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 63 CYS SG : rot 149:sc= 0.0872 USER MOD Set 1.2: A 100 CYS SG : rot -166:sc= 0.243 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -139:sc= 0.198 (180deg=-0.233) USER MOD Set 2.2: A 27 GLN : amide:sc= 0.295 K(o=0.49,f=-5.3!) USER MOD Single : A 17 GLN : amide:sc= -0.0379 X(o=-0.038,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= -0.0374 (180deg=-0.206) USER MOD Single : A 24 THR OG1 : rot -73:sc= 1.9 USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 39:sc= -0.0153 USER MOD Single : A 37 SER OG : rot 76:sc= -0.0885 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.761 USER MOD Single : A 44 HIS : no HE2:sc= 0.00803 X(o=0.008,f=-0.094) USER MOD Single : A 45 LYS NZ :NH3+ -115:sc= -0.239 (180deg=-1.74!) USER MOD Single : A 46 ASN : amide:sc= -1.32 K(o=-1.3,f=-1.9) USER MOD Single : A 64 HIS : no HD1:sc= -0.789 K(o=-0.79,f=-2.5) USER MOD Single : A 72 TYR OH : rot -140:sc= 0.428 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.0337 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= -0.283 X(o=-0.28,f=-0.051) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -20:sc= 0.165 USER MOD Single : A 101 GLN : amide:sc= -0.833 X(o=-0.83,f=-0.77) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0.0366 USER MOD Single : A 110 ASN : amide:sc= -0.0149 X(o=-0.015,f=-0.18) USER MOD Single : A 114 THR OG1 : rot -169:sc= -1.26 USER MOD ----------------------------------------------------------------- ATOM 153 N ARG A 13 1.040 3.797 -15.792 1.00 62.40 N ATOM 154 CA ARG A 13 1.864 2.786 -15.140 1.00 13.43 C ATOM 155 C ARG A 13 2.939 2.266 -16.090 1.00 51.13 C ATOM 156 O ARG A 13 2.634 1.749 -17.165 1.00 65.25 O ATOM 157 CB ARG A 13 0.995 1.626 -14.652 1.00 71.33 C ATOM 158 CG ARG A 13 0.190 1.952 -13.405 1.00 64.41 C ATOM 159 CD ARG A 13 0.021 0.730 -12.515 1.00 64.44 C ATOM 160 NE ARG A 13 -0.249 1.096 -11.127 1.00 53.53 N ATOM 161 CZ ARG A 13 -1.399 1.613 -10.714 1.00 72.45 C ATOM 162 NH1 ARG A 13 -2.383 1.825 -11.577 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 -1.569 1.921 -9.434 1.00 74.21 N ATOM 0 HA ARG A 13 2.353 3.249 -14.283 1.00 13.43 H new ATOM 0 HB2 ARG A 13 0.312 1.334 -15.450 1.00 71.33 H new ATOM 0 HB3 ARG A 13 1.633 0.766 -14.448 1.00 71.33 H new ATOM 0 HG2 ARG A 13 0.688 2.744 -12.846 1.00 64.41 H new ATOM 0 HG3 ARG A 13 -0.790 2.332 -13.693 1.00 64.41 H new ATOM 0 HD2 ARG A 13 -0.796 0.116 -12.894 1.00 64.44 H new ATOM 0 HD3 ARG A 13 0.924 0.121 -12.560 1.00 64.44 H new ATOM 0 HE ARG A 13 0.487 0.946 -10.437 1.00 53.53 H new ATOM 0 HH11 ARG A 13 -2.257 1.590 -12.562 1.00 1.02 H new ATOM 0 HH12 ARG A 13 -3.266 2.223 -11.256 1.00 1.02 H new ATOM 0 HH21 ARG A 13 -0.815 1.760 -8.766 1.00 74.21 H new ATOM 0 HH22 ARG A 13 -2.454 2.318 -9.118 1.00 74.21 H new ATOM 177 N ILE A 14 4.197 2.404 -15.685 1.00 31.23 N ATOM 178 CA ILE A 14 5.316 