USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=18 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 64 HIS : no HD1:sc= -1.43 X(o=-1.7,f=-1.4) USER MOD Set 1.2: A 96 SER OG : rot -26:sc= -0.28 USER MOD Set 2.1: A 63 CYS SG : rot 180:sc= 0.208 USER MOD Set 2.2: A 100 CYS SG : rot 69:sc= 0.214 USER MOD Single : A 17 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.12) USER MOD Single : A 23 LYS NZ :NH3+ -154:sc= -0.122 (180deg=-0.537) USER MOD Single : A 24 THR OG1 : rot -80:sc= 1.93 USER MOD Single : A 25 MET CE :methyl 154:sc= -0.136 (180deg=-0.626) USER MOD Single : A 26 LYS NZ :NH3+ -135:sc=-0.00526 (180deg=-0.669) USER MOD Single : A 27 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.2) USER MOD Single : A 32 LYS NZ :NH3+ -169:sc=-0.00515 (180deg=-0.115) USER MOD Single : A 35 CYS SG : rot 39:sc= -0.0574 USER MOD Single : A 37 SER OG : rot 180:sc= -0.218 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.684 USER MOD Single : A 44 HIS : no HD1:sc= -0.0428 X(o=-0.043,f=-0.2) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -5.87! C(o=-5.9!,f=-20!) USER MOD Single : A 72 TYR OH : rot -126:sc= 0.683 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.00414 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.049) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.631 USER MOD Single : A 95 THR OG1 : rot 144:sc=0.000857 USER MOD Single : A 101 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.4!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0565 USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 114 THR OG1 : rot 160:sc= -1.67 USER MOD ----------------------------------------------------------------- ATOM 153 N ARG A 13 2.608 6.955 -15.058 1.00 62.40 N ATOM 154 CA ARG A 13 2.425 5.515 -14.929 1.00 13.43 C ATOM 155 C ARG A 13 3.395 4.761 -15.834 1.00 51.13 C ATOM 156 O ARG A 13 2.983 3.934 -16.648 1.00 65.25 O ATOM 157 CB ARG A 13 0.985 5.130 -15.274 1.00 71.33 C ATOM 158 CG ARG A 13 0.493 3.893 -14.540 1.00 64.41 C ATOM 159 CD ARG A 13 -0.864 3.442 -15.056 1.00 64.44 C ATOM 160 NE ARG A 13 -1.830 4.538 -15.089 1.00 53.53 N ATOM 161 CZ ARG A 13 -2.386 5.059 -14.001 1.00 72.45 C ATOM 162 NH1 ARG A 13 -2.074 4.588 -12.802 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 -3.256 6.054 -14.112 1.00 74.21 N ATOM 0 HA ARG A 13 2.630 5.239 -13.895 1.00 13.43 H new ATOM 0 HB2 ARG A 13 0.328 5.967 -15.039 1.00 71.33 H new ATOM 0 HB3 ARG A 13 0.911 4.958 -16.348 1.00 71.33 H new ATOM 0 HG2 ARG A 13 1.216 3.086 -14.660 1.00 64.41 H new ATOM 0 HG3 ARG A 13 0.426 4.105 -13.473 1.00 64.41 H new ATOM 0 HD2 ARG A 13 -0.751 3.028 -16.058 1.00 64.44 H new ATOM 0 HD3 ARG A 13 -1.245 2.642 -14.422 1.00 64.44 H new ATOM 0 HE ARG A 13 -2.091 4.924 -15.996 1.00 53.53 H new ATOM 0 HH11 ARG A 13 -1.405 3.823 -12.713 1.00 1.02 H new ATOM 0 HH12 ARG A 13 -2.503 4.990 -11.969 1.00 1.02 H new ATOM 0 HH21 ARG A 13 -3.498 6.419 -15.033 1.00 74.21 H new ATOM 0 HH22 ARG A 13 -3.683 6.454 -13.276 1.00 74.21 H new ATOM 177 N ILE A 14 4.683 5.051 -15.684 1.00 31.23 N ATOM 178 CA ILE A 14 5.710 4.400 -16.486 1.00 21.45 C ATOM 179 C ILE A 14 6.067 3.031 -15.917 1.00 33.43 C ATOM 180 O ILE A 14 6.287 2.869 -14.717 1.00 4.22 O ATOM 181 CB ILE A 14 6.987 5.257 -16.570 1.00 63.41 C ATOM 182 CG1 ILE A 14 6.660 6.647 -17.120 1.00 40.21 C ATOM 183 CG2 ILE A 14 8.030 4.571 -17.439 1.00 71.10 C ATOM 184 CD1 ILE A 14 6.843 7.756 -16.108 1.00 72.40 C ATOM 0 H ILE A 14 5.040 5.733 -15.014 1.00 31.23 H new ATOM 0 HA ILE A 14 5.297 4.278 -17.487 1.00 21.45 H new ATOM 0 HB ILE A 14 7.396 5.370 -15.566 1.00 63.41 H new ATOM 0 HG12 ILE A 14 7.295 6.846 -17.983 1.00 40.21 H new ATOM 0 HG13 ILE A 14 5.629 6.656 -17.474 1.00 40.21 H new ATOM 0 HG21 ILE A 14 8.926 5.189 -17.488 1.00 71.10 H new ATOM 0 HG22 ILE A 14 8.281 3.601 -17.009 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.631 4.430 -18.443 1.00 71.10 H new ATOM 0 HD11 ILE A 14 6.593 8.712 -16.567 1.00 72.40 H new ATOM 0 HD12 ILE A 14 6.188 7.581 -15.254 1.00 72.40 H new ATOM 0 HD13 ILE A 14 7.880 7.775 -15.772 1.00 72.40 H new ATOM 196 N PRO A 15 6.128 2.021 -16.798 1.00 52.44 N ATOM 197 CA PRO A 15 6.460 0.648 -16.407 1.00 71.33 C ATOM 198 C PRO A 15 7.919 0.502 -15.989 1.00 44.54 C ATOM 199 O PRO A 15 8.637 1.492 -15.852 1.00 21.35 O ATOM 200 CB PRO A 15 6.185 -0.160 -17.677 1.00 32.33 C ATOM 201 CG PRO A 15 6.340 0.819 -18.790 1.00 35.51 C ATOM 202 CD PRO A 15 5.878 2.142 -18.244 1.00 52.11 C ATOM 0 HA PRO A 15 5.882 0.319 -15.543 1.00 71.33 H new ATOM 0 HB2 PRO A 15 6.886 -0.989 -17.778 1.00 32.33 H new ATOM 0 HB3 PRO A 15 5.183 -0.589 -17.664 1.00 32.33 H new ATOM 0 HG2 PRO A 15 7.377 0.874 -19.120 1.00 35.51 H new ATOM 0 HG3 PRO A 15 5.745 0.524 -19.655 1.00 35.51 H new ATOM 0 HD2 PRO A 15 6.434 2.972 -18.680 1.00 52.11 H new ATOM 0 HD3 PRO A 15 4.823 2.318 -18.456 1.00 52.11 H new ATOM 210 N GLU A 16 8.352 -0.740 -15.788 1.00 24.10 N ATOM 211 CA GLU A 16 9.726 -1.014 -15.385 1.00 63.23 C ATOM 212 C GLU A 16 10.715 -0.331 -16.325 1.00 23.52 C ATOM 213 O GLU A 16 10.387 -0.027 -17.472 1.00 3.13 O ATOM 214 CB GLU A 16 9.984 -2.522 -15.364 1.00 12.45 C ATOM 215 CG GLU A 16 9.570 -3.191 -14.065 1.00 54.23 C ATOM 216 CD GLU A 16 9.856 -4.681 -14.059 1.00 62.22 C ATOM 217 OE1 GLU A 16 10.838 -5.093 -13.408 1.00 73.31 O ATOM 218 OE2 GLU A 16 9.099 -5.434 -14.707 1.00 11.13 O1- ATOM 0 H GLU A 16 7.771 -1.571 -15.898 1.00 24.10 H new ATOM 0 HA GLU A 16 9.870 -0.614 -14.381 1.00 63.23 H new ATOM 0 HB2 GLU A 16 9.445 -2.986 -16.190 1.00 12.45 H new ATOM 0 HB3 GLU A 16 11.045 -2.703 -15.534 1.00 12.45 H new ATOM 0 HG2 GLU A 16 10.096 -2.720 -13.235 1.00 54.23 H new ATOM 0 HG3 GLU A 16 8.505 -3.029 -13.900 1.00 54.23 H new ATOM 225 N GLN A 17 11.926 -0.093 -15.831 1.00 15.32 N ATOM 226 CA GLN A 17 12.962 0.556 -16.626 1.00 43.30 C ATOM 227 C GLN A 17 13.523 -0.401 -17.672 1.00 14.04 C ATOM 228 O GLN A 17 13.401 -1.620 -17.542 1.00 32.12 O ATOM 229 CB GLN A 17 14.088 1.059 -15.722 1.00 2.54 C ATOM 230 CG GLN A 17 13.593 1.781 -14.479 1.00 15.05 C ATOM 231 CD GLN A 17 14.722 2.193 -13.555 1.00 5.52 C ATOM 232 OE1 GLN A 17 14.643 2.011 -12.339 1.00 25.01 O ATOM 233 NE2 GLN A 17 15.782 2.750 -14.127 1.00 30.14 N ATOM 0 H GLN A 17 12.214 -0.340 -14.884 1.00 15.32 H new ATOM 0 HA GLN A 17 12.512 1.405 -17.140 1.00 43.30 H new ATOM 0 HB2 GLN A 17 14.705 0.213 -15.419 1.00 2.54 H new ATOM 0 HB3 GLN A 17 14.728 1.732 -16.293 1.00 2.54 H new ATOM 0 HG2 GLN A 17 13.031 2.666 -14.777 1.00 15.05 H new ATOM 0 HG3 GLN A 17 12.903 1.133 -13.938 1.00 15.05 H new ATOM 0 HE21 GLN A 17 15.806 2.882 -15.138 1.00 30.14 H new ATOM 0 HE22 GLN A 17 16.573 3.046 -13.555 1.00 30.14 H new ATOM 242 N ILE A 18 14.138 0.157 -18.709 1.00 24.21 N ATOM 243 CA ILE A 18 14.719 -0.647 -19.777 1.00 45.03 C ATOM 244 C ILE A 18 16.060 -0.077 -20.227 1.00 53.13 C ATOM 245 O ILE A 18 16.494 0.969 -19.746 1.00 34.14 O ATOM 246 CB ILE A 18 13.777 -0.734 -20.992 1.00 12.34 C ATOM 247 CG1 ILE A 18 13.359 0.667 -21.443 1.00 64.44 C ATOM 248 CG2 ILE A 18 12.554 -1.574 -20.655 1.00 30.13 C ATOM 249 CD1 ILE A 18 13.267 0.816 -22.945 1.00 51.52 C ATOM 0 H ILE A 18 14.247 1.164 -18.832 1.00 24.21 H new ATOM 0 HA ILE A 18 14.870 -1.648 -19.372 1.00 45.03 H new ATOM 0 HB ILE A 18 14.310 -1.215 -21.812 1.00 12.34 H new ATOM 0 HG12 ILE A 18 12.392 0.908 -21.002 1.00 64.44 H new ATOM 0 HG13 ILE A 18 14.075 1.393 -21.057 1.00 64.44 H new ATOM 0 HG21 ILE A 18 11.898 -1.626 -21.524 1.00 30.13 H new ATOM 0 HG22 ILE A 18 12.869 -2.580 -20.377 1.00 30.13 H new ATOM 0 HG23 ILE A 18 12.018 -1.119 -19.822 1.00 30.13 H new ATOM 0 HD11 ILE A 18 12.966 1.834 -23.192 1.00 51.52 H new ATOM 0 HD12 ILE A 18 14.239 0.607 -23.392 1.00 51.52 H new ATOM 0 HD13 ILE A 18 12.530 0.115 -23.336 1.00 51.52 H new ATOM 261 N ARG A 19 16.711 -0.772 -21.154 1.00 71.23 N ATOM 262 CA ARG A 19 18.003 -0.337 -21.669 1.00 75.34 C ATOM 263 C ARG A 19 17.962 -0.195 -23.188 1.00 62.41 C ATOM 264 O ARG A 19 17.512 -1.098 -23.894 1.00 51.13 O ATOM 265 CB ARG A 19 19.097 -1.326 -21.268 1.00 70.32 C ATOM 266 CG ARG A 19 20.506 -0.806 -21.505 1.00 12.13 C ATOM 267 CD ARG A 19 21.516 -1.941 -21.562 1.00 72.31 C ATOM 268 NE ARG A 19 21.833 -2.459 -20.234 1.00 22.42 N ATOM 269 CZ ARG A 19 22.427 -3.629 -20.024 1.00 11.21 C ATOM 270 NH1 ARG A 19 22.768 -4.397 -21.050 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 22.683 -4.031 -18.786 1.00 23.13 N ATOM 0 H ARG A 19 16.364 -1.639 -21.564 1.00 71.23 H new ATOM 0 HA ARG A 19 18.229 0.637 -21.235 1.00 75.34 H new ATOM 0 HB2 ARG A 19 18.983 -1.573 -20.212 1.00 70.32 H new ATOM 0 HB3 ARG A 19 18.961 -2.251 -21.828 1.00 70.32 H new ATOM 0 HG2 ARG A 19 20.535 -0.244 -22.439 1.00 12.13 H new ATOM 0 HG3 ARG A 19 20.779 -0.114 -20.708 1.00 12.13 H new ATOM 0 HD2 ARG A 19 21.121 -2.747 -22.181 1.00 72.31 H new ATOM 0 HD3 ARG A 19 22.430 -1.589 -22.042 1.00 72.31 H new ATOM 0 HE ARG A 19 21.585 -1.892 -19.423 1.00 22.42 H new ATOM 0 HH11 ARG A 19 22.574 -4.090 -22.003 1.00 43.31 H new ATOM 0 HH12 ARG A 19 23.224 -5.295 -20.886 1.00 43.31 H new ATOM 0 HH21 ARG A 19 22.424 -3.442 -17.995 1.00 23.13 H new ATOM 0 HH22 ARG A 19 23.139 -4.929 -18.625 1.00 23.13 H new ATOM 285 N ILE A 20 18.434 0.944 -23.685 1.00 35.55 N ATOM 286 CA ILE A 20 18.451 1.202 -25.119 1.00 64.45 C ATOM 287 C ILE A 20 19.881 1.304 -25.642 1.00 32.03 C ATOM 288 O ILE A 20 20.823 1.492 -24.872 1.00 53.21 O ATOM 289 CB ILE A 20 17.696 2.498 -25.467 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.162 3.643 -24.565 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.195 2.289 -25.333 1.00 21.23 C ATOM 292 CD1 ILE A 20 18.192 4.987 -25.261 1.00 21.13 C ATOM 0 H ILE A 20 18.809 1.702 -23.115 1.00 35.55 H new ATOM 0 HA ILE A 20 17.950 0.360 -25.597 1.00 64.45 H new ATOM 0 HB ILE A 20 17.916 2.762 -26.501 1.00 75.13 H new ATOM 0 HG12 ILE A 20 17.501 3.705 -23.700 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.159 3.415 -24.189 1.00 15.54 H new ATOM 0 HG21 ILE A 20 15.675 3.214 -25.582 1.00 21.23 H new ATOM 0 HG22 ILE A 20 15.876 1.499 -26.012 1.00 21.23 H new ATOM 0 HG23 ILE A 20 15.957 2.004 -24.308 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.532 5.751 -24.562 1.00 21.13 H new ATOM 0 HD12 ILE A 20 18.875 4.942 -26.109 1.00 21.13 H new ATOM 0 HD13 ILE A 20 17.191 5.237 -25.613 1.00 21.13 H new ATOM 304 N PHE A 21 20.034 1.180 -26.956 1.00 73.53 N ATOM 305 CA PHE A 21 21.349 1.259 -27.583 1.00 64.54 C ATOM 306 C PHE A 21 21.448 2.486 -28.484 1.00 32.43 C ATOM 307 O PHE A 21 20.528 2.789 -29.243 1.00 22.23 O ATOM 308 CB PHE A 21 21.628 -0.008 -28.393 1.00 22.21 C ATOM 309 CG PHE A 21 22.471 -1.014 -27.664 1.00 75.22 C ATOM 310 CD1 PHE A 21 23.755 -1.305 -28.098 1.00 21.22 C ATOM 311 CD2 PHE A 21 21.982 -1.667 -26.545 1.00 14.32 C ATOM 312 CE1 PHE A 21 24.534 -2.230 -27.429 1.00 63.25 C ATOM 313 CE2 PHE A 