH1 ARG A 117 24.481 17.719 -39.497 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 24.224 17.625 -41.776 1.00 55.12 N ATOM 0 H ARG A 117 23.230 10.560 -38.165 1.00 4.04 H new ATOM 0 HA ARG A 117 25.712 11.278 -39.468 1.00 23.33 H new ATOM 0 HB2 ARG A 117 23.686 12.560 -37.663 1.00 24.40 H new ATOM 0 HB3 ARG A 117 25.303 13.235 -37.669 1.00 24.40 H new ATOM 0 HG2 ARG A 117 24.987 13.175 -40.307 1.00 3.30 H new ATOM 0 HG3 ARG A 117 23.284 13.132 -39.896 1.00 3.30 H new ATOM 0 HD2 ARG A 117 23.450 15.206 -38.646 1.00 34.14 H new ATOM 0 HD3 ARG A 117 25.199 15.201 -38.758 1.00 34.14 H new ATOM 0 HE ARG A 117 24.072 15.170 -41.406 1.00 31.52 H new ATOM 0 HH11 ARG A 117 24.544 17.249 -38.594 1.00 32.32 H new ATOM 0 HH12 ARG A 117 24.555 18.735 -39.549 1.00 32.32 H new ATOM 0 HH21 ARG A 117 24.088 17.082 -42.629 1.00 55.12 H new ATOM 0 HH22 ARG A 117 24.298 18.641 -41.825 1.00 55.12 H new