1.948 -16.498 1.00 21.45 C ATOM 179 C ILE A 14 5.812 0.582 -16.036 1.00 33.43 C ATOM 180 O ILE A 14 6.012 0.337 -14.846 1.00 4.22 O ATOM 181 CB ILE A 14 6.487 2.947 -16.458 1.00 63.41 C ATOM 182 CG1 ILE A 14 6.019 4.333 -16.907 1.00 40.21 C ATOM 183 CG2 ILE A 14 7.631 2.459 -17.334 1.00 71.10 C ATOM 184 CD1 ILE A 14 6.993 5.440 -16.564 1.00 72.40 C ATOM 0 H ILE A 14 4.466 2.829 -14.798 1.00 31.23 H new ATOM 0 HA ILE A 14 4.950 1.872 -17.522 1.00 21.45 H new ATOM 0 HB ILE A 14 6.847 3.020 -15.432 1.00 63.41 H new ATOM 0 HG12 ILE A 14 5.859 4.322 -17.985 1.00 40.21 H new ATOM 0 HG13 ILE A 14 5.056 4.550 -16.444 1.00 40.21 H new ATOM 0 HG21 ILE A 14 8.451 3.176 -17.295 1.00 71.10 H new ATOM 0 HG22 ILE A 14 7.978 1.491 -16.973 1.00 71.10 H new ATOM 0 HG23 ILE A 14 7.285 2.360 -18.363 1.00 71.10 H new ATOM 0 HD11 ILE A 14 6.597 6.394 -16.912 1.00 72.40 H new ATOM 0 HD12 ILE A 14 7.135 5.478 -15.484 1.00 72.40 H new ATOM 0 HD13 ILE A 14 7.950 5.246 -17.049 1.00 72.40 H new ATOM 196 N PRO A 15 6.016 -0.331 -16.997 1.00 52.44 N ATOM 197 CA PRO A 15 6.493 -1.687 -16.712 1.00 71.33 C ATOM 198 C PRO A 15 7.947 -1.705 -16.250 1.00 44.54 C ATOM 199 O PRO A 15 8.557 -0.656 -16.051 1.00 21.35 O ATOM 200 CB PRO A 15 6.352 -2.403 -18.058 1.00 32.33 C ATOM 201 CG PRO A 15 6.426 -1.317 -19.074 1.00 35.51 C ATOM 202 CD PRO A 15 5.798 -0.109 -18.436 1.00 52.11 C ATOM 0 HA PRO A 15 5.931 -2.155 -15.903 1.00 71.33 H new ATOM 0 HB2 PRO A 15 7.147 -3.135 -18.202 1.00 32.33 H new ATOM 0 HB3 PRO A 15 5.407 -2.942 -18.123 1.00 32.33 H new ATOM 0 HG2 PRO A 15 7.460 -1.116 -19.356 1.00 35.51 H new ATOM 0 HG3 PRO A 15 5.896 -1.597 -19.984 1.00 35.51 H new ATOM 0 HD2 PRO A 15 6.267 0.814 -18.776 1.00 52.11 H new ATOM 0 HD3 PRO A 15 4.737 -0.034 -18.675 1.00 52.11 H new ATOM 210 N GLU A 16 8.494 -2.905 -16.081 1.00 24.10 N ATOM 211 CA GLU A 16 9.876 -3.057 -15.641 1.00 63.23 C ATOM 212 C GLU A 16 10.822 -2.257 -16.531 1.00 23.52 C ATOM 213 O GLU A 16 10.501 -1.954 -17.681 1.00 3.13 O ATOM 214 CB GLU A 16 10.277 -4.534 -15.651 1.00 12.45 C ATOM 215 CG GLU A 16 9.538 -5.373 -14.622 1.00 54.23 C ATOM 216 CD GLU A 16 9.915 -6.840 -14.686 1.00 62.22 C ATOM 217 OE1 GLU A 16 10.895 -7.170 -15.385 1.00 73.31 O ATOM 218 OE2 GLU A 16 9.230 -7.658 -14.036 1.00 11.13 O1- ATOM 0 H GLU A 16 8.002 -3.784 -16.242 1.00 24.10 H new ATOM 0 HA GLU A 16 9.951 -2.673 -14.624 1.00 63.23 H new ATOM 0 HB2 GLU A 16 10.092 -4.945 -16.643 1.00 12.45 H new ATOM 0 HB3 GLU A 16 11.349 -4.612 -15.469 1.00 12.45 H new ATOM 0 HG2 GLU A 16 9.753 -4.990 -13.624 1.00 54.23 H new ATOM 0 HG3 GLU A 16 8.464 -5.271 -14.779 1.00 54.23 H new ATOM 225 N GLN A 17 11.988 -1.917 -15.991 1.00 15.32 N ATOM 226 CA GLN A 17 12.980 -1.149 -16.736 1.00 43.30 C ATOM 227 C GLN A 17 13.663 -2.019 -17.786 1.00 14.04 C ATOM 228 O GLN A 17 13.725 -3.241 -17.649 1.00 32.12 O ATOM 229 CB GLN A 17 14.023 -0.565 -15.782 1.00 2.54 C ATOM 230 CG GLN A 17 14.662 -1.600 -14.870 1.00 15.05 C ATOM 231 CD GLN A 17 16.151 -1.747 -15.105 1.00 5.52 C ATOM 232 OE1 GLN A 17 16.637 -2.831 -15.427 1.00 25.01 O ATOM 233 NE2 GLN A 17 16.887 -0.653 -14.945 1.00 30.14 N ATOM 0 H GLN A 17 12.269 -2.161 -15.041 1.00 15.32 H new ATOM 0 HA GLN A 17 12.467 -0.333 -17.245 1.00 43.30 H new ATOM 0 HB2 GLN A 17 14.803 -0.076 -16.365 1.00 2.54 H new ATOM 0 HB3 GLN A 17 13.553 0.205 -15.170 1.00 2.54 H new ATOM 0 HG2 GLN A 17 14.488 -1.319 -13.831 1.00 15.05 H new ATOM 0 HG3 GLN A 17 14.177 -2.564 -15.025 1.00 15.05 H new ATOM 0 HE21 GLN A 17 16.443 0.226 -14.677 1.00 30.14 H new ATOM 0 HE22 GLN A 17 17.896 -0.691 -15.090 1.00 30.14 H new ATOM 242 N ILE A 18 14.175 -1.380 -18.833 1.00 24.21 N ATOM 243 CA ILE A 18 14.855 -2.095 -19.906 1.00 45.03 C ATOM 244 C ILE A 18 16.177 -1.424 -20.261 1.00 53.13 C ATOM 245 O ILE A 18 16.522 -0.378 -19.711 1.00 34.14 O ATOM 246 CB ILE A 18 13.979 -2.180 -21.169 1.00 12.34 C ATOM 247 CG1 ILE A 18 13.404 -0.803 -21.510 1.00 64.44 C ATOM 248 CG2 ILE A 18 12.860 -3.192 -20.972 1.00 30.13 C ATOM 249 CD1 ILE A 18 13.553 -0.432 -22.969 1.00 51.52 C ATOM 0 H ILE A 18 14.132 -0.369 -18.961 1.00 24.21 H new ATOM 0 HA ILE A 18 15.049 -3.103 -19.541 1.00 45.03 H new ATOM 0 HB ILE A 18 14.600 -2.512 -22.001 1.00 12.34 H new ATOM 0 HG12 ILE A 18 12.347 -0.783 -21.244 1.00 64.44 H new ATOM 0 HG13 ILE A 18 13.900 -0.049 -20.899 1.00 64.44 H new ATOM 0 HG21 ILE A 18 12.250 -3.240 -21.874 1.00 30.13 H new ATOM 0 HG22 ILE A 18 13.289 -4.174 -20.771 1.00 30.13 H new ATOM 0 HG23 ILE A 18 12.239 -2.888 -20.130 1.00 30.13 H new ATOM 0 HD11 ILE A 18 13.124 0.556 -23.139 1.00 51.52 H new ATOM 0 HD12 ILE A 18 14.610 -0.419 -23.235 1.00 51.52 H new ATOM 0 HD13 ILE A 18 13.032 -1.165 -23.586 1.00 51.52 H new ATOM 261 N ARG A 19 16.913 -2.033 -21.186 1.00 71.23 N ATOM 262 CA ARG A 19 18.197 -1.495 -21.616 1.00 75.34 C ATOM 263 C ARG A 19 18.208 -1.252 -23.123 1.00 62.41 C ATOM 264 O ARG A 19 17.703 -2.066 -23.896 1.00 51.13 O ATOM 265 CB ARG A 19 19.329 -2.451 -21.236 1.00 70.32 C ATOM 266 CG ARG A 19 20.706 -1.965 -21.659 1.00 12.13 C ATOM 267 CD ARG A 19 21.742 -3.075 -21.564 1.00 72.31 C ATOM 268 NE ARG A 19 22.012 -3.453 -20.179 1.00 22.42 N ATOM 269 CZ ARG A 19 22.801 -4.465 -19.834 1.00 11.21 C ATOM 270 NH1 ARG A 19 23.394 -5.194 -20.769 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 22.998 -4.747 -18.554 1.00 23.13 N ATOM 0 H ARG A 19 16.641 -2.899 -21.651 1.00 71.23 H new ATOM 0 HA ARG A 19 18.350 -0.542 -21.110 1.00 75.34 H new ATOM 0 HB2 ARG A 19 19.321 -2.598 -20.156 1.00 70.32 H new ATOM 0 HB3 ARG A 19 19.140 -3.423 -21.692 1.00 70.32 H new ATOM 0 HG2 ARG A 19 20.663 -1.592 -22.682 1.00 12.13 H new ATOM 0 HG3 ARG A 19 21.008 -1.129 -21.028 1.00 12.13 H new ATOM 0 HD2 ARG A 19 21.391 -3.947 -22.116 1.00 72.31 H new ATOM 0 HD3 ARG A 19 