21 22.757 -2.592 -25.871 1.00 44.12 C ATOM 314 CZ PHE A 21 24.034 -2.875 -26.314 1.00 20.14 C ATOM 0 H PHE A 21 19.265 1.025 -27.607 1.00 73.53 H new ATOM 0 HA PHE A 21 22.096 1.348 -26.794 1.00 64.54 H new ATOM 0 HB2 PHE A 21 20.680 -0.471 -28.666 1.00 22.21 H new ATOM 0 HB3 PHE A 21 22.128 0.267 -29.322 1.00 22.21 H new ATOM 0 HD1 PHE A 21 24.151 -0.803 -28.969 1.00 21.22 H new ATOM 0 HD2 PHE A 21 20.983 -1.451 -26.195 1.00 14.32 H new ATOM 0 HE1 PHE A 21 25.533 -2.449 -27.777 1.00 63.25 H new ATOM 0 HE2 PHE A 21 22.364 -3.093 -24.999 1.00 44.12 H new ATOM 0 HZ PHE A 21 24.641 -3.599 -25.790 1.00 20.14 H new ATOM 324 N PHE A 22 22.573 3.189 -28.394 1.00 34.14 N ATOM 325 CA PHE A 22 22.794 4.384 -29.200 1.00 71.33 C ATOM 326 C PHE A 22 23.793 4.108 -30.320 1.00 24.13 C ATOM 327 O PHE A 22 24.989 3.948 -30.075 1.00 42.03 O ATOM 328 CB PHE A 22 23.299 5.531 -28.322 1.00 34.11 C ATOM 329 CG PHE A 22 22.198 6.386 -27.762 1.00 21.32 C ATOM 330 CD1 PHE A 22 22.107 6.615 -26.399 1.00 55.45 C ATOM 331 CD2 PHE A 22 21.255 6.961 -28.599 1.00 11.41 C ATOM 332 CE1 PHE A 22 21.095 7.402 -25.879 1.00 43.04 C ATOM 333 CE2 PHE A 22 20.242 7.749 -28.085 1.00 34.04 C ATOM 334 CZ PHE A 22 20.161 7.968 -26.724 1.00 31.31 C ATOM 0 H PHE A 22 23.345 2.952 -27.771 1.00 34.14 H new ATOM 0 HA PHE A 22 21.843 4.670 -29.648 1.00 71.33 H new ATOM 0 HB2 PHE A 22 23.882 5.118 -27.499 1.00 34.11 H new ATOM 0 HB3 PHE A 22 23.972 6.157 -28.907 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.835 6.174 -25.734 1.00 55.45 H new ATOM 0 HD2 PHE A 22 21.312 6.792 -29.664 1.00 11.41 H new ATOM 0 HE1 PHE A 22 21.036 7.573 -24.814 1.00 43.04 H new ATOM 0 HE2 PHE A 22 19.514 8.193 -28.748 1.00 34.04 H new ATOM 0 HZ PHE A 22 19.368 8.581 -26.321 1.00 31.31 H new ATOM 344 N LYS A 23 23.293 4.053 -31.550 1.00 30.42 N ATOM 345 CA LYS A 23 24.139 3.797 -32.709 1.00 1.30 C ATOM 346 C LYS A 23 24.555 5.103 -33.379 1.00 12.33 C ATOM 347 O LYS A 23 23.731 5.995 -33.589 1.00 50.24 O ATOM 348 CB LYS A 23 23.406 2.906 -33.715 1.00 51.30 C ATOM 349 CG LYS A 23 24.274 1.805 -34.298 1.00 73.32 C ATOM 350 CD LYS A 23 23.948 1.552 -35.760 1.00 53.34 C ATOM 351 CE LYS A 23 22.859 0.502 -35.915 1.00 11.44 C ATOM 352 NZ LYS A 23 23.310 -0.839 -35.450 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.305 4.182 -31.770 1.00 30.42 H new ATOM 0 HA LYS A 23 25.037 3.284 -32.365 1.00 1.30 H new ATOM 0 HB2 LYS A 23 22.542 2.456 -33.227 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.026 3.526 -34.527 1.00 51.30 H new ATOM 0 HG2 LYS A 23 25.325 2.079 -34.201 1.00 73.32 H new ATOM 0 HG3 LYS A 23 24.130 0.887 -33.728 1.00 73.32 H new ATOM 0 HD2 LYS A 23 23.627 2.482 -36.228 1.00 53.34 H new ATOM 0 HD3 LYS A 23 24.847 1.225 -36.283 1.00 53.34 H new ATOM 0 HE2 LYS A 23 21.979 0.806 -35.348 1.00 11.44 H new ATOM 0 HE3 LYS A 23 22.559 0.442 -36.961 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 22.770 -1.578 -35.945 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 24.323 -0.955 -35.655 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 23.152 -0.922 -34.425 1.00 75.34 H new ATOM 366 N THR A 24 25.837 5.209 -33.713 1.00 1.24 N ATOM 367 CA THR A 24 26.361 6.406 -34.360 1.00 41.43 C ATOM 368 C THR A 24 27.072 6.061 -35.663 1.00 55.05 C ATOM 369 O THR A 24 27.134 4.897 -36.058 1.00 23.40 O ATOM 370 CB THR A 24 27.340 7.159 -33.438 1.00 24.11 C ATOM 371 OG1 THR A 24 28.583 6.453 -33.362 1.00 65.51 O ATOM 372 CG2 THR A 24 26.754 7.319 -32.042 1.00 50.11 C ATOM 0 H THR A 24 26.532 4.481 -33.546 1.00 1.24 H new ATOM 0 HA THR A 24 25.507 7.049 -34.575 1.00 41.43 H new ATOM 0 HB THR A 24 27.512 8.150 -33.858 1.00 24.11 H new ATOM 0 HG1 THR A 24 28.498 5.708 -32.731 1.00 65.51 H new ATOM 0 HG21 THR A 24 27.463 7.853 -31.409 1.00 50.11 H new ATOM 0 HG22 THR A 24 25.823 7.883 -32.101 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.556 6.336 -31.615 1.00 50.11 H new ATOM 380 N MET A 25 27.609 7.080 -36.327 1.00 73.10 N ATOM 381 CA MET A 25 28.317 6.882 -37.585 1.00 52.45 C ATOM 382 C MET A 25 29.703 6.292 -37.343 1.00 2.30 C ATOM 383 O MET A 25 30.401 5.913 -38.284 1.00 33.11 O ATOM 384 CB MET A 25 28.440 8.207 -38.339 1.00 30.23 C ATOM 385 CG MET A 25 28.675 8.039 -39.832 1.00 63.33 C ATOM 386 SD MET A 25 29.486 9.467 -40.574 1.00 45.42 S ATOM 387 CE MET A 25 31.115 9.351 -39.840 1.00 4.22 C ATOM 0 H MET A 25 27.567 8.050 -36.014 1.00 73.10 H new ATOM 0 HA MET A 25 27.743 6.179 -38.189 1.00 52.45 H new ATOM 0 HB2 MET A 25 27.531 8.788 -38.186 1.00 30.23 H new ATOM 0 HB3 MET A 25 29.262 8.783 -37.913 1.00 30.23 H new ATOM 0 HG2 MET A 25 29.284 7.151 -40.002 1.00 63.33 H new ATOM 0 HG3 MET A 25 27.720 7.870 -40.329 1.00 63.33 H new ATOM 0 HE1 MET A 25 31.844 9.828 -40.495 1.00 4.22 H new ATOM 0 HE2 MET A 25 31.114 9.852 -38.872 1.00 4.22 H new ATOM 0 HE3 MET A 25 31.380 8.302 -39.705 1.00 4.22 H new ATOM 397 N LYS A 26 30.095 6.216 -36.075 1.00 24.12 N ATOM 398 CA LYS A 26 31.396 5.671 -35.708 1.00 45.31 C ATOM 399 C LYS A 26 31.248 4.298 -35.060 1.00 52.32 C ATOM 400 O LYS A 26 32.060 3.403 -35.291 1.00 42.42 O ATOM 401 CB LYS A 26 32.119 6.622 -34.751 1.00 13.34 C ATOM 402 CG LYS A 26 33.633 6.525 -34.825 1.00 61.12 C ATOM 403 CD LYS A 26 34.167 7.121 -36.117 1.00 13.14 C ATOM 404 CE LYS A 26 34.436 8.612 -35.973 1.00 42.23 C ATOM 405 NZ LYS A 26 33.271 9.429 -36.408 1.00 4.53 N1+ ATOM 0 H LYS A 26 29.529 6.525 -35.285 1.00 24.12 H new ATOM 0 HA LYS A 26 31.986 5.563 -36.618 1.00 45.31 H new ATOM 0 HB2 LYS A 26 31.818 7.646 -34.973 1.00 13.34 H new ATOM 0 HB3 LYS A 26 31.799 6.410 -33.731 1.00 13.34 H new ATOM 0 HG2 LYS A 26 34.074 7.044 -33.974 1.00 61.12 H new ATOM 0 HG3 LYS A 26 33.936 5.480 -34.753 1.00 61.12 H new ATOM 0 HD2 LYS A 26 35.087 6.610 -36.402 1.00 13.14 H new ATOM 0 HD3 LYS A 26 33.448 6.956 -36.920 1.00 13.14 H new ATOM 0 HE2 LYS A 26 34.672 8.840 -34.933 1.00 42.23 H new ATOM 0 HE3 LYS A 26 35.311 8.882 -36.565 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 33.601 10.215 -37.003 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 32.614 8.835 -36.953 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 32.782 9.809 -35.572 1.00 4.53 H new ATOM 419 N GLN A 27 30.205 4.139 -34.252 1.00 23.51 N ATOM 420 CA GLN A 27 29.951 2.875 -33.573 1.00 54.41 C ATOM 421 C GLN A 27 28.706 2.968 -32.696 1.00 32.12 C ATOM 422 O GLN A 27 28.096 4.031 -32.576 1.00 31.42 O ATOM 423 CB GLN A 27 31.159 2.476 -32.723 1.00 35.15 C ATOM 424 CG GLN A 27 31.740 3.626 -31.916 1.00 31.13 C ATOM 425 CD GLN A 27 32.397 3.162 -30.631 1.00 41.01 C ATOM 426 OE1 GLN A 27 33.543 2.711 -30.633 1.00 14.54 O ATOM 427 NE2 GLN A 27 31.673 3.272 -29.523 1.00 44.23 N ATOM 0 H GLN A 27 29.522 4.870 -34.052 1.00 23.51 H new ATOM 0 HA GLN A 27 29.782 2.112 -34.333 1.00 54.41 H new ATOM 0 HB2 GLN A 27 30.866 1.677 -32.042 1.00 35.15 H new ATOM 0 HB3 GLN A 27 31.934 2.072 -33.374 1.00 35.15 H new ATOM 0 HG2 GLN A 27 32.473 4.158 -32.523 1.00 31.13 H new ATOM 0 HG3 GLN A 27 30.947 4.336 -31.679 1.00 31.13 H new ATOM 0 HE21 GLN A 27 30.727 3.651 -29.567 1.00 44.23 H new ATOM 0 HE22 GLN A 27 32.063 2.977 -28.628 1.00 44.23 H new ATOM 436 N VAL A 28 28.332 1.847 -32.087 1.00 3.05 N ATOM 437 CA VAL A 28 27.160 1.802 -31.221 1.00 24.14 C ATOM 438 C VAL A 28 27.562 1.618 -29.762 1.00 72.01 C ATOM 439 O VAL A 28 28.424 0.800 -29.443 1.00 14.41 O ATOM 440 CB VAL A 28 26.206 0.664 -31.627 1.00 50.21 C ATOM 441 CG1 VAL A 28 26.846 -0.691 -31.360 1.00 4.54 C ATOM 442 CG2 VAL A 28 24.881 0.790 -30.889 1.00 44.43 C ATOM 0 H VAL A 28 28.824 0.958 -32.178 1.00 3.05 H new ATOM 0 HA VAL A 28 26.645 2.756 -31.335 1.00 24.14 H new ATOM 0 HB VAL A 28 26.010 0.743 -32.696 1.00 50.21 H new ATOM 0 HG11 VAL A 28 26.157 -1.483 -31.653 1.00 4.54 H new ATOM 0 HG12 VAL A 28 27.766 -0.779 -31.937 1.00 4.54 H new ATOM 0 HG13 VAL A 28 27.074 -0.783 -30.298 1.00 4.54 H new ATOM 0 HG21 VAL A 28 24.219 -0.023 -31.188 1.00 44.43 H new ATOM 0 HG22 VAL A 28 25.057 0.738 -29.815 1.00 44.43 H new ATOM 0 HG23 VAL A 28 24.417 1.745 -31.135 1.00 44.43 H new ATOM 452 N VAL A 29 26.930 2.385 -28.878 1.00 62.35 N ATOM 453 CA VAL A 29 27.219 2.305 -27.452 1.00 73.41 C ATOM 454 C VAL A 29 25.945 2.084 -26.643 1.00 41.43 C ATOM 455 O VAL A 29 24.855 2.510 -27.028 1.00 63.42 O ATOM 456 CB VAL A 29 27.917 3.583 -26.949 1.00 24.34 C ATOM 457 CG1 VAL A 29 29.420 3.488 -27.159 1.00 32.35 C ATOM 458 CG2 VAL A 29 27.351 4.810 -27.648 1.00 63.42 C ATOM 0 H VAL A 29 26.215 3.069 -29.125 1.00 62.35 H new ATOM 0 HA VAL A 29 27.886 1.455 -27.312 1.00 73.41 H new ATOM 0 HB VAL A 29 27.728 3.682 -25.880 1.00 24.34 H new ATOM 0 HG11 VAL A 29 29.896 4.400 -26.798 1.00 32.35 H new ATOM 0 HG12 VAL A 29 29.811 2.632 -26.609 1.00 32.35 H new ATOM 0 HG13 VAL A 29 29.632 3.364 -28.221 1.00 32.35 H new ATOM 0 HG21 VAL A 29 27.856 5.703 -27.280 1.00 63.42 H new ATOM 0 HG22 VAL A 29 27.508 4.721 -28.723 1.00 63.42 H new ATOM 0 HG23 VAL A 29 26.283 4.886 -27.442 1.00 63.42 H new ATOM 468 N PRO A 30 26.083 1.404 -25.497 1.00 73.00 N ATOM 469 CA PRO A 30 24.954 1.111 -24.609 1.00 3.14 C ATOM 470 C PRO A 30 24.421 2.361 -23.917 1.00 71.14 C ATOM 471 O PRO A 30 25.165 3.310 -23.671 1.00 11.03 O ATOM 472 CB PRO A 30 25.551 0.144 -23.582 1.00 20.11 C ATOM 473 CG PRO A 30 27.008 0.454 -23.573 1.00 44.03 C ATOM 474 CD PRO A 30 27.353 0.867 -24.977 1.00 41.22 C ATOM 0 HA PRO A 30 24.103 0.703 -25.154 1.00 3.14 H new ATOM 0 HB2 PRO A 30 25.109 0.290 -22.597 1.00 20.11 H new ATOM 0 HB3 PRO A 30 25.369 -0.893 -23.862 1.00 20.11 H new ATOM 0 HG2 PRO A 30 27.233 1.252 -22.865 1.00 44.03 H new ATOM 0 HG3 PRO A 30 27.590 -0.416 -23.268 1.00 44.03 H new ATOM 0 HD2 PRO A 30 28.143 1.618 -24.992 1.00 41.22 H new ATOM 0 HD3 PRO A 30 27.705 0.022 -25.569 1.00 41.22 H new ATOM 482 N ALA A 31 23.130 2.354 -23.605 1.00 53.34 N ATOM 483 CA ALA A 31 22.499 3.487 -22.939 1.00 43.44 C ATOM 484 C ALA A 31 21.361 3.026 -22.033 1.00 41.51 C ATOM 485 O ALA A 31 20.364 2.479 -22.502 1.00 52.01 O ATOM 486 CB ALA A 31 21.986 4.485 -23.967 1.00 11.05 C ATOM 0 H ALA A 31 22.500 1.576 -23.803 1.00 53.34 H new ATOM 0 HA ALA A 31 23.249 3.976 -22.317 1.00 43.44 H new ATOM 0 HB1 ALA A 31 21.517 5.326 -23.456 1.00 11.05 H new ATOM 0 HB2 ALA A 31 22.819 4.846 -24.571 1.00 11.05 H new ATOM 0 HB3 ALA A 31 21.254 3.999 -24.612 1.00 11.05 H new ATOM 492 N LYS A 32 21.518 3.253 -20.734 1.00 42.21 N ATOM 493 CA LYS A 32 20.505 2.862 -19.761 1.00 42.03 C ATOM 494 C LYS A 32 19.301 3.796 -19.824 1.00 53.43 C ATOM 495 O LYS A 32 19.451 5.017 -19.823 1.00 15.15 O ATOM 496 CB LYS A 32 21.094 2.869 -18.349 1.00 10.13 C ATOM 497 CG LYS A 32 21.769 1.563 -17.966 1.00 15.14 C ATOM 498 CD LYS A 32 22.483 1.676 -16.628 1.00 43.25 C ATOM 499 CE LYS A 32 23.042 0.334 -16.180 1.00 41.14 C ATOM 500 NZ LYS A 32 21.963 -0.617 -15.795 1.00 23.12 N1+ ATOM 0 H LYS A 32 22.338 3.706 -20.330 1.00 42.21 H new ATOM 0 HA LYS A 32 20.174 1.853 -20.005 1.00 42.03 H new ATOM 0 HB2 LYS A 32 21.818 3.680 -18.270 1.00 10.13 H new ATOM 0 HB3 LYS A 32 20.299 3.081 -17.634 1.00 10.13 H new ATOM 0 HG2 LYS A 32 21.025 0.768 -17.916 1.00 15.14 H new ATOM 0 HG3 LYS A 32 22.484 1.282 -18.739 1.00 15.14 H new ATOM 0 HD2 LYS A 32 23.293 2.401 -16.707 1.00 43.25 H new ATOM 0 HD3 LYS A 32 21.790 2.053 -15.875 1.00 43.25 H new ATOM 0 HE2 LYS A 32 23.637 -0.098 -16.985 1.00 41.14 H new ATOM 0 HE3 LYS A 32 23.712 0.484 -15.334 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 22.381 -1.444 -15.324 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 21.301 -0.146 -15.146 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 21.452 -0.926 -16.647 1.00 23.12 H new ATOM 514 N ALA A 33 18.108 3.214 -19.880 1.00 74.42 N ATOM 515 CA ALA A 33 16.878 3.995 -19.940 1.00 62.44 C ATOM 516 C ALA A 33 16.126 3.938 -18.614 1.00 33.43 C ATOM 517 O ALA A 33 15.865 2.860 -18.083 1.00 52.11 O ATOM 518 CB ALA A 33 15.993 3.498 -21.073 1.00 44.12 C ATOM 0 H ALA A 33 17.967 2.204 -19.885 1.00 74.42 H new ATOM 0 HA ALA A 33 17.145 5.034 -20.131 1.00 62.44 H new ATOM 0 HB1 ALA A 33 15.078 4.090 -21.106 1.00 44.12 H new ATOM 0 HB2 ALA A 33 16.524 3.597 -22.020 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.742 2.451 -20.906 1.00 44.12 H new ATOM 524 N VAL A 34 15.781 5.108 -18.086 1.00 63.33 N ATOM 525 CA VAL A 34 15.058 5.192 -16.822 1.00 45.44 C ATOM 526 C VAL A 34 13.604 5.592 -17.046 1.00 54.42 C ATOM 527 O VAL A 34 13.292 6.348 -17.967 1.00 75.20 O ATOM 528 CB VAL A 34 15.716 6.203 -15.865 1.00 12.22 C ATOM 529 CG1 VAL A 34 15.071 6.134 -14.489 1.00 2.34 C ATOM 530 CG2 VAL A 34 17.214 5.953 -15.774 1.00 72.31 C ATOM 0 H VAL A 34 15.990 6.010 -18.513 1.00 63.33 H new ATOM 0 HA VAL A 34 15.093 4.200 -16.371 1.00 45.44 H new ATOM 0 HB VAL A 34 15.562 7.206 -16.262 1.00 12.22 H new ATOM 0 HG11 VAL A 34 15.549 6.855 -13.826 1.00 2.34 H new ATOM 0 HG12 VAL A 34 14.009 6.366 -14.573 1.00 2.34 H new ATOM 0 HG13 VAL A 34 15.192 5.131 -14.080 1.00 2.34 H new ATOM 0 HG21 VAL A 34 17.663 6.677 -15.093 1.00 72.31 H new ATOM 0 HG22 VAL A 34 17.393 4.945 -15.401 1.00 72.31 H new ATOM 0 HG23 VAL A 34 17.661 6.059 -16.762 1.00 72.31 H new ATOM 540 N CYS A 35 12.718 5.082 -16.198 1.00 52.54 N ATOM 541 CA CYS A 35 11.295 5.387 -16.303 1.00 31.55 C ATOM 542 C CYS A 35 11.064 6.894 -16.351 1.00 12.13 C ATOM 543 O CYS A 35 11.325 7.603 -15.380 1.00 51.25 O ATOM 544 CB CYS A 35 10.534 4.779 -15.123 1.00 11.41 C ATOM 545 SG CYS A 35 11.257 5.151 -13.508 1.00 13.12 S ATOM 0 H CYS A 35 12.959 4.456 -15.430 1.00 52.54 H new ATOM 0 HA CYS A 35 10.922 4.951 -17.230 1.00 31.55 H new ATOM 0 HB2 CYS A 35 9.506 5.142 -15.141 1.00 11.41 H new ATOM 0 HB3 CYS A 35 10.492 3.697 -15.250 1.00 11.41 H new ATOM 0 HG CYS A 35 11.695 6.375 -13.500 1.00 13.12 H new ATOM 551 N GLY A 36 10.574 7.376 -17.489 1.00 33.13 N ATOM 552 CA GLY A 36 10.317 8.795 -17.644 1.00 22.01 C ATOM 553 C GLY A 36 11.565 9.573 -18.013 1.00 2.31 C ATOM 554 O GLY A 36 11.662 10.770 -17.740 1.00 12.12 O ATOM 0 H GLY A 36 10.350 6.808 -18.306 1.00 33.13 H new ATOM 0 HA2 GLY A 36 9.560 8.942 -18.414 1.00 22.01 H new ATOM 0 HA3 GLY A 36 9.907 9.191 -16.715 1.00 22.01 H new ATOM 558 N SER A 37 12.524 8.892 -18.632 1.00 14.13 N ATOM 559 CA SER A 37 13.774 9.526 -19.033 1.00 31.10 C ATOM 560 C SER A 37 13.728 9.939 -20.500 1.00 73.20 C ATOM 561 O SER A 37 12.879 9.474 -21.263 1.00 73.03 O ATOM 562 CB SER A 37 14.951 8.576 -18.796 1.00 61.42 C ATOM 563 OG SER A 37 16.140 9.082 -19.378 1.00 54.42 O ATOM 0 H SER A 37 12.459 7.901 -18.867 1.00 14.13 H new ATOM 0 HA SER A 37 13.910 10.421 -18.426 1.00 31.10 H new ATOM 0 HB2 SER A 37 15.098 8.434 -17.725 1.00 61.42 H new ATOM 0 HB3 SER A 37 14.723 7.597 -19.219 1.00 61.42 H new ATOM 0 HG SER A 37 16.877 8.458 -19.211 1.00 54.42 H new ATOM 569 N THR A 38 14.646 10.818 -20.891 1.00 25.44 N ATOM 570 CA THR A 38 14.709 11.297 -22.266 1.00 13.34 C ATOM 571 C THR A 38 16.064 10.986 -22.894 1.00 44.22 C ATOM 572 O THR A 38 17.022 10.653 -22.195 1.00 73.14 O ATOM 573 CB THR A 38 14.456 12.814 -22.345 1.00 44.44 C ATOM 574 OG1 THR A 38 15.596 13.527 -21.852 1.00 11.42 O ATOM 575 CG2 THR A 38 13.223 13.199 -21.541 1.00 11.40 C ATOM 0 H THR A 38 15.356 11.212 -20.274 1.00 25.44 H new ATOM 0 HA THR A 38 13.926 10.777 -22.818 1.00 13.34 H new ATOM 0 HB THR A 38 14.287 13.079 -23.389 1.00 44.44 H new ATOM 0 HG1 THR A 38 15.428 14.491 -21.907 1.00 11.42 H new ATOM 0 HG21 THR A 38 13.064 14.275 -21.611 1.00 11.40 H new ATOM 0 HG22 THR A 38 12.352 12.677 -21.938 1.00 11.40 H new ATOM 0 HG23 THR A 38 13.368 12.921 -20.497 1.00 11.40 H new ATOM 583 N VAL A 39 16.137 11.097 -24.216 1.00 70.42 N ATOM 584 CA VAL A 39 17.375 10.830 -24.938 1.00 33.14 C ATOM 585 C VAL A 39 18.537 11.621 -24.348 1.00 42.12 C ATOM 586 O VAL A 39 19.556 11.050 -23.956 1.00 10.21 O ATOM 587 CB VAL A 39 17.240 11.177 -26.433 1.00 65.42 C ATOM 588 CG1 VAL A 39 18.549 10.918 -27.162 1.00 4.01 C ATOM 589 CG2 VAL A 39 16.104 10.383 -27.062 1.00 35.23 C ATOM 0 H VAL A 39 15.353 11.370 -24.809 1.00 70.42 H new ATOM 0 HA VAL A 39 17.576 9.763 -24.837 1.00 33.14 H new ATOM 0 HB VAL A 39 17.006 12.238 -26.523 1.00 65.42 H new ATOM 0 HG11 VAL A 39 18.434 11.169 -28.216 1.00 4.01 H new ATOM 0 HG12 VAL A 39 19.336 11.533 -26.726 1.00 4.01 H new ATOM 0 HG13 VAL A 39 18.817 9.866 -27.067 1.00 4.01 H new ATOM 0 HG21 VAL A 39 16.022 10.640 -28.118 1.00 35.23 H new ATOM 0 HG22 VAL A 39 16.307 9.317 -26.962 1.00 35.23 H new ATOM 0 HG23 VAL A 39 15.169 10.623 -26.556 1.00 35.23 H new ATOM 599 N LEU A 40 18.379 12.938 -24.287 1.00 4.40 N ATOM 600 CA LEU A 40 19.416 13.810 -23.745 1.00 4.13 C ATOM 601 C LEU A 40 19.775 13.403 -22.319 1.00 3.52 C ATOM 602 O LEU A 40 20.934 13.491 -21.912 1.00 65.40 O ATOM 603 CB LEU A 40 18.949 15.266 -23.769 1.00 11.34 C ATOM 604 CG LEU A 40 18.580 15.830 -25.142 1.00 34.30 C ATOM 605 CD1 LEU A 40 17.079 15.734 -25.372 1.00 31.55 C ATOM 606 CD2 LEU A 40 19.051 17.271 -25.271 1.00 22.30 C ATOM 0 H LEU A 40 17.542 13.426 -24.606 1.00 4.40 H new ATOM 0 HA LEU A 40 20.305 13.710 -24.368 1.00 4.13 H new ATOM 0 HB2 LEU A 40 18.082 15.359 -23.115 1.00 11.34 H new ATOM 0 HB3 LEU A 40 19.738 15.887 -23.343 1.00 11.34 H new ATOM 0 HG LEU A 40 19.082 15.236 -25.905 1.00 34.30 H new ATOM 0 HD11 LEU A 40 16.835 16.140 -26.354 1.00 31.55 H new ATOM 0 HD12 LEU A 40 16.770 14.690 -25.324 1.00 31.55 H new ATOM 0 HD13 LEU A 40 16.556 16.303 -24.604 1.00 31.55 H new ATOM 0 HD21 LEU A 40 18.780 17.656 -26.254 1.00 22.30 H new ATOM 0 HD22 LEU A 40 18.577 17.879 -24.500 1.00 22.30 H new ATOM 0 HD23 LEU A 40 20.134 17.312 -25.151 1.00 22.30 H new ATOM 618 N ASP A 41 18.776 12.957 -21.566 1.00 72.45 N ATOM 619 CA ASP A 41 18.989 12.534 -20.187 1.00 42.14 C ATOM 620 C ASP A 41 19.727 11.200 -20.135 1.00 25.23 C ATOM 621 O ASP A 41 20.420 10.898 -19.163 1.00 10.41 O ATOM 622 CB ASP A 41 17.651 12.420 -19.454 1.00 13.44 C ATOM 623 CG ASP A 41 17.661 13.132 -18.116 1.00 24.42 C ATOM 624 OD1 ASP A 41 18.256 14.227 -18.030 1.00 41.20 O ATOM 625 OD2 ASP A 41 17.074 12.595 -17.153 1.00 64.23 O1- ATOM 0 H ASP A 41 17.811 12.879 -21.887 1.00 72.45 H new ATOM 0 HA ASP A 41 19.603 13.287 -19.693 1.00 42.14 H new ATOM 0 HB2 ASP A 41 16.861 12.838 -20.079 1.00 13.44 H new ATOM 0 HB3 ASP A 41 17.413 11.367 -19.300 1.00 13.44 H new ATOM 630 N VAL A 42 19.571 10.402 -21.187 1.00 2.11 N ATOM 631 CA VAL A 42 20.222 9.100 -21.262 1.00 13.25 C ATOM 632 C VAL A 42 21.701 9.244 -21.602 1.00 11.24 C ATOM 633 O VAL A 42 22.548 8.552 -21.039 1.00 54.34 O ATOM 634 CB VAL A 42 19.550 8.196 -22.313 1.00 43.20 C ATOM 635 CG1 VAL A 42 20.285 6.869 -22.425 1.00 3.53 C ATOM 636 CG2 VAL A 42 18.085 7.976 -21.968 1.00 61.21 C ATOM 0 H VAL A 42 18.999 10.635 -21.999 1.00 2.11 H new ATOM 0 HA VAL A 42 20.121 8.639 -20.280 1.00 13.25 H new ATOM 0 HB VAL A 42 19.601 8.695 -23.281 1.00 43.20 H new ATOM 0 HG11 VAL A 42 19.796 6.244 -23.172 1.00 3.53 H new ATOM 0 HG12 VAL A 42 21.318 7.049 -22.723 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.269 6.362 -21.460 1.00 3.53 H new ATOM 0 HG21 VAL A 42 17.626 7.335 -22.721 1.00 61.21 H new ATOM 0 HG22 VAL A 42 18.009 7.499 -20.991 1.00 61.21 H new ATOM 0 HG23 VAL A 42 17.569 8.936 -21.945 1.00 61.21 H new ATOM 646 N ALA A 43 22.005 10.147 -22.529 1.00 21.42 N ATOM 647 CA ALA A 43 23.382 10.384 -22.943 1.00 20.42 C ATOM 648 C ALA A 43 24.266 10.716 -21.746 1.00 42.52 C ATOM 649 O ALA A 43 25.461 10.420 -21.743 1.00 14.32 O ATOM 650 CB ALA A 43 23.439 11.504 -23.971 1.00 62.22 C ATOM 0 H ALA A 43 21.315 10.726 -23.007 1.00 21.42 H new ATOM 0 HA ALA A 43 23.761 9.469 -23.398 1.00 20.42 H new ATOM 0 HB1 ALA A 43 24.474 11.670 -24.271 1.00 62.22 H new ATOM 0 HB2 ALA A 43 22.848 11.227 -24.844 1.00 62.22 H new ATOM 0 HB3 ALA A 43 23.036 12.418 -23.535 1.00 62.22 H new ATOM 656 N HIS A 44 23.671 11.334 -20.730 1.00 12.51 N ATOM 657 CA HIS A 44 24.406 11.707 -19.526 1.00 50.24 C ATOM 658 C HIS A 44 24.702 10.480 -18.669 1.00 54.31 C ATOM 659 O HIS A 44 25.655 10.471 -17.889 1.00 12.45 O ATOM 660 CB HIS A 44 23.610 12.730 -18.715 1.00 75.20 C ATOM 661 CG HIS A 44 24.459 13.565 -17.806 1.00 61.53 C ATOM 662 ND1 HIS A 44 25.582 14.240 -18.236 1.00 44.12 N ATOM 663 CD2 HIS A 44 24.343 13.833 -16.485 1.00 13.23 C ATOM 664 CE1 HIS A 44 26.120 14.886 -17.217 1.00 32.52 C ATOM 665 NE2 HIS A 44 25.388 14.656 -16.143 1.00 53.52 N ATOM 0 H HIS A 44 22.683 11.587 -20.716 1.00 12.51 H new ATOM 0 HA HIS A 44 25.353 12.153 -19.830 1.00 50.24 H new ATOM 0 HB2 HIS A 44 23.072 13.385 -19.400 1.00 75.20 H new ATOM 0 HB3 HIS A 44 22.861 12.207 -18.120 1.00 75.20 H new ATOM 0 HD2 HIS A 44 23.572 13.468 -15.823 1.00 13.23 H new ATOM 0 HE1 HIS A 44 27.009 15.499 -17.256 1.00 32.52 H new ATOM 0 HE2 HIS A 44 25.569 15.029 -15.211 1.00 53.52 H new ATOM 673 N LYS A 45 23.881 9.447 -18.819 1.00 13.22 N ATOM 674 CA LYS A 45 24.055 8.214 -18.060 1.00 44.10 C ATOM 675 C LYS A 45 25.199 7.381 -18.630 1.00 71.53 C ATOM 676 O LYS A 45 26.124 7.008 -17.911 1.00 73.03 O ATOM 677 CB LYS A 45 22.761 7.398 -18.071 1.00 74.53 C ATOM 678 CG LYS A 45 21.539 8.188 -17.634 1.00 40.45 C ATOM 679 CD LYS A 45 21.640 8.610 -16.178 1.00 63.15 C ATOM 680 CE LYS A 45 21.250 7.477 -15.241 1.00 32.12 C ATOM 681 NZ LYS A 45 20.958 7.970 -13.867 1.00 61.40 N1+ ATOM 0 H LYS A 45 23.088 9.439 -19.460 1.00 13.22 H new ATOM 0 HA LYS A 45 24.301 8.481 -17.032 1.00 44.10 H new ATOM 0 HB2 LYS A 45 22.593 7.012 -19.077 1.00 74.53 H new ATOM 0 HB3 LYS A 45 22.880 6.536 -17.415 1.00 74.53 H new ATOM 0 HG2 LYS A 45 21.431 9.071 -18.263 1.00 40.45 H new ATOM 0 HG3 LYS A 45 20.643 7.584 -17.777 1.00 40.45 H new ATOM 0 HD2 LYS A 45 22.659 8.929 -15.960 1.00 63.15 H new ATOM 0 HD3 LYS A 45 20.993 9.469 -16.001 1.00 63.15 H new ATOM 0 HE2 LYS A 45 20.374 6.964 -15.637 1.00 32.12 H new ATOM 0 HE3 LYS A 45 22.057 6.745 -15.201 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 20.696 7.168 -13.259 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 21.802 8.438 -13.479 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 20.171 8.649 -13.902 1.00 61.40 H new ATOM 695 N ASN A 46 25.129 7.096 -19.926 1.00 44.51 N ATOM 696 CA ASN A 46 26.159 6.308 -20.592 1.00 43.23 C ATOM 697 C ASN A 46 27.394 7.156 -20.875 1.00 15.11 C ATOM 698 O ASN A 46 28.462 6.632 -21.189 1.00 20.00 O ATOM 699 CB ASN A 46 25.619 5.722 -21.898 1.00 55.02 C ATOM 700 CG ASN A 46 25.096 6.791 -22.838 1.00 74.42 C ATOM 701 OD1 ASN A 46 25.258 7.986 -22.589 1.00 22.42 O ATOM 702 ND2 ASN A 46 24.466 6.365 -23.927 1.00 50.43 N ATOM 0 H ASN A 46 24.370 7.399 -20.536 1.00 44.51 H new ATOM 0 HA ASN A 46 26.444 5.493 -19.927 1.00 43.23 H new ATOM 0 HB2 ASN A 46 26.410 5.160 -22.395 1.00 55.02 H new ATOM 0 HB3 ASN A 46 24.819 5.016 -21.673 1.00 55.02 H new ATOM 0 HD21 ASN A 46 24.094 7.038 -24.597 1.00 50.43 H new ATOM 0 HD22 ASN A 46 24.355 5.365 -24.093 1.00 50.43 H new ATOM 709 N GLY A 47 27.241 8.472 -20.761 1.00 71.54 N ATOM 710 CA GLY A 47 28.353 9.373 -21.008 1.00 65.12 C ATOM 711 C GLY A 47 28.382 9.879 -22.436 1.00 62.25 C ATOM 712 O GLY A 47 29.114 10.816 -22.756 1.00 22.30 O ATOM 0 H GLY A 47 26.367 8.930 -20.502 1.00 71.54 H new ATOM 0 HA2 GLY A 47 28.288 10.221 -20.326 1.00 65.12 H new ATOM 0 HA3 GLY A 47 29.289 8.859 -20.789 1.00 65.12 H new ATOM 716 N VAL A 48 27.585 9.257 -23.300 1.00 31.22 N ATOM 717 CA VAL A 48 27.524 9.649 -24.703 1.00 41.02 C ATOM 718 C VAL A 48 27.143 11.119 -24.847 1.00 3.44 C ATOM 719 O VAL A 48 26.328 11.637 -24.083 1.00 22.32 O ATOM 720 CB VAL A 48 26.512 8.789 -25.482 1.00 34.34 C ATOM 721 CG1 VAL A 48 26.386 9.281 -26.916 1.00 23.24 C ATOM 722 CG2 VAL A 48 26.920 7.324 -25.447 1.00 32.44 C ATOM 0 H VAL A 48 26.973 8.480 -23.052 1.00 31.22 H new ATOM 0 HA VAL A 48 28.519 9.492 -25.119 1.00 41.02 H new ATOM 0 HB VAL A 48 25.537 8.883 -25.003 1.00 34.34 H new ATOM 0 HG11 VAL A 48 25.667 8.661 -27.451 1.00 23.24 H new ATOM 0 HG12 VAL A 48 26.045 10.316 -26.917 1.00 23.24 H new ATOM 0 HG13 VAL A 48 27.356 9.218 -27.409 1.00 23.24 H new ATOM 0 HG21 VAL A 48 26.194 6.731 -26.002 1.00 32.44 H new ATOM 0 HG22 VAL A 48 27.905 7.210 -25.900 1.00 32.44 H new ATOM 0 HG23 VAL A 48 26.954 6.981 -24.413 1.00 32.44 H new ATOM 732 N ASP A 49 27.737 11.785 -25.831 1.00 40.14 N ATOM 733 CA ASP A 49 27.459 13.195 -26.076 1.00 14.22 C ATOM 734 C ASP A 49 26.803 13.390 -27.440 1.00 34.02 C ATOM 735 O ASP A 49 27.468 13.742 -28.414 1.00 75.21 O ATOM 736 CB ASP A 49 28.749 14.012 -25.994 1.00 52.55 C ATOM 737 CG ASP A 49 28.496 15.504 -26.091 1.00 23.12 C ATOM 738 OD1 ASP A 49 27.604 16.004 -25.372 1.00 1.55 O ATOM 739 OD2 ASP A 49 29.188 16.173 -26.887 1.00 61.21 O1- ATOM 0 H ASP A 49 28.414 11.371 -26.472 1.00 40.14 H new ATOM 0 HA ASP A 49 26.768 13.544 -25.308 1.00 14.22 H new ATOM 0 HB2 ASP A 49 29.256 13.793 -25.054 1.00 52.55 H new ATOM 0 HB3 ASP A 49 29.420 13.707 -26.797 1.00 52.55 H new ATOM 744 N LEU A 50 25.497 13.159 -27.502 1.00 12.10 N ATOM 745 CA LEU A 50 24.751 13.307 -28.746 1.00 14.20 C ATOM 746 C LEU A 50 24.307 14.754 -28.945 1.00 31.24 C ATOM 747 O LEU A 50 23.503 15.277 -28.175 1.00 24.23 O ATOM 748 CB LEU A 50 23.533 12.384 -28.747 1.00 11.15 C ATOM 749 CG LEU A 50 23.792 10.931 -29.150 1.00 12.15 C ATOM 750 CD1 LEU A 50 22.793 10.004 -28.476 1.00 70.43 C ATOM 751 CD2 LEU A 50 23.728 10.777 -30.662 1.00 5.33 C ATOM 0 H LEU A 50 24.932 12.868 -26.704 1.00 12.10 H new ATOM 0 HA LEU A 50 25.409 13.030 -29.570 1.00 14.20 H new ATOM 0 HB2 LEU A 50 23.096 12.391 -27.748 1.00 11.15 H new ATOM 0 HB3 LEU A 50 22.787 12.800 -29.424 1.00 11.15 H new ATOM 0 HG LEU A 50 24.793 10.656 -28.819 1.00 12.15 H new ATOM 0 HD11 LEU A 50 22.993 8.975 -28.775 1.00 70.43 H new ATOM 0 HD12 LEU A 50 22.887 10.093 -27.394 1.00 70.43 H new ATOM 0 HD13 LEU A 50 21.782 10.279 -28.776 1.00 70.43 H new ATOM 0 HD21 LEU A 50 23.915 9.737 -30.930 1.00 5.33 H new ATOM 0 HD22 LEU A 50 22.740 11.071 -31.016 1.00 5.33 H new ATOM 0 HD23 LEU A 50 24.483 11.412 -31.125 1.00 5.33 H new ATOM 905 N CYS A 63 14.046 14.372 -33.969 1.00 12.42 N ATOM 906 CA CYS A 63 12.889 13.954 -34.753 1.00 3.52 C ATOM 907 C CYS A 63 13.311 13.032 -35.895 1.00 2.45 C ATOM 908 O CYS A 63 12.988 11.844 -35.900 1.00 4.13 O ATOM 909 CB CYS A 63 12.157 15.175 -35.312 1.00 25.53 C ATOM 910 SG CYS A 63 11.857 16.487 -34.086 1.00 22.10 S ATOM 0 HA CYS A 63 12.215 13.405 -34.096 1.00 3.52 H new ATOM 0 HB2 CYS A 63 12.739 15.588 -36.136 1.00 25.53 H new ATOM 0 HB3 CYS A 63 11.201 14.854 -35.726 1.00 25.53 H new ATOM 0 HG CYS A 63 11.235 17.477 -34.654 1.00 22.10 H new ATOM 915 N HIS A 64 14.036 13.590 -36.860 1.00 63.44 N ATOM 916 CA HIS A 64 14.502 12.819 -38.008 1.00 3.42 C ATOM 917 C HIS A 64 15.699 11.951 -37.628 1.00 30.22 C ATOM 918 O HIS A 64 16.844 12.293 -37.923 1.00 61.33 O ATOM 919 CB HIS A 64 14.878 13.753 -39.158 1.00 52.43 C ATOM 920 CG HIS A 64 14.771 13.114 -40.508 1.00 13.30 C ATOM 921 ND1 HIS A 64 15.553 12.049 -40.902 1.00 62.35 N ATOM 922 CD2 HIS A 64 13.964 13.395 -41.558 1.00 65.44 C ATOM 923 CE1 HIS A 64 15.234 11.704 -42.136 1.00 13.15 C ATOM 924 NE2 HIS A 64 14.271 12.504 -42.557 1.00 23.12 N ATOM 0 H HIS A 64 14.313 14.572 -36.870 1.00 63.44 H new ATOM 0 HA HIS A 64 13.690 12.167 -38.331 1.00 3.42 H new ATOM 0 HB2 HIS A 64 14.232 14.631 -39.128 1.00 52.43 H new ATOM 0 HB3 HIS A 64 15.900 14.104 -39.011 1.00 52.43 H new ATOM 0 HD2 HIS A 64 13.218 14.175 -41.602 1.00 65.44 H new ATOM 0 HE1 HIS A 64 15.684 10.904 -42.705 1.00 13.15 H new ATOM 0 HE2 HIS A 64 13.827 12.466 -43.475 1.00 23.12 H new ATOM 932 N VAL A 65 15.425 10.828 -36.972 1.00 61.11 N ATOM 933 CA VAL A 65 16.478 9.911 -36.553 1.00 32.34 C ATOM 934 C VAL A 65 16.180 8.487 -37.006 1.00 22.50 C ATOM 935 O VAL A 65 15.030 8.136 -37.267 1.00 34.33 O ATOM 936 CB VAL A 65 16.659 9.925 -35.023 1.00 11.13 C ATOM 937 CG1 VAL A 65 17.963 9.249 -34.632 1.00 72.25 C ATOM 938 CG2 VAL A 65 16.608 11.350 -34.493 1.00 23.01 C ATOM 0 H VAL A 65 14.482 10.531 -36.719 1.00 61.11 H new ATOM 0 HA VAL A 65 17.400 10.252 -37.023 1.00 32.34 H new ATOM 0 HB VAL A 65 15.839 9.365 -34.574 1.00 11.13 H new ATOM 0 HG11 VAL A 65 18.072 9.269 -33.548 1.00 72.25 H new ATOM 0 HG12 VAL A 65 17.954 8.215 -34.977 1.00 72.25 H new ATOM 0 HG13 VAL A 65 18.799 9.777 -35.091 1.00 72.25 H new ATOM 0 HG21 VAL A 65 16.738 11.341 -33.411 1.00 23.01 H new ATOM 0 HG22 VAL A 65 17.406 11.937 -34.949 1.00 23.01 H new ATOM 0 HG23 VAL A 65 15.644 11.795 -34.739 1.00 23.01 H new ATOM 948 N ILE A 66 17.224 7.670 -37.096 1.00 21.12 N ATOM 949 CA ILE A 66 17.074 6.282 -37.516 1.00 32.41 C ATOM 950 C ILE A 66 16.834 5.369 -36.320 1.00 54.10 C ATOM 951 O ILE A 66 17.558 5.427 -35.324 1.00 14.31 O ATOM 952 CB ILE A 66 18.315 5.789 -38.284 1.00 13.50 C ATOM 953 CG1 ILE A 66 18.554 6.656 -39.522 1.00 41.34 C ATOM 954 CG2 ILE A 66 18.148 4.328 -38.677 1.00 64.43 C ATOM 955 CD1 ILE A 66 19.742 7.583 -39.390 1.00 62.21 C ATOM 0 H ILE A 66 18.183 7.945 -36.884 1.00 21.12 H new ATOM 0 HA ILE A 66 16.209 6.244 -38.178 1.00 32.41 H new ATOM 0 HB ILE A 66 19.185 5.873 -37.632 1.00 13.50 H new ATOM 0 HG12 ILE A 66 18.703 6.008 -40.386 1.00 41.34 H new ATOM 0 HG13 ILE A 66 17.661 7.249 -39.718 1.00 41.34 H new ATOM 0 HG21 ILE A 66 19.033 3.994 -39.219 1.00 64.43 H new ATOM 0 HG22 ILE A 66 18.021 3.722 -37.780 1.00 64.43 H new ATOM 0 HG23 ILE A 66 17.270 4.221 -39.314 1.00 64.43 H new ATOM 0 HD11 ILE A 66 19.851 8.167 -40.304 1.00 62.21 H new ATOM 0 HD12 ILE A 66 19.587 8.256 -38.546 1.00 62.21 H new ATOM 0 HD13 ILE A 66 20.645 6.996 -39.224 1.00 62.21 H new ATOM 967 N LEU A 67 15.814 4.523 -36.423 1.00 62.31 N ATOM 968 CA LEU A 67 15.479 3.594 -35.349 1.00 64.04 C ATOM 969 C LEU A 67 15.418 2.161 -35.868 1.00 12.11 C ATOM 970 O LEU A 67 15.341 1.931 -37.074 1.00 61.41 O ATOM 971 CB LEU A 67 14.139 3.977 -34.718 1.00 53.02 C ATOM 972 CG LEU A 67 13.856 3.386 -33.336 1.00 54.25 C ATOM 973 CD1 LEU A 67 14.925 3.815 -32.342 1.00 12.14 C ATOM 974 CD2 LEU A 67 12.476 3.803 -32.850 1.00 10.33 C ATOM 0 H LEU A 67 15.205 4.461 -37.239 1.00 62.31 H new ATOM 0 HA LEU A 67 16.261 3.654 -34.592 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.092 5.063 -34.643 1.00 53.02 H new ATOM 0 HB3 LEU A 67 13.341 3.669 -35.393 1.00 53.02 H new ATOM 0 HG LEU A 67 13.878 2.299 -33.416 1.00 54.25 H new ATOM 0 HD11 LEU A 67 14.707 3.385 -31.365 1.00 12.14 H new ATOM 0 HD12 LEU A 67 15.900 3.466 -32.683 1.00 12.14 H new ATOM 0 HD13 LEU A 67 14.936 4.902 -32.266 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.292 3.373 -31.865 1.00 10.33 H new ATOM 0 HD22 LEU A 67 12.426 4.890 -32.787 1.00 10.33 H new ATOM 0 HD23 LEU A 67 11.720 3.445 -33.549 1.00 10.33 H new ATOM 986 N GLU A 68 15.452 1.202 -34.949 1.00 71.02 N ATOM 987 CA GLU A 68 15.399 -0.208 -35.315 1.00 2.24 C ATOM 988 C GLU A 68 14.396 -0.441 -36.441 1.00 45.14 C ATOM 989 O GLU A 68 13.308 0.132 -36.445 1.00 70.41 O ATOM 990 CB GLU A 68 15.025 -1.060 -34.100 1.00 2.12 C ATOM 991 CG GLU A 68 16.153 -1.952 -33.611 1.00 61.11 C ATOM 992 CD GLU A 68 16.778 -2.768 -34.725 1.00 60.41 C ATOM 993 OE1 GLU A 68 17.773 -2.298 -35.317 1.00 23.25 O ATOM 994 OE2 GLU A 68 16.272 -3.874 -35.006 1.00 54.52 O1- ATOM 0 H GLU A 68 15.516 1.376 -33.946 1.00 71.02 H new ATOM 0 HA GLU A 68 16.388 -0.503 -35.666 1.00 2.24 H new ATOM 0 HB2 GLU A 68 14.715 -0.403 -33.288 1.00 2.12 H new ATOM 0 HB3 GLU A 68 14.166 -1.681 -34.353 1.00 2.12 H new ATOM 0 HG2 GLU A 68 16.921 -1.336 -33.143 1.00 61.11 H new ATOM 0 HG3 GLU A 68 15.772 -2.625 -32.843 1.00 61.11 H new ATOM 1001 N GLU A 69 14.774 -1.287 -37.396 1.00 22.44 N ATOM 1002 CA GLU A 69 13.908 -1.594 -38.528 1.00 73.04 C ATOM 1003 C GLU A 69 12.600 -2.223 -38.059 1.00 43.43 C ATOM 1004 O GLU A 69 11.509 -1.713 -38.315 1.00 23.14 O ATOM 1005 CB GLU A 69 14.619 -2.537 -39.501 1.00 71.35 C ATOM 1006 CG GLU A 69 14.755 -1.973 -40.906 1.00 42.54 C ATOM 1007 CD GLU A 69 16.064 -2.360 -41.565 1.00 13.13 C ATOM 1008 OE1 GLU A 69 16.212 -3.542 -41.940 1.00 54.15 O ATOM 1009 OE2 GLU A 69 16.940 -1.482 -41.707 1.00 42.34 O1- ATOM 0 H GLU A 69 15.672 -1.770 -37.408 1.00 22.44 H new ATOM 0 HA GLU A 69 13.678 -0.659 -39.040 1.00 73.04 H new ATOM 0 HB2 GLU A 69 15.612 -2.765 -39.113 1.00 71.35 H new ATOM 0 HB3 GLU A 69 14.071 -3.478 -39.548 1.00 71.35 H new ATOM 0 HG2 GLU A 69 13.926 -2.328 -41.518 1.00 42.54 H new ATOM 0 HG3 GLU A 69 14.680 -0.886 -40.866 1.00 42.54 H new ATOM 1016 N PRO A 70 12.709 -3.359 -37.353 1.00 54.22 N ATOM 1017 CA PRO A 70 11.546 -4.083 -36.831 1.00 20.10 C ATOM 1018 C PRO A 70 10.855 -3.330 -35.699 1.00 1.22 C ATOM 1019 O PRO A 70 9.635 -3.160 -35.707 1.00 33.25 O ATOM 1020 CB PRO A 70 12.145 -5.393 -36.316 1.00 54.11 C ATOM 1021 CG PRO A 70 13.565 -5.064 -36.005 1.00 53.54 C ATOM 1022 CD PRO A 70 13.978 -4.023 -37.009 1.00 23.21 C ATOM 0 HA PRO A 70 10.777 -4.221 -37.591 1.00 20.10 H new ATOM 0 HB2 PRO A 70 11.618 -5.748 -35.431 1.00 54.11 H new ATOM 0 HB3 PRO A 70 12.076 -6.181 -37.066 1.00 54.11 H new ATOM 0 HG2 PRO A 70 13.664 -4.686 -34.987 1.00 53.54 H new ATOM 0 HG3 PRO A 70 14.196 -5.950 -36.079 1.00 53.54 H new ATOM 0 HD2 PRO A 70 14.697 -3.321 -36.587 1.00 23.21 H new ATOM 0 HD3 PRO A 70 14.447 -4.473 -37.884 1.00 23.21 H new ATOM 1030 N LEU A 71 11.641 -2.882 -34.727 1.00 73.21 N ATOM 1031 CA LEU A 71 11.105 -2.147 -33.587 1.00 71.13 C ATOM 1032 C LEU A 71 10.240 -0.979 -34.050 1.00 14.24 C ATOM 1033 O LEU A 71 9.116 -0.800 -33.579 1.00 22.31 O ATOM 1034 CB LEU A 71 12.243 -1.634 -32.704 1.00 11.33 C ATOM 1035 CG LEU A 71 11.890 -1.369 -31.239 1.00 51.51 C ATOM 1036 CD1 LEU A 71 12.720 -2.253 -30.321 1.00 70.15 C ATOM 1037 CD2 LEU A 71 12.098 0.100 -30.899 1.00 52.41 C ATOM 0 H LEU A 71 12.652 -3.015 -34.705 1.00 73.21 H new ATOM 0 HA LEU A 71 10.483 -2.829 -33.007 1.00 71.13 H new ATOM 0 HB2 LEU A 71 13.056 -2.360 -32.735 1.00 11.33 H new ATOM 0 HB3 LEU A 71 12.624 -0.710 -33.138 1.00 11.33 H new ATOM 0 HG LEU A 71 10.838 -1.612 -31.089 1.00 51.51 H new ATOM 0 HD11 LEU A 71 12.455 -2.050 -29.283 1.00 70.15 H new ATOM 0 HD12 LEU A 71 12.522 -3.301 -30.548 1.00 70.15 H new ATOM 0 HD13 LEU A 71 13.779 -2.043 -30.473 1.00 70.15 H new ATOM 0 HD21 LEU A 71 11.842 0.271 -29.853 1.00 52.41 H new ATOM 0 HD22 LEU A 71 13.141 0.368 -31.066 1.00 52.41 H new ATOM 0 HD23 LEU A 71 11.460 0.714 -31.534 1.00 52.41 H new ATOM 1049 N TYR A 72 10.770 -0.189 -34.976 1.00 23.13 N ATOM 1050 CA TYR A 72 10.047 0.963 -35.503 1.00 72.33 C ATOM 1051 C TYR A 72 8.800 0.521 -36.264 1.00 64.33 C ATOM 1052 O TYR A 72 7.700 1.012 -36.012 1.00 54.01 O ATOM 1053 CB TYR A 72 10.953 1.785 -36.421 1.00 62.53 C ATOM 1054 CG TYR A 72 10.267 2.984 -37.035 1.00 74.02 C ATOM 1055 CD1 TYR A 72 9.546 2.868 -38.218 1.00 13.23 C ATOM 1056 CD2 TYR A 72 10.339 4.235 -36.433 1.00 33.42 C ATOM 1057 CE1 TYR A 72 8.918 3.961 -38.781 1.00 74.45 C ATOM 1058 CE2 TYR A 72 9.712 5.332 -36.989 1.00 12.54 C ATOM 1059 CZ TYR A 72 9.004 5.191 -38.164 1.00 14.41 C ATOM 1060 OH TYR A 72 8.380 6.283 -38.723 1.00 23.11 O ATOM 0 H TYR A 72 11.698 -0.325 -35.378 1.00 23.13 H new ATOM 0 HA TYR A 72 9.738 1.582 -34.661 1.00 72.33 H new ATOM 0 HB2 TYR A 72 11.819 2.124 -35.853 1.00 62.53 H new ATOM 0 HB3 TYR A 72 11.326 1.143 -37.219 1.00 62.53 H new ATOM 0 HD1 TYR A 72 9.476 1.907 -38.705 1.00 13.23 H new ATOM 0 HD2 TYR A 72 10.895 4.351 -35.514 1.00 33.42 H new ATOM 0 HE1 TYR A 72 8.362 3.853 -39.701 1.00 74.45 H new ATOM 0 HE2 TYR A 72 9.776 6.296 -36.506 1.00 12.54 H new ATOM 0 HH TYR A 72 9.031 7.005 -38.844 1.00 23.11 H new ATOM 1070 N ARG A 73 8.981 -0.408 -37.195 1.00 65.44 N ATOM 1071 CA ARG A 73 7.873 -0.918 -37.994 1.00 14.13 C ATOM 1072 C ARG A 73 6.783 -1.502 -37.101 1.00 11.43 C ATOM 1073 O ARG A 73 5.608 -1.527 -37.469 1.00 2.21 O ATOM 1074 CB ARG A 73 8.369 -1.981 -38.975 1.00 24.52 C ATOM 1075 CG ARG A 73 7.619 -1.986 -40.298 1.00 20.20 C ATOM 1076 CD ARG A 73 8.528 -1.603 -41.455 1.00 62.31 C ATOM 1077 NE ARG A 73 9.303 -2.741 -41.943 1.00 14.20 N ATOM 1078 CZ ARG A 73 8.770 -3.765 -42.600 1.00 65.04 C ATOM 1079 NH1 ARG A 73 7.468 -3.792 -42.847 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 9.541 -4.764 -43.012 1.00 13.35 N ATOM 0 H ARG A 73 9.886 -0.824 -37.416 1.00 65.44 H new ATOM 0 HA ARG A 73 7.450 -0.085 -38.556 1.00 14.13 H new ATOM 0 HB2 ARG A 73 9.429 -1.818 -39.169 1.00 24.52 H new ATOM 0 HB3 ARG A 73 8.277 -2.963 -38.511 1.00 24.52 H new ATOM 0 HG2 ARG A 73 7.199 -2.976 -40.476 1.00 20.20 H new ATOM 0 HG3 ARG A 73 6.782 -1.290 -40.246 1.00 20.20 H new ATOM 0 HD2 ARG A 73 7.927 -1.198 -42.269 1.00 62.31 H new ATOM 0 HD3 ARG A 73 9.207 -0.812 -41.136 1.00 62.31 H new ATOM 0 HE ARG A 73 10.308 -2.750 -41.770 1.00 14.20 H new ATOM 0 HH11 ARG A 73 6.873 -3.025 -42.532 1.00 12.32 H new ATOM 0 HH12 ARG A 73 7.061 -4.579 -43.352 1.00 12.32 H new ATOM 0 HH21 ARG A 73 10.543 -4.746 -42.824 1.00 13.35 H new ATOM 0 HH22 ARG A 73 9.131 -5.550 -43.516 1.00 13.35 H new ATOM 1094 N LYS A 74 7.180 -1.973 -35.923 1.00 33.12 N ATOM 1095 CA LYS A 74 6.238 -2.559 -34.976 1.00 31.02 C ATOM 1096 C LYS A 74 5.423 -1.474 -34.280 1.00 63.21 C ATOM 1097 O LYS A 74 4.191 -1.502 -34.295 1.00 75.00 O ATOM 1098 CB LYS A 74 6.985 -3.398 -33.936 1.00 65.31 C ATOM 1099 CG LYS A 74 7.206 -4.839 -34.362 1.00 40.52 C ATOM 1100 CD LYS A 74 7.263 -5.772 -33.164 1.00 34.44 C ATOM 1101 CE LYS A 74 7.213 -7.231 -33.592 1.00 41.15 C ATOM 1102 NZ LYS A 74 8.565 -7.756 -33.930 1.00 30.01 N1+ ATOM 0 H LYS A 74 8.148 -1.960 -35.601 1.00 33.12 H new ATOM 0 HA LYS A 74 5.555 -3.203 -35.530 1.00 31.02 H new ATOM 0 HB2 LYS A 74 7.951 -2.935 -33.734 1.00 65.31 H new ATOM 0 HB3 LYS A 74 6.424 -3.386 -33.001 1.00 65.31 H new ATOM 0 HG2 LYS A 74 6.401 -5.150 -35.028 1.00 40.52 H new ATOM 0 HG3 LYS A 74 8.135 -4.914 -34.927 1.00 40.52 H new ATOM 0 HD2 LYS A 74 8.178 -5.588 -32.601 1.00 34.44 H new ATOM 0 HD3 LYS A 74 6.429 -5.559 -32.495 1.00 34.44 H new ATOM 0 HE2 LYS A 74 6.781 -7.830 -32.791 1.00 41.15 H new ATOM 0 HE3 LYS A 74 6.557 -7.334 -34.456 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 8.489 -8.753 -34.217 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 8.968 -7.201 -34.712 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 9.184 -7.682 -33.098 1.00 30.01 H new ATOM 1116 N LEU A 75 6.116 -0.519 -33.670 1.00 52.50 N ATOM 1117 CA LEU A 75 5.456 0.577 -32.969 1.00 65.55 C ATOM 1118 C LEU A 75 4.633 1.424 -33.933 1.00 75.21 C ATOM 1119 O LEU A 75 3.710 2.128 -33.525 1.00 64.44 O ATOM 1120 CB LEU A 75 6.492 1.452 -32.260 1.00 21.23 C ATOM 1121 CG LEU A 75 7.422 0.733 -31.283 1.00 41.12 C ATOM 1122 CD1 LEU A 75 7.885 1.683 -30.189 1.00 62.14 C ATOM 1123 CD2 LEU A 75 6.730 -0.480 -30.681 1.00 51.32 C ATOM 0 H LEU A 75 7.135 -0.481 -33.647 1.00 52.50 H new ATOM 0 HA LEU A 75 4.783 0.147 -32.227 1.00 65.55 H new ATOM 0 HB2 LEU A 75 7.103 1.943 -33.018 1.00 21.23 H new ATOM 0 HB3 LEU A 75 5.965 2.237 -31.718 1.00 21.23 H new ATOM 0 HG LEU A 75 8.299 0.390 -31.833 1.00 41.12 H new ATOM 0 HD11 LEU A 75 8.546 1.153 -29.503 1.00 62.14 H new ATOM 0 HD12 LEU A 75 8.421 2.520 -30.637 1.00 62.14 H new ATOM 0 HD13 LEU A 75 7.020 2.058 -29.642 1.00 62.14 H new ATOM 0 HD21 LEU A 75 7.408 -0.979 -29.988 1.00 51.32 H new ATOM 0 HD22 LEU A 75 5.835 -0.161 -30.147 1.00 51.32 H new ATOM 0 HD23 LEU A 75 6.450 -1.171 -31.476 1.00 51.32 H new ATOM 1135 N GLY A 76 4.972 1.348 -35.217 1.00 21.42 N ATOM 1136 CA GLY A 76 4.253 2.110 -36.220 1.00 10.52 C ATOM 1137 C GLY A 76 5.155 2.592 -37.340 1.00 14.51 C ATOM 1138 O GLY A 76 6.306 2.959 -37.103 1.00 71.33 O ATOM 0 H GLY A 76 5.732 0.772 -35.580 1.00 21.42 H new ATOM 0 HA2 GLY A 76 3.457 1.494 -36.638 1.00 10.52 H new ATOM 0 HA3 GLY A 76 3.776 2.968 -35.747 1.00 10.52 H new ATOM 1142 N GLU A 77 4.633 2.588 -38.563 1.00 31.22 N ATOM 1143 CA GLU A 77 5.401 3.025 -39.723 1.00 3.31 C ATOM 1144 C GLU A 77 4.571 3.951 -40.607 1.00 55.51 C ATOM 1145 O GLU A 77 3.340 3.939 -40.578 1.00 65.31 O ATOM 1146 CB GLU A 77 5.876 1.817 -40.532 1.00 60.22 C ATOM 1147 CG GLU A 77 4.821 0.733 -40.684 1.00 64.43 C ATOM 1148 CD GLU A 77 4.869 0.059 -42.041 1.00 52.41 C ATOM 1149 OE1 GLU A 77 4.782 -1.185 -42.088 1.00 31.24 O ATOM 1150 OE2 GLU A 77 4.993 0.776 -43.057 1.00 22.41 O1- ATOM 0 H GLU A 77 3.682 2.287 -38.776 1.00 31.22 H new ATOM 0 HA GLU A 77 6.270 3.577 -39.365 1.00 3.31 H new ATOM 0 HB2 GLU A 77 6.186 2.152 -41.522 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.756 1.391 -40.050 1.00 60.22 H new ATOM 0 HG2 GLU A 77 4.961 -0.017 -39.905 1.00 64.43 H new ATOM 0 HG3 GLU A 77 3.833 1.169 -40.534 1.00 64.43 H new ATOM 1157 N PRO A 78 5.260 4.772 -41.414 1.00 13.34 N ATOM 1158 CA PRO A 78 4.607 5.719 -42.322 1.00 21.23 C ATOM 1159 C PRO A 78 3.898 5.019 -43.477 1.00 62.01 C ATOM 1160 O PRO A 78 4.233 3.889 -43.829 1.00 42.25 O ATOM 1161 CB PRO A 78 5.769 6.569 -42.843 1.00 40.44 C ATOM 1162 CG PRO A 78 6.966 5.692 -42.716 1.00 2.43 C ATOM 1163 CD PRO A 78 6.728 4.840 -41.500 1.00 41.44 C ATOM 0 HA PRO A 78 3.830 6.296 -41.820 1.00 21.23 H new ATOM 0 HB2 PRO A 78 5.607 6.870 -43.878 1.00 40.44 H new ATOM 0 HB3 PRO A 78 5.884 7.483 -42.260 1.00 40.44 H new ATOM 0 HG2 PRO A 78 7.094 5.075 -43.606 1.00 2.43 H new ATOM 0 HG3 PRO A 78 7.874 6.285 -42.606 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.170 3.850 -41.610 1.00 41.44 H new ATOM 0 HD3 PRO A 78 7.163 5.286 -40.605 1.00 41.44 H new ATOM 1171 N SER A 79 2.920 5.700 -44.065 1.00 1.54 N ATOM 1172 CA SER A 79 2.162 5.143 -45.178 1.00 22.12 C ATOM 1173 C SER A 79 3.087 4.777 -46.336 1.00 55.34 C ATOM 1174 O SER A 79 4.191 5.308 -46.453 1.00 42.34 O ATOM 1175 CB SER A 79 1.103 6.139 -45.653 1.00 75.41 C ATOM 1176 OG SER A 79 0.427 6.727 -44.555 1.00 71.31 O ATOM 0 H SER A 79 2.634 6.639 -43.789 1.00 1.54 H new ATOM 0 HA SER A 79 1.667 4.237 -44.829 1.00 22.12 H new ATOM 0 HB2 SER A 79 1.574 6.917 -46.253 1.00 75.41 H new ATOM 0 HB3 SER A 79 0.385 5.631 -46.297 1.00 75.41 H new ATOM 0 HG SER A 79 -0.243 7.361 -44.885 1.00 71.31 H new ATOM 1182 N ASP A 80 2.628 3.866 -47.186 1.00 2.42 N ATOM 1183 CA ASP A 80 3.412 3.429 -48.336 1.00 64.33 C ATOM 1184 C ASP A 80 3.896 4.624 -49.150 1.00 41.21 C ATOM 1185 O ASP A 80 4.999 4.612 -49.697 1.00 61.31 O ATOM 1186 CB ASP A 80 2.584 2.494 -49.220 1.00 42.53 C ATOM 1187 CG ASP A 80 3.446 1.672 -50.157 1.00 72.41 C ATOM 1188 OD1 ASP A 80 3.083 1.554 -51.347 1.00 61.52 O ATOM 1189 OD2 ASP A 80 4.482 1.144 -49.702 1.00 62.51 O1- ATOM 0 H ASP A 80 1.717 3.415 -47.101 1.00 2.42 H new ATOM 0 HA ASP A 80 4.283 2.888 -47.966 1.00 64.33 H new ATOM 0 HB2 ASP A 80 1.998 1.826 -48.589 1.00 42.53 H new ATOM 0 HB3 ASP A 80 1.876 3.082 -49.804 1.00 42.53 H new ATOM 1194 N LYS A 81 3.062 5.656 -49.229 1.00 63.24 N ATOM 1195 CA LYS A 81 3.403 6.862 -49.976 1.00 42.30 C ATOM 1196 C LYS A 81 4.759 7.408 -49.539 1.00 52.43 C ATOM 1197 O LYS A 81 5.698 7.466 -50.330 1.00 13.12 O ATOM 1198 CB LYS A 81 2.324 7.929 -49.783 1.00 24.44 C ATOM 1199 CG LYS A 81 0.936 7.473 -50.198 1.00 13.30 C ATOM 1200 CD LYS A 81 0.673 7.754 -51.668 1.00 11.42 C ATOM 1201 CE LYS A 81 1.004 6.549 -52.534 1.00 51.52 C ATOM 1202 NZ LYS A 81 -0.159 5.628 -52.672 1.00 62.13 N1+ ATOM 0 H LYS A 81 2.144 5.681 -48.785 1.00 63.24 H new ATOM 0 HA LYS A 81 3.461 6.601 -51.033 1.00 42.30 H new ATOM 0 HB2 LYS A 81 2.301 8.225 -48.734 1.00 24.44 H new ATOM 0 HB3 LYS A 81 2.594 8.814 -50.359 1.00 24.44 H new ATOM 0 HG2 LYS A 81 0.830 6.405 -50.006 1.00 13.30 H new ATOM 0 HG3 LYS A 81 0.188 7.982 -49.590 1.00 13.30 H new ATOM 0 HD2 LYS A 81 -0.374 8.026 -51.806 1.00 11.42 H new ATOM 0 HD3 LYS A 81 1.269 8.608 -51.988 1.00 11.42 H new ATOM 0 HE2 LYS A 81 1.319 6.887 -53.521 1.00 51.52 H new ATOM 0 HE3 LYS A 81 1.845 6.009 -52.099 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 0.107 4.819 -53.269 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 -0.444 5.285 -51.732 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 -0.954 6.136 -53.111 1.00 62.13 H new ATOM 1216 N GLU A 82 4.851 7.805 -48.274 1.00 13.40 N ATOM 1217 CA GLU A 82 6.092 8.345 -47.732 1.00 22.15 C ATOM 1218 C GLU A 82 7.175 7.273 -47.679 1.00 24.23 C ATOM 1219 O GLU A 82 8.354 7.554 -47.899 1.00 2.21 O ATOM 1220 CB GLU A 82 5.857 8.918 -46.332 1.00 53.12 C ATOM 1221 CG GLU A 82 6.738 10.113 -46.007 1.00 71.53 C ATOM 1222 CD GLU A 82 6.980 10.270 -44.519 1.00 12.30 C ATOM 1223 OE1 GLU A 82 6.978 11.423 -44.038 1.00 14.14 O ATOM 1224 OE2 GLU A 82 7.172 9.244 -43.836 1.00 32.01 O1- ATOM 0 H GLU A 82 4.082 7.763 -47.606 1.00 13.40 H new ATOM 0 HA GLU A 82 6.429 9.144 -48.392 1.00 22.15 H new ATOM 0 HB2 GLU A 82 4.812 9.212 -46.240 1.00 53.12 H new ATOM 0 HB3 GLU A 82 6.034 8.136 -45.594 1.00 53.12 H new ATOM 0 HG2 GLU A 82 7.695 10.004 -46.518 1.00 71.53 H new ATOM 0 HG3 GLU A 82 6.272 11.019 -46.393 1.00 71.53 H new ATOM 1231 N TYR A 83 6.768 6.043 -47.387 1.00 32.52 N ATOM 1232 CA TYR A 83 7.703 4.928 -47.302 1.00 21.41 C ATOM 1233 C TYR A 83 8.485 4.773 -48.603 1.00 74.33 C ATOM 1234 O TYR A 83 9.716 4.798 -48.607 1.00 30.25 O ATOM 1235 CB TYR A 83 6.957 3.631 -46.985 1.00 60.15 C ATOM 1236 CG TYR A 83 7.871 2.466 -46.680 1.00 3.54 C ATOM 1237 CD1 TYR A 83 8.647 1.887 -47.677 1.00 33.43 C ATOM 1238 CD2 TYR A 83 7.957 1.942 -45.396 1.00 72.12 C ATOM 1239 CE1 TYR A 83 9.482 0.821 -47.403 1.00 3.43 C ATOM 1240 CE2 TYR A 83 8.790 0.878 -45.112 1.00 71.42 C ATOM 1241 CZ TYR A 83 9.551 0.321 -46.119 1.00 11.20 C ATOM 1242 OH TYR A 83 10.382 -0.741 -45.842 1.00 41.13 O ATOM 0 H TYR A 83 5.796 5.793 -47.205 1.00 32.52 H new ATOM 0 HA TYR A 83 8.408 5.139 -46.498 1.00 21.41 H new ATOM 0 HB2 TYR A 83 6.299 3.799 -46.132 1.00 60.15 H new ATOM 0 HB3 TYR A 83 6.321 3.371 -47.831 1.00 60.15 H new ATOM 0 HD1 TYR A 83 8.596 2.277 -48.683 1.00 33.43 H new ATOM 0 HD2 TYR A 83 7.361 2.375 -44.606 1.00 72.12 H new ATOM 0 HE1 TYR A 83 10.077 0.382 -48.190 1.00 3.43 H new ATOM 0 HE2 TYR A 83 8.845 0.484 -44.108 1.00 71.42 H new ATOM 0 HH TYR A 83 10.314 -0.970 -44.892 1.00 41.13 H new ATOM 1252 N ASP A 84 7.761 4.611 -49.704 1.00 24.14 N ATOM 1253 CA ASP A 84 8.385 4.454 -51.014 1.00 41.30 C ATOM 1254 C ASP A 84 9.189 5.695 -51.386 1.00 24.23 C ATOM 1255 O ASP A 84 10.290 5.596 -51.928 1.00 11.41 O ATOM 1256 CB ASP A 84 7.322 4.180 -52.078 1.00 33.25 C ATOM 1257 CG ASP A 84 7.810 3.226 -53.152 1.00 12.43 C ATOM 1258 OD1 ASP A 84 9.020 3.250 -53.462 1.00 71.12 O ATOM 1259 OD2 ASP A 84 6.982 2.456 -53.681 1.00 45.14 O1- ATOM 0 H ASP A 84 6.741 4.585 -49.717 1.00 24.14 H new ATOM 0 HA ASP A 84 9.066 3.605 -50.965 1.00 41.30 H new ATOM 0 HB2 ASP A 84 6.434 3.763 -51.602 1.00 33.25 H new ATOM 0 HB3 ASP A 84 7.024 5.121 -52.540 1.00 33.25 H new ATOM 1264 N LEU A 85 8.630 6.865 -51.092 1.00 20.31 N ATOM 1265 CA LEU A 85 9.295 8.128 -51.397 1.00 5.33 C ATOM 1266 C LEU A 85 10.668 8.195 -50.735 1.00 63.15 C ATOM 1267 O LEU A 85 11.624 8.706 -51.319 1.00 64.22 O ATOM 1268 CB LEU A 85 8.434 9.304 -50.933 1.00 32.10 C ATOM 1269 CG LEU A 85 8.528 10.578 -51.775 1.00 40.23 C ATOM 1270 CD1 LEU A 85 7.260 11.405 -51.633 1.00 13.40 C ATOM 1271 CD2 LEU A 85 9.747 11.394 -51.371 1.00 5.43 C ATOM 0 H LEU A 85 7.719 6.965 -50.644 1.00 20.31 H new ATOM 0 HA LEU A 85 9.430 8.188 -52.477 1.00 5.33 H new ATOM 0 HB2 LEU A 85 7.393 8.981 -50.914 1.00 32.10 H new ATOM 0 HB3 LEU A 85 8.711 9.549 -49.908 1.00 32.10 H new ATOM 0 HG LEU A 85 8.636 10.293 -52.822 1.00 40.23 H new ATOM 0 HD11 LEU A 85 7.344 12.307 -52.239 1.00 13.40 H new ATOM 0 HD12 LEU A 85 6.404 10.820 -51.971 1.00 13.40 H new ATOM 0 HD13 LEU A 85 7.121 11.681 -50.588 1.00 13.40 H new ATOM 0 HD21 LEU A 85 9.799 12.297 -51.980 1.00 5.43 H new ATOM 0 HD22 LEU A 85 9.668 11.670 -50.319 1.00 5.43 H new ATOM 0 HD23 LEU A 85 10.649 10.801 -51.524 1.00 5.43 H new ATOM 1283 N ILE A 86 10.757 7.674 -49.516 1.00 45.10 N ATOM 1284 CA ILE A 86 12.013 7.672 -48.777 1.00 32.42 C ATOM 1285 C ILE A 86 12.970 6.619 -49.325 1.00 52.13 C ATOM 1286 O ILE A 86 14.182 6.834 -49.377 1.00 14.31 O ATOM 1287 CB ILE A 86 11.783 7.410 -47.277 1.00 62.20 C ATOM 1288 CG1 ILE A 86 10.848 8.469 -46.690 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.110 7.397 -46.533 1.00 11.21 C ATOM 1290 CD1 ILE A 86 9.969 7.948 -45.574 1.00 63.41 C ATOM 0 H ILE A 86 9.974 7.248 -49.019 1.00 45.10 H new ATOM 0 HA ILE A 86 12.454 8.661 -48.901 1.00 32.42 H new ATOM 0 HB ILE A 86 11.313 6.433 -47.161 1.00 62.20 H new ATOM 0 HG12 ILE A 86 11.444 9.300 -46.314 1.00 10.12 H new ATOM 0 HG13 ILE A 86 10.216 8.865 -47.485 1.00 10.12 H new ATOM 0 HG21 ILE A 86 12.932 7.211 -45.474 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.746 6.610 -46.938 1.00 11.21 H new ATOM 0 HG23 ILE A 86 13.604 8.361 -46.654 1.00 11.21 H new ATOM 0 HD11 ILE A 86 9.333 8.753 -45.206 1.00 63.41 H new ATOM 0 HD12 ILE A 86 9.346 7.136 -45.950 1.00 63.41 H new ATOM 0 HD13 ILE A 86 10.594 7.579 -44.761 1.00 63.41 H new ATOM 1302 N ASP A 87 12.420 5.481 -49.733 1.00 50.21 N ATOM 1303 CA ASP A 87 13.225 4.395 -50.280 1.00 61.54 C ATOM 1304 C ASP A 87 14.052 4.877 -51.468 1.00 73.01 C ATOM 1305 O ASP A 87 15.067 4.273 -51.813 1.00 74.03 O ATOM 1306 CB ASP A 87 12.328 3.231 -50.705 1.00 35.13 C ATOM 1307 CG ASP A 87 13.117 1.973 -51.009 1.00 41.55 C ATOM 1308 OD1 ASP A 87 13.515 1.275 -50.052 1.00 61.45 O ATOM 1309 OD2 ASP A 87 13.337 1.685 -52.204 1.00 51.34 O1- ATOM 0 H ASP A 87 11.419 5.286 -49.695 1.00 50.21 H new ATOM 0 HA ASP A 87 13.906 4.052 -49.501 1.00 61.54 H new ATOM 0 HB2 ASP A 87 11.609 3.023 -49.913 1.00 35.13 H new ATOM 0 HB3 ASP A 87 11.756 3.520 -51.587 1.00 35.13 H new ATOM 1314 N GLN A 88 13.609 5.965 -52.089 1.00 32.35 N ATOM 1315 CA GLN A 88 14.308 6.526 -53.239 1.00 71.22 C ATOM 1316 C GLN A 88 15.569 7.264 -52.802 1.00 44.01 C ATOM 1317 O GLN A 88 16.546 7.336 -53.547 1.00 30.30 O ATOM 1318 CB GLN A 88 13.388 7.474 -54.009 1.00 71.55 C ATOM 1319 CG GLN A 88 13.542 8.932 -53.607 1.00 72.24 C ATOM 1320 CD GLN A 88 12.436 9.810 -54.158 1.00 74.11 C ATOM 1321 OE1 GLN A 88 12.697 10.844 -54.772 1.00 14.12 O ATOM 1322 NE2 GLN A 88 11.192 9.402 -53.940 1.00 31.43 N ATOM 0 H GLN A 88 12.769 6.476 -51.815 1.00 32.35 H new ATOM 0 HA GLN A 88 14.599 5.704 -53.893 1.00 71.22 H new ATOM 0 HB2 GLN A 88 13.590 7.377 -55.076 1.00 71.55 H new ATOM 0 HB3 GLN A 88 12.353 7.170 -53.852 1.00 71.55 H new ATOM 0 HG2 GLN A 88 13.551 9.006 -52.520 1.00 72.24 H new ATOM 0 HG3 GLN A 88 14.504 9.302 -53.960 1.00 72.24 H new ATOM 0 HE21 GLN A 88 11.021 8.538 -53.426 1.00 31.43 H new ATOM 0 HE22 GLN A 88 10.407 9.953 -54.287 1.00 31.43 H new ATOM 1331 N ALA A 89 15.539 7.812 -51.592 1.00 43.05 N ATOM 1332 CA ALA A 89 16.680 8.545 -51.057 1.00 33.15 C ATOM 1333 C ALA A 89 17.784 7.591 -50.612 1.00 24.14 C ATOM 1334 O ALA A 89 17.531 6.623 -49.895 1.00 71.13 O ATOM 1335 CB ALA A 89 16.244 9.427 -49.897 1.00 12.20 C ATOM 0 H ALA A 89 14.737 7.762 -50.964 1.00 43.05 H new ATOM 0 HA ALA A 89 17.079 9.178 -51.850 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.106 9.968 -49.507 1.00 12.20 H new ATOM 0 HB2 ALA A 89 15.495 10.139 -50.243 1.00 12.20 H new ATOM 0 HB3 ALA A 89 15.818 8.807 -49.108 1.00 12.20 H new ATOM 1341 N PHE A 90 19.010 7.870 -51.042 1.00 74.20 N ATOM 1342 CA PHE A 90 20.153 7.036 -50.689 1.00 75.52 C ATOM 1343 C PHE A 90 20.264 6.878 -49.176 1.00 71.45 C ATOM 1344 O PHE A 90 20.227 7.858 -48.434 1.00 12.24 O ATOM 1345 CB PHE A 90 21.443 7.641 -51.247 1.00 64.23 C ATOM 1346 CG PHE A 90 21.767 8.992 -50.678 1.00 13.13 C ATOM 1347 CD1 PHE A 90 22.637 9.118 -49.607 1.00 30.42 C ATOM 1348 CD2 PHE A 90 21.200 10.138 -51.215 1.00 65.35 C ATOM 1349 CE1 PHE A 90 22.937 10.361 -49.081 1.00 45.43 C ATOM 1350 CE2 PHE A 90 21.497 11.383 -50.694 1.00 31.34 C ATOM 1351 CZ PHE A 90 22.365 11.495 -49.625 1.00 1.02 C ATOM 0 H PHE A 90 19.238 8.668 -51.636 1.00 74.20 H new ATOM 0 HA PHE A 90 20.002 6.050 -51.129 1.00 75.52 H new ATOM 0 HB2 PHE A 90 22.271 6.962 -51.043 1.00 64.23 H new ATOM 0 HB3 PHE A 90 21.357 7.723 -52.331 1.00 64.23 H new ATOM 0 HD1 PHE A 90 23.086 8.235 -49.178 1.00 30.42 H new ATOM 0 HD2 PHE A 90 20.519 10.057 -52.049 1.00 65.35 H new ATOM 0 HE1 PHE A 90 23.617 10.445 -48.246 1.00 45.43 H new ATOM 0 HE2 PHE A 90 21.051 12.268 -51.122 1.00 31.34 H new ATOM 0 HZ PHE A 90 22.596 12.467 -49.215 1.00 1.02 H new ATOM 1361 N GLY A 91 20.400 5.635 -48.725 1.00 12.51 N ATOM 1362 CA GLY A 91 20.514 5.369 -47.303 1.00 14.41 C ATOM 1363 C GLY A 91 19.401 6.015 -46.502 1.00 73.13 C ATOM 1364 O GLY A 91 19.633 6.531 -45.410 1.00 4.35 O ATOM 0 H GLY A 91 20.433 4.807 -49.319 1.00 12.51 H new ATOM 0 HA2 GLY A 91 20.500 4.292 -47.136 1.00 14.41 H new ATOM 0 HA3 GLY A 91 21.476 5.735 -46.944 1.00 14.41 H new ATOM 1368 N ALA A 92 18.190 5.987 -47.047 1.00 4.24 N ATOM 1369 CA ALA A 92 17.036 6.574 -46.375 1.00 70.22 C ATOM 1370 C ALA A 92 15.987 5.515 -46.057 1.00 24.25 C ATOM 1371 O ALA A 92 15.871 4.510 -46.760 1.00 13.15 O ATOM 1372 CB ALA A 92 16.431 7.677 -47.232 1.00 0.13 C ATOM 0 H ALA A 92 17.982 5.564 -47.952 1.00 4.24 H new ATOM 0 HA ALA A 92 17.376 7.005 -45.433 1.00 70.22 H new ATOM 0 HB1 ALA A 92 15.571 8.106 -46.718 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.176 8.454 -47.404 1.00 0.13 H new ATOM 0 HB3 ALA A 92 16.113 7.262 -48.188 1.00 0.13 H new ATOM 1378 N THR A 93 15.225 5.743 -44.992 1.00 45.11 N ATOM 1379 CA THR A 93 14.187 4.808 -44.580 1.00 43.04 C ATOM 1380 C THR A 93 13.157 5.488 -43.685 1.00 51.13 C ATOM 1381 O THR A 93 13.462 6.462 -43.000 1.00 12.44 O ATOM 1382 CB THR A 93 14.784 3.601 -43.830 1.00 14.42 C ATOM 1383 OG1 THR A 93 16.105 3.330 -44.312 1.00 31.50 O ATOM 1384 CG2 THR A 93 13.911 2.369 -44.007 1.00 75.11 C ATOM 0 H THR A 93 15.308 6.569 -44.399 1.00 45.11 H new ATOM 0 HA THR A 93 13.699 4.457 -45.489 1.00 43.04 H new ATOM 0 HB THR A 93 14.828 3.846 -42.769 1.00 14.42 H new ATOM 0 HG1 THR A 93 16.478 2.563 -43.830 1.00 31.50 H new ATOM 0 HG21 THR A 93 14.352 1.530 -43.469 1.00 75.11 H new ATOM 0 HG22 THR A 93 12.915 2.569 -43.613 1.00 75.11 H new ATOM 0 HG23 THR A 93 13.839 2.123 -45.066 1.00 75.11 H new ATOM 1392 N GLY A 94 11.934 4.965 -43.697 1.00 64.34 N ATOM 1393 CA GLY A 94 10.876 5.536 -42.882 1.00 73.52 C ATOM 1394 C GLY A 94 11.250 5.607 -41.414 1.00 11.42 C ATOM 1395 O GLY A 94 10.755 6.463 -40.680 1.00 75.13 O ATOM 0 H GLY A 94 11.657 4.158 -44.255 1.00 64.34 H new ATOM 0 HA2 GLY A 94 10.643 6.538 -43.243 1.00 73.52 H new ATOM 0 HA3 GLY A 94 9.972 4.938 -42.995 1.00 73.52 H new ATOM 1399 N THR A 95 12.127 4.705 -40.984 1.00 3.02 N ATOM 1400 CA THR A 95 12.565 4.668 -39.594 1.00 45.00 C ATOM 1401 C THR A 95 13.522 5.813 -39.288 1.00 1.41 C ATOM 1402 O THR A 95 13.982 5.966 -38.157 1.00 53.40 O ATOM 1403 CB THR A 95 13.257 3.333 -39.258 1.00 64.24 C ATOM 1404 OG1 THR A 95 14.550 3.283 -39.870 1.00 24.23 O ATOM 1405 CG2 THR A 95 12.420 2.155 -39.736 1.00 23.25 C ATOM 0 H THR A 95 12.548 3.991 -41.578 1.00 3.02 H new ATOM 0 HA THR A 95 11.671 4.771 -38.979 1.00 45.00 H new ATOM 0 HB THR A 95 13.365 3.268 -38.175 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.175 2.818 -39.276 1.00 24.23 H new ATOM 0 HG21 THR A 95 12.928 1.223 -39.488 1.00 23.25 H new ATOM 0 HG22 THR A 95 11.446 2.178 -39.247 1.00 23.25 H new ATOM 0 HG23 THR A 95 12.285 2.219 -40.816 1.00 23.25 H new ATOM 1413 N SER A 96 13.820 6.617 -40.304 1.00 4.44 N ATOM 1414 CA SER A 96 14.726 7.748 -40.144 1.00 60.11 C ATOM 1415 C SER A 96 13.968 8.992 -39.689 1.00 71.41 C ATOM 1416 O SER A 96 14.569 9.974 -39.253 1.00 10.54 O ATOM 1417 CB SER A 96 15.456 8.034 -41.458 1.00 33.34 C ATOM 1418 OG SER A 96 16.347 9.128 -41.318 1.00 54.01 O ATOM 0 H SER A 96 13.447 6.506 -41.247 1.00 4.44 H new ATOM 0 HA SER A 96 15.458 7.490 -39.379 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.009 7.148 -41.771 1.00 33.34 H new ATOM 0 HB3 SER A 96 14.730 8.250 -42.242 1.00 33.34 H new ATOM 0 HG SER A 96 16.036 9.713 -40.596 1.00 54.01 H new ATOM 1424 N ARG A 97 12.644 8.941 -39.792 1.00 14.14 N ATOM 1425 CA ARG A 97 11.803 10.063 -39.393 1.00 44.44 C ATOM 1426 C ARG A 97 10.521 9.570 -38.727 1.00 41.24 C ATOM 1427 O ARG A 97 9.843 8.680 -39.242 1.00 64.24 O ATOM 1428 CB ARG A 97 11.459 10.928 -40.608 1.00 70.20 C ATOM 1429 CG ARG A 97 10.797 10.157 -41.737 1.00 33.41 C ATOM 1430 CD ARG A 97 11.294 10.623 -43.097 1.00 21.13 C ATOM 1431 NE ARG A 97 10.206 11.110 -43.940 1.00 44.32 N ATOM 1432 CZ ARG A 97 10.394 11.852 -45.026 1.00 45.23 C ATOM 1433 NH1 ARG A 97 11.622 12.191 -45.397 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 9.353 12.258 -45.742 1.00 33.05 N ATOM 0 H ARG A 97 12.131 8.135 -40.148 1.00 14.14 H new ATOM 0 HA ARG A 97 12.359 10.664 -38.674 1.00 44.44 H new ATOM 0 HB2 ARG A 97 10.797 11.735 -40.293 1.00 70.20 H new ATOM 0 HB3 ARG A 97 12.371 11.392 -40.983 1.00 70.20 H new ATOM 0 HG2 ARG A 97 11.000 9.092 -41.620 1.00 33.41 H new ATOM 0 HG3 ARG A 97 9.716 10.284 -41.681 1.00 33.41 H new ATOM 0 HD2 ARG A 97 12.030 11.415 -42.962 1.00 21.13 H new ATOM 0 HD3 ARG A 97 11.801 9.799 -43.599 1.00 21.13 H new ATOM 0 HE ARG A 97 9.250 10.867 -43.681 1.00 44.32 H new ATOM 0 HH11 ARG A 97 12.424 11.882 -44.848 1.00 54.10 H new ATOM 0 HH12 ARG A 97 11.764 12.761 -46.231 1.00 54.10 H new ATOM 0 HH21 ARG A 97 8.408 12.000 -45.459 1.00 33.05 H new ATOM 0 HH22 ARG A 97 9.498 12.828 -46.576 1.00 33.05 H new ATOM 1448 N LEU A 98 10.194 10.155 -37.580 1.00 2.12 N ATOM 1449 CA LEU A 98 8.994 9.776 -36.843 1.00 73.45 C ATOM 1450 C LEU A 98 8.238 11.011 -36.363 1.00 21.34 C ATOM 1451 O LEU A 98 7.108 11.261 -36.781 1.00 13.34 O ATOM 1452 CB LEU A 98 9.362 8.894 -35.650 1.00 23.22 C ATOM 1453 CG LEU A 98 8.270 7.945 -35.154 1.00 64.21 C ATOM 1454 CD1 LEU A 98 8.822 6.998 -34.101 1.00 54.22 C ATOM 1455 CD2 LEU A 98 7.091 8.731 -34.601 1.00 44.21 C ATOM 0 H LEU A 98 10.743 10.894 -37.140 1.00 2.12 H new ATOM 0 HA LEU A 98 8.346 9.214 -37.516 1.00 73.45 H new ATOM 0 HB2 LEU A 98 10.236 8.301 -35.918 1.00 23.22 H new ATOM 0 HB3 LEU A 98 9.657 9.540 -34.823 1.00 23.22 H new ATOM 0 HG LEU A 98 7.921 7.351 -35.999 1.00 64.21 H new ATOM 0 HD11 LEU A 98 8.030 6.331 -33.761 1.00 54.22 H new ATOM 0 HD12 LEU A 98 9.633 6.409 -34.530 1.00 54.22 H new ATOM 0 HD13 LEU A 98 9.200 7.574 -33.256 1.00 54.22 H new ATOM 0 HD21 LEU A 98 6.324 8.039 -34.253 1.00 44.21 H new ATOM 0 HD22 LEU A 98 7.425 9.351 -33.769 1.00 44.21 H new ATOM 0 HD23 LEU A 98 6.678 9.367 -35.384 1.00 44.21 H new ATOM 1467 N GLY A 99 8.870 11.781 -35.482 1.00 65.55 N ATOM 1468 CA GLY A 99 8.243 12.982 -34.961 1.00 71.01 C ATOM 1469 C GLY A 99 8.972 13.541 -33.756 1.00 52.33 C ATOM 1470 O GLY A 99 10.016 13.022 -33.358 1.00 62.04 O ATOM 0 H GLY A 99 9.805 11.594 -35.120 1.00 65.55 H new ATOM 0 HA2 GLY A 99 8.209 13.739 -35.744 1.00 71.01 H new ATOM 0 HA3 GLY A 99 7.212 12.760 -34.687 1.00 71.01 H new ATOM 1474 N CYS A 100 8.425 14.602 -33.175 1.00 23.20 N ATOM 1475 CA CYS A 100 9.030 15.235 -32.009 1.00 42.23 C ATOM 1476 C CYS A 100 8.482 14.633 -30.718 1.00 61.43 C ATOM 1477 O CYS A 100 7.324 14.852 -30.363 1.00 22.54 O ATOM 1478 CB CYS A 100 8.775 16.742 -32.030 1.00 12.14 C ATOM 1479 SG CYS A 100 10.076 17.728 -31.220 1.00 33.11 S ATOM 0 H CYS A 100 7.562 15.043 -33.493 1.00 23.20 H new ATOM 0 HA CYS A 100 10.104 15.055 -32.046 1.00 42.23 H new ATOM 0 HB2 CYS A 100 8.678 17.069 -33.065 1.00 12.14 H new ATOM 0 HB3 CYS A 100 7.822 16.945 -31.541 1.00 12.14 H new ATOM 0 HG CYS A 100 11.165 17.674 -31.928 1.00 33.11 H new ATOM 1484 N GLN A 101 9.322 13.875 -30.021 1.00 51.23 N ATOM 1485 CA GLN A 101 8.921 13.242 -28.769 1.00 32.50 C ATOM 1486 C GLN A 101 10.140 12.775 -27.981 1.00 24.44 C ATOM 1487 O GLN A 101 11.059 12.173 -28.538 1.00 62.34 O ATOM 1488 CB GLN A 101 7.993 12.058 -29.047 1.00 54.33 C ATOM 1489 CG GLN A 101 6.517 12.418 -28.997 1.00 51.15 C ATOM 1490 CD GLN A 101 5.643 11.242 -28.606 1.00 64.22 C ATOM 1491 OE1 GLN A 101 6.116 10.110 -28.498 1.00 14.41 O ATOM 1492 NE2 GLN A 101 4.359 11.505 -28.392 1.00 64.44 N ATOM 0 H GLN A 101 10.284 13.684 -30.301 1.00 51.23 H new ATOM 0 HA GLN A 101 8.387 13.981 -28.171 1.00 32.50 H new ATOM 0 HB2 GLN A 101 8.225 11.648 -30.030 1.00 54.33 H new ATOM 0 HB3 GLN A 101 8.192 11.272 -28.318 1.00 54.33 H new ATOM 0 HG2 GLN A 101 6.369 13.229 -28.284 1.00 51.15 H new ATOM 0 HG3 GLN A 101 6.204 12.790 -29.973 1.00 51.15 H new ATOM 0 HE21 GLN A 101 4.010 12.458 -28.493 1.00 64.44 H new ATOM 0 HE22 GLN A 101 3.722 10.754 -28.127 1.00 64.44 H new ATOM 1501 N LEU A 102 10.142 13.055 -26.683 1.00 65.25 N ATOM 1502 CA LEU A 102 11.249 12.662 -25.817 1.00 63.32 C ATOM 1503 C LEU A 102 10.745 11.876 -24.612 1.00 43.03 C ATOM 1504 O LEU A 102 10.540 12.436 -23.534 1.00 43.45 O ATOM 1505 CB LEU A 102 12.018 13.899 -25.348 1.00 54.24 C ATOM 1506 CG LEU A 102 13.063 14.448 -26.321 1.00 12.13 C ATOM 1507 CD1 LEU A 102 14.117 13.395 -26.624 1.00 65.13 C ATOM 1508 CD2 LEU A 102 12.397 14.924 -27.604 1.00 5.14 C ATOM 0 H LEU A 102 9.390 13.553 -26.206 1.00 65.25 H new ATOM 0 HA LEU A 102 11.918 12.021 -26.391 1.00 63.32 H new ATOM 0 HB2 LEU A 102 11.299 14.690 -25.134 1.00 54.24 H new ATOM 0 HB3 LEU A 102 12.516 13.658 -24.409 1.00 54.24 H new ATOM 0 HG LEU A 102 13.556 15.300 -25.853 1.00 12.13 H new ATOM 0 HD11 LEU A 102 14.851 13.804 -27.318 1.00 65.13 H new ATOM 0 HD12 LEU A 102 14.615 13.102 -25.700 1.00 65.13 H new ATOM 0 HD13 LEU A 102 13.641 12.523 -27.072 1.00 65.13 H new ATOM 0 HD21 LEU A 102 13.155 15.312 -28.285 1.00 5.14 H new ATOM 0 HD22 LEU A 102 11.878 14.090 -28.076 1.00 5.14 H new ATOM 0 HD23 LEU A 102 11.681 15.712 -27.371 1.00 5.14 H new ATOM 1520 N ARG A 103 10.548 10.575 -24.800 1.00 52.25 N ATOM 1521 CA ARG A 103 10.069 9.711 -23.728 1.00 12.23 C ATOM 1522 C ARG A 103 10.558 8.279 -23.924 1.00 22.20 C ATOM 1523 O ARG A 103 10.704 7.810 -25.053 1.00 3.34 O ATOM 1524 CB ARG A 103 8.541 9.736 -23.668 1.00 33.05 C ATOM 1525 CG ARG A 103 7.977 9.315 -22.321 1.00 62.04 C ATOM 1526 CD ARG A 103 6.666 10.025 -22.020 1.00 70.21 C ATOM 1527 NE ARG A 103 5.510 9.251 -22.461 1.00 53.42 N ATOM 1528 CZ ARG A 103 4.261 9.525 -22.102 1.00 21.50 C ATOM 1529 NH1 ARG A 103 4.009 10.551 -21.301 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 3.261 8.775 -22.545 1.00 43.51 N ATOM 0 H ARG A 103 10.713 10.096 -25.685 1.00 52.25 H new ATOM 0 HA ARG A 103 10.469 10.087 -22.786 1.00 12.23 H new ATOM 0 HB2 ARG A 103 8.193 10.743 -23.899 1.00 33.05 H new ATOM 0 HB3 ARG A 103 8.145 9.077 -24.440 1.00 33.05 H new ATOM 0 HG2 ARG A 103 7.818 8.237 -22.313 1.00 62.04 H new ATOM 0 HG3 ARG A 103 8.701 9.537 -21.537 1.00 62.04 H new ATOM 0 HD2 ARG A 103 6.591 10.209 -20.948 1.00 70.21 H new ATOM 0 HD3 ARG A 103 6.660 10.998 -22.512 1.00 70.21 H new ATOM 0 HE ARG A 103 5.670 8.456 -23.079 1.00 53.42 H new ATOM 0 HH11 ARG A 103 4.775 11.131 -20.959 1.00 52.01 H new ATOM 0 HH12 ARG A 103 3.049 10.760 -21.026 1.00 52.01 H new ATOM 0 HH21 ARG A 103 3.450 7.986 -23.163 1.00 43.51 H new ATOM 0 HH22 ARG A 103 2.303 8.987 -22.268 1.00 43.51 H new ATOM 1544 N VAL A 104 10.812 7.589 -22.817 1.00 21.01 N ATOM 1545 CA VAL A 104 11.283 6.210 -22.866 1.00 23.15 C ATOM 1546 C VAL A 104 10.209 5.243 -22.381 1.00 51.50 C ATOM 1547 O VAL A 104 9.601 5.451 -21.330 1.00 20.41 O ATOM 1548 CB VAL A 104 12.552 6.020 -22.014 1.00 3.52 C ATOM 1549 CG1 VAL A 104 13.019 4.574 -22.066 1.00 0.25 C ATOM 1550 CG2 VAL A 104 13.652 6.962 -22.480 1.00 72.24 C ATOM 0 H VAL A 104 10.699 7.963 -21.875 1.00 21.01 H new ATOM 0 HA VAL A 104 11.518 5.993 -23.908 1.00 23.15 H new ATOM 0 HB VAL A 104 12.313 6.262 -20.978 1.00 3.52 H new ATOM 0 HG11 VAL A 104 13.917 4.459 -21.458 1.00 0.25 H new ATOM 0 HG12 VAL A 104 12.234 3.924 -21.680 1.00 0.25 H new ATOM 0 HG13 VAL A 104 13.242 4.301 -23.097 1.00 0.25 H new ATOM 0 HG21 VAL A 104 14.541 6.814 -21.867 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.891 6.754 -23.523 1.00 72.24 H new ATOM 0 HG23 VAL A 104 13.313 7.993 -22.384 1.00 72.24 H new ATOM 1560 N ASP A 105 9.980 4.187 -23.153 1.00 71.13 N ATOM 1561 CA ASP A 105 8.979 3.186 -22.801 1.00 40.04 C ATOM 1562 C ASP A 105 9.515 1.777 -23.035 1.00 72.04 C ATOM 1563 O ASP A 105 10.550 1.593 -23.675 1.00 10.30 O ATOM 1564 CB ASP A 105 7.703 3.403 -23.614 1.00 44.20 C ATOM 1565 CG ASP A 105 7.369 4.871 -23.788 1.00 65.14 C ATOM 1566 OD1 ASP A 105 7.841 5.475 -24.775 1.00 23.23 O ATOM 1567 OD2 ASP A 105 6.635 5.417 -22.938 1.00 33.31 O1- ATOM 0 H ASP A 105 10.473 4.002 -24.026 1.00 71.13 H new ATOM 0 HA ASP A 105 8.747 3.295 -21.742 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.818 2.941 -24.595 1.00 44.20 H new ATOM 0 HB3 ASP A 105 6.871 2.900 -23.120 1.00 44.20 H new ATOM 1572 N LYS A 106 8.801 0.784 -22.514 1.00 24.41 N ATOM 1573 CA LYS A 106 9.203 -0.609 -22.667 1.00 72.51 C ATOM 1574 C LYS A 106 9.301 -0.989 -24.141 1.00 64.01 C ATOM 1575 O LYS A 106 9.988 -1.945 -24.501 1.00 34.22 O ATOM 1576 CB LYS A 106 8.207 -1.529 -21.956 1.00 13.33 C ATOM 1577 CG LYS A 106 6.883 -1.671 -22.687 1.00 33.41 C ATOM 1578 CD LYS A 106 5.924 -2.577 -21.932 1.00 30.24 C ATOM 1579 CE LYS A 106 5.194 -1.820 -20.832 1.00 13.42 C ATOM 1580 NZ LYS A 106 4.176 -2.671 -20.157 1.00 24.12 N1+ ATOM 0 H LYS A 106 7.941 0.919 -21.982 1.00 24.41 H new ATOM 0 HA LYS A 106 10.187 -0.729 -22.214 1.00 72.51 H new ATOM 0 HB2 LYS A 106 8.656 -2.515 -21.839 1.00 13.33 H new ATOM 0 HB3 LYS A 106 8.020 -1.143 -20.954 1.00 13.33 H new ATOM 0 HG2 LYS A 106 6.430 -0.688 -22.817 1.00 33.41 H new ATOM 0 HG3 LYS A 106 7.058 -2.075 -23.684 1.00 33.41 H new ATOM 0 HD2 LYS A 106 5.199 -3.001 -22.627 1.00 30.24 H new ATOM 0 HD3 LYS A 106 6.475 -3.411 -21.498 1.00 30.24 H new ATOM 0 HE2 LYS A 106 5.915 -1.463 -20.096 1.00 13.42 H new ATOM 0 HE3 LYS A 106 4.709 -0.941 -21.256 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 3.700 -2.120 -19.414 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 3.474 -2.991 -20.854 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 4.642 -3.497 -19.730 1.00 24.12 H new ATOM 1594 N SER A 107 8.610 -0.235 -24.989 1.00 1.32 N ATOM 1595 CA SER A 107 8.617 -0.494 -26.424 1.00 32.25 C ATOM 1596 C SER A 107 10.019 -0.322 -27.000 1.00 64.51 C ATOM 1597 O SER A 107 10.381 -0.966 -27.984 1.00 35.32 O ATOM 1598 CB SER A 107 7.640 0.443 -27.138 1.00 25.21 C ATOM 1599 OG SER A 107 6.651 0.925 -26.245 1.00 60.12 O ATOM 0 H SER A 107 8.038 0.561 -24.707 1.00 1.32 H new ATOM 0 HA SER A 107 8.302 -1.525 -26.584 1.00 32.25 H new ATOM 0 HB2 SER A 107 8.186 1.283 -27.569 1.00 25.21 H new ATOM 0 HB3 SER A 107 7.163 -0.085 -27.964 1.00 25.21 H new ATOM 0 HG SER A 107 6.040 1.523 -26.725 1.00 60.12 H new ATOM 1605 N PHE A 108 10.803 0.553 -26.379 1.00 54.12 N ATOM 1606 CA PHE A 108 12.166 0.812 -26.830 1.00 31.34 C ATOM 1607 C PHE A 108 13.155 -0.114 -26.130 1.00 52.43 C ATOM 1608 O PHE A 108 14.369 0.037 -26.270 1.00 20.31 O ATOM 1609 CB PHE A 108 12.543 2.271 -26.567 1.00 33.33 C ATOM 1610 CG PHE A 108 11.599 3.257 -27.194 1.00 11.41 C ATOM 1611 CD1 PHE A 108 11.209 4.395 -26.506 1.00 41.10 C ATOM 1612 CD2 PHE A 108 11.100 3.046 -28.469 1.00 23.10 C ATOM 1613 CE1 PHE A 108 10.339 5.305 -27.079 1.00 64.01 C ATOM 1614 CE2 PHE A 108 10.231 3.951 -29.047 1.00 0.32 C ATOM 1615 CZ PHE A 108 9.849 5.081 -28.351 1.00 71.21 C ATOM 0 H PHE A 108 10.518 1.094 -25.563 1.00 54.12 H new ATOM 0 HA PHE A 108 12.211 0.619 -27.902 1.00 31.34 H new ATOM 0 HB2 PHE A 108 12.572 2.442 -25.491 1.00 33.33 H new ATOM 0 HB3 PHE A 108 13.549 2.452 -26.946 1.00 33.33 H new ATOM 0 HD1 PHE A 108 11.589 4.573 -25.511 1.00 41.10 H new ATOM 0 HD2 PHE A 108 11.394 2.163 -29.018 1.00 23.10 H new ATOM 0 HE1 PHE A 108 10.043 6.189 -26.533 1.00 64.01 H new ATOM 0 HE2 PHE A 108 9.851 3.775 -30.042 1.00 0.32 H new ATOM 0 HZ PHE A 108 9.168 5.789 -28.801 1.00 71.21 H new ATOM 1625 N GLU A 109 12.627 -1.074 -25.377 1.00 45.42 N ATOM 1626 CA GLU A 109 13.464 -2.025 -24.654 1.00 14.13 C ATOM 1627 C GLU A 109 14.385 -2.776 -25.611 1.00 53.04 C ATOM 1628 O GLU A 109 13.926 -3.415 -26.556 1.00 0.14 O ATOM 1629 CB GLU A 109 12.595 -3.018 -23.879 1.00 15.44 C ATOM 1630 CG GLU A 109 13.390 -3.952 -22.983 1.00 21.13 C ATOM 1631 CD GLU A 109 12.522 -4.658 -21.960 1.00 40.23 C ATOM 1632 OE1 GLU A 109 12.963 -5.696 -21.424 1.00 23.25 O ATOM 1633 OE2 GLU A 109 11.402 -4.174 -21.695 1.00 62.22 O1- ATOM 0 H GLU A 109 11.624 -1.214 -25.252 1.00 45.42 H new ATOM 0 HA GLU A 109 14.079 -1.466 -23.949 1.00 14.13 H new ATOM 0 HB2 GLU A 109 11.881 -2.464 -23.270 1.00 15.44 H new ATOM 0 HB3 GLU A 109 12.017 -3.612 -24.587 1.00 15.44 H new ATOM 0 HG2 GLU A 109 13.897 -4.695 -23.598 1.00 21.13 H new ATOM 0 HG3 GLU A 109 14.164 -3.383 -22.467 1.00 21.13 H new ATOM 1640 N ASN A 110 15.688 -2.693 -25.358 1.00 40.22 N ATOM 1641 CA ASN A 110 16.674 -3.363 -26.197 1.00 12.52 C ATOM 1642 C ASN A 110 16.584 -2.874 -27.639 1.00 14.11 C ATOM 1643 O ASN A 110 16.960 -3.584 -28.571 1.00 14.41 O ATOM 1644 CB ASN A 110 16.470 -4.878 -26.147 1.00 53.45 C ATOM 1645 CG ASN A 110 17.188 -5.520 -24.975 1.00 14.25 C ATOM 1646 OD1 ASN A 110 18.412 -5.443 -24.865 1.00 53.03 O ATOM 1647 ND2 ASN A 110 16.427 -6.157 -24.093 1.00 13.04 N ATOM 0 H ASN A 110 16.085 -2.168 -24.579 1.00 40.22 H new ATOM 0 HA ASN A 110 17.665 -3.123 -25.812 1.00 12.52 H new ATOM 0 HB2 ASN A 110 15.404 -5.096 -26.080 1.00 53.45 H new ATOM 0 HB3 ASN A 110 16.829 -5.321 -27.076 1.00 53.45 H new ATOM 0 HD21 ASN A 110 16.853 -6.608 -23.284 1.00 13.04 H new ATOM 0 HD22 ASN A 110 15.416 -6.195 -24.225 1.00 13.04 H new ATOM 1654 N ALA A 111 16.083 -1.655 -27.815 1.00 11.53 N ATOM 1655 CA ALA A 111 15.946 -1.070 -29.143 1.00 33.33 C ATOM 1656 C ALA A 111 17.234 -0.376 -29.572 1.00 12.12 C ATOM 1657 O ALA A 111 18.095 -0.076 -28.746 1.00 32.25 O ATOM 1658 CB ALA A 111 14.782 -0.090 -29.169 1.00 12.32 C ATOM 0 H ALA A 111 15.766 -1.054 -27.054 1.00 11.53 H new ATOM 0 HA ALA A 111 15.745 -1.875 -29.850 1.00 33.33 H new ATOM 0 HB1 ALA A 111 14.691 0.340 -30.166 1.00 12.32 H new ATOM 0 HB2 ALA A 111 13.860 -0.613 -28.913 1.00 12.32 H new ATOM 0 HB3 ALA A 111 14.960 0.706 -28.446 1.00 12.32 H new ATOM 1664 N VAL A 112 17.360 -0.125 -30.872 1.00 73.01 N ATOM 1665 CA VAL A 112 18.543 0.534 -31.412 1.00 70.21 C ATOM 1666 C VAL A 112 18.204 1.919 -31.951 1.00 23.10 C ATOM 1667 O VAL A 112 17.316 2.069 -32.790 1.00 15.11 O ATOM 1668 CB VAL A 112 19.186 -0.300 -32.536 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.554 0.257 -32.898 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.287 -1.761 -32.124 1.00 42.04 C ATOM 0 H VAL A 112 16.657 -0.368 -31.570 1.00 73.01 H new ATOM 0 HA VAL A 112 19.253 0.632 -30.591 1.00 70.21 H new ATOM 0 HB VAL A 112 18.551 -0.239 -33.419 1.00 32.45 H new ATOM 0 HG11 VAL A 112 20.993 -0.345 -33.694 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.449 1.287 -33.238 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.202 0.228 -32.022 1.00 55.14 H new ATOM 0 HG21 VAL A 112 19.744 -2.336 -32.930 1.00 42.04 H new ATOM 0 HG22 VAL A 112 19.900 -1.844 -31.227 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.290 -2.151 -31.920 1.00 42.04 H new ATOM 1680 N PHE A 113 18.916 2.929 -31.464 1.00 22.12 N ATOM 1681 CA PHE A 113 18.690 4.303 -31.897 1.00 61.43 C ATOM 1682 C PHE A 113 19.877 4.822 -32.703 1.00 43.11 C ATOM 1683 O PHE A 113 20.858 5.312 -32.142 1.00 11.30 O ATOM 1684 CB PHE A 113 18.447 5.208 -30.687 1.00 14.33 C ATOM 1685 CG PHE A 113 17.077 5.055 -30.090 1.00 71.43 C ATOM 1686 CD1 PHE A 113 16.685 3.854 -29.521 1.00 12.52 C ATOM 1687 CD2 PHE A 113 16.182 6.113 -30.098 1.00 14.45 C ATOM 1688 CE1 PHE A 113 15.425 3.710 -28.970 1.00 3.02 C ATOM 1689 CE2 PHE A 113 14.922 5.974 -29.548 1.00 40.02 C ATOM 1690 CZ PHE A 113 14.542 4.771 -28.984 1.00 54.32 C ATOM 0 H PHE A 113 19.655 2.822 -30.769 1.00 22.12 H new ATOM 0 HA PHE A 113 17.807 4.315 -32.535 1.00 61.43 H new ATOM 0 HB2 PHE A 113 19.194 4.989 -29.924 1.00 14.33 H new ATOM 0 HB3 PHE A 113 18.591 6.246 -30.985 1.00 14.33 H new ATOM 0 HD1 PHE A 113 17.372 3.021 -29.508 1.00 12.52 H new ATOM 0 HD2 PHE A 113 16.472 7.055 -30.538 1.00 14.45 H new ATOM 0 HE1 PHE A 113 15.132 2.769 -28.529 1.00 3.02 H new ATOM 0 HE2 PHE A 113 14.234 6.806 -29.559 1.00 40.02 H new ATOM 0 HZ PHE A 113 13.557 4.661 -28.555 1.00 54.32 H new ATOM 1700 N THR A 114 19.782 4.709 -34.025 1.00 30.22 N ATOM 1701 CA THR A 114 20.847 5.164 -34.909 1.00 45.33 C ATOM 1702 C THR A 114 20.654 6.626 -35.296 1.00 52.03 C ATOM 1703 O THR A 114 19.567 7.031 -35.708 1.00 43.22 O ATOM 1704 CB THR A 114 20.917 4.311 -36.190 1.00 73.24 C ATOM 1705 OG1 THR A 114 21.265 2.961 -35.861 1.00 32.32 O ATOM 1706 CG2 THR A 114 21.936 4.880 -37.164 1.00 73.44 C ATOM 0 H THR A 114 18.978 4.306 -34.506 1.00 30.22 H new ATOM 0 HA THR A 114 21.782 5.057 -34.358 1.00 45.33 H new ATOM 0 HB THR A 114 19.936 4.327 -36.665 1.00 73.24 H new ATOM 0 HG1 THR A 114 21.002 2.367 -36.595 1.00 32.32 H new ATOM 0 HG21 THR A 114 21.968 4.261 -38.061 1.00 73.44 H new ATOM 0 HG22 THR A 114 21.652 5.897 -37.435 1.00 73.44 H new ATOM 0 HG23 THR A 114 22.920 4.891 -36.696 1.00 73.44 H new ATOM 1714 N VAL A 115 21.716 7.414 -35.162 1.00 21.22 N ATOM 1715 CA VAL A 115 21.663 8.832 -35.499 1.00 72.13 C ATOM 1716 C VAL A 115 22.363 9.107 -36.825 1.00 32.00 C ATOM 1717 O VAL A 115 23.471 8.636 -37.079 1.00 71.13 O ATOM 1718 CB VAL A 115 22.310 9.695 -34.400 1.00 34.51 C ATOM 1719 CG1 VAL A 115 22.223 11.170 -34.759 1.00 32.02 C ATOM 1720 CG2 VAL A 115 21.653 9.425 -33.055 1.00 0.35 C ATOM 0 H VAL A 115 22.623 7.095 -34.823 1.00 21.22 H new ATOM 0 HA VAL A 115 20.610 9.098 -35.585 1.00 72.13 H new ATOM 0 HB VAL A 115 23.364 9.426 -34.324 1.00 34.51 H new ATOM 0 HG11 VAL A 115 22.685 11.764 -33.971 1.00 32.02 H new ATOM 0 HG12 VAL A 115 22.744 11.347 -35.700 1.00 32.02 H new ATOM 0 HG13 VAL A 115 21.177 11.458 -34.864 1.00 32.02 H new ATOM 0 HG21 VAL A 115 22.123 10.043 -32.290 1.00 0.35 H new ATOM 0 HG22 VAL A 115 20.591 9.665 -33.114 1.00 0.35 H new ATOM 0 HG23 VAL A 115 21.774 8.373 -32.796 1.00 0.35 H new ATOM 1730 N PRO A 116 21.702 9.888 -37.692 1.00 23.44 N ATOM 1731 CA PRO A 116 22.242 10.245 -39.007 1.00 12.20 C ATOM 1732 C PRO A 116 23.431 11.195 -38.906 1.00 62.14 C ATOM 1733 O PRO A 116 24.417 11.049 -39.628 1.00 15.32 O ATOM 1734 CB PRO A 116 21.064 10.936 -39.699 1.00 2.12 C ATOM 1735 CG PRO A 116 20.227 11.464 -38.586 1.00 24.01 C ATOM 1736 CD PRO A 116 20.376 10.484 -37.455 1.00 65.44 C ATOM 0 HA PRO A 116 22.618 9.374 -39.543 1.00 12.20 H new ATOM 0 HB2 PRO A 116 21.405 11.739 -40.353 1.00 2.12 H new ATOM 0 HB3 PRO A 116 20.503 10.236 -40.319 1.00 2.12 H new ATOM 0 HG2 PRO A 116 20.558 12.459 -38.287 1.00 24.01 H new ATOM 0 HG3 PRO A 116 19.184 11.553 -38.890 1.00 24.01 H new ATOM 0 HD2 PRO A 116 20.326 10.979 -36.485 1.00 65.44 H new ATOM 0 HD3 PRO A 116 19.588 9.731 -37.470 1.00 65.44 H new ATOM 1744 N ARG A 117 23.332 12.168 -38.006 1.00 4.04 N ATOM 1745 CA ARG A 117 24.399 13.142 -37.812 1.00 23.33 C ATOM 1746 C ARG A 117 24.719 13.308 -36.330 1.00 72.14 C ATOM 1747 O ARG A 117 23.842 13.619 -35.525 1.00 53.20 O ATOM 1748 CB ARG A 117 24.002 14.492 -38.414 1.00 24.40 C ATOM 1749 CG ARG A 117 22.592 14.929 -38.052 1.00 3.30 C ATOM 1750 CD ARG A 117 22.329 16.365 -38.477 1.00 34.14 C ATOM 1751 NE ARG A 117 21.671 17.135 -37.425 1.00 31.52 N ATOM 1752 CZ ARG A 117 21.092 18.313 -37.629 1.00 33.23 C ATOM 1753 NH1 ARG A 117 21.089 18.854 -38.840 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 20.513 18.954 -36.621 1.00 55.12 N ATOM 0 H ARG A 117 22.523 12.303 -37.399 1.00 4.04 H new ATOM 0 HA ARG A 117 25.290 12.774 -38.320 1.00 23.33 H new ATOM 0 HB2 ARG A 117 24.707 15.252 -38.077 1.00 24.40 H new ATOM 0 HB3 ARG A 117 24.089 14.436 -39.499 1.00 24.40 H new ATOM 0 HG2 ARG A 117 21.870 14.268 -38.532 1.00 3.30 H new ATOM 0 HG3 ARG A 117 22.445 14.834 -36.976 1.00 3.30 H new ATOM 0 HD2 ARG A 117 23.272 16.844 -38.741 1.00 34.14 H new ATOM 0 HD3 ARG A 117 21.708 16.370 -39.373 1.00 34.14 H new ATOM 0 HE ARG A 117 21.655 16.747 -36.482 1.00 31.52 H new ATOM 0 HH11 ARG A 117 21.532 18.365 -39.618 1.00 32.32 H new ATOM 0 HH12 ARG A 117 20.644 19.759 -38.993 1.00 32.32 H new ATOM 0 HH21 ARG A 117 20.512 18.542 -35.688 1.00 55.12 H new ATOM 0 HH22 ARG A 117 20.069 19.858 -36.780 1.00 55.12 H new