22.668 -2.749 -22.038 1.00 72.31 H new ATOM 0 HE ARG A 19 21.571 -2.911 -19.436 1.00 22.42 H new ATOM 0 HH11 ARG A 19 23.245 -4.978 -21.755 1.00 43.31 H new ATOM 0 HH12 ARG A 19 23.999 -5.971 -20.503 1.00 43.31 H new ATOM 0 HH21 ARG A 19 22.544 -4.187 -17.833 1.00 23.13 H new ATOM 0 HH22 ARG A 19 23.604 -5.524 -18.290 1.00 23.13 H new ATOM 285 N ILE A 20 18.786 -0.127 -23.532 1.00 35.55 N ATOM 286 CA ILE A 20 18.862 0.222 -24.944 1.00 64.45 C ATOM 287 C ILE A 20 20.311 0.389 -25.392 1.00 32.03 C ATOM 288 O ILE A 20 21.230 0.367 -24.575 1.00 53.21 O ATOM 289 CB ILE A 20 18.091 1.521 -25.246 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.472 2.611 -24.243 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.591 1.266 -25.215 1.00 21.23 C ATOM 292 CD1 ILE A 20 18.730 3.958 -24.882 1.00 21.13 C ATOM 0 H ILE A 20 19.208 0.558 -22.905 1.00 35.55 H new ATOM 0 HA ILE A 20 18.405 -0.599 -25.496 1.00 64.45 H new ATOM 0 HB ILE A 20 18.361 1.863 -26.245 1.00 75.13 H new ATOM 0 HG12 ILE A 20 17.673 2.713 -23.509 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.364 2.298 -23.701 1.00 15.54 H new ATOM 0 HG21 ILE A 20 16.060 2.193 -25.430 1.00 21.23 H new ATOM 0 HG22 ILE A 20 16.334 0.518 -25.965 1.00 21.23 H new ATOM 0 HG23 ILE A 20 16.304 0.904 -24.228 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.995 4.682 -24.111 1.00 21.13 H new ATOM 0 HD12 ILE A 20 19.550 3.871 -25.595 1.00 21.13 H new ATOM 0 HD13 ILE A 20 17.832 4.293 -25.401 1.00 21.13 H new ATOM 304 N PHE A 21 20.506 0.557 -26.696 1.00 73.53 N ATOM 305 CA PHE A 21 21.842 0.728 -27.254 1.00 64.54 C ATOM 306 C PHE A 21 21.911 1.977 -28.127 1.00 32.43 C ATOM 307 O PHE A 21 21.039 2.212 -28.964 1.00 22.23 O ATOM 308 CB PHE A 21 22.239 -0.503 -28.071 1.00 22.21 C ATOM 309 CG PHE A 21 22.995 -1.530 -27.278 1.00 75.22 C ATOM 310 CD1 PHE A 21 24.346 -1.740 -27.503 1.00 21.22 C ATOM 311 CD2 PHE A 21 22.355 -2.286 -26.310 1.00 14.32 C ATOM 312 CE1 PHE A 21 25.046 -2.685 -26.775 1.00 63.25 C ATOM 313 CE2 PHE A 21 23.050 -3.232 -25.579 1.00 44.12 C ATOM 314 CZ PHE A 21 24.396 -3.433 -25.813 1.00 20.14 C ATOM 0 H PHE A 21 19.755 0.578 -27.386 1.00 73.53 H new ATOM 0 HA PHE A 21 22.542 0.846 -26.426 1.00 64.54 H new ATOM 0 HB2 PHE A 21 21.340 -0.962 -28.482 1.00 22.21 H new ATOM 0 HB3 PHE A 21 22.850 -0.187 -28.917 1.00 22.21 H new ATOM 0 HD1 PHE A 21 24.858 -1.159 -28.256 1.00 21.22 H new ATOM 0 HD2 PHE A 21 21.302 -2.135 -26.124 1.00 14.32 H new ATOM 0 HE1 PHE A 21 26.099 -2.838 -26.959 1.00 63.25 H new ATOM 0 HE2 PHE A 21 22.540 -3.814 -24.825 1.00 44.12 H new ATOM 0 HZ PHE A 21 24.939 -4.174 -25.245 1.00 20.14 H new ATOM 324 N PHE A 22 22.954 2.776 -27.927 1.00 34.14 N ATOM 325 CA PHE A 22 23.136 4.002 -28.694 1.00 71.33 C ATOM 326 C PHE A 22 24.225 3.825 -29.750 1.00 24.13 C ATOM 327 O PHE A 22 25.414 3.790 -29.432 1.00 42.03 O ATOM 328 CB PHE A 22 23.496 5.163 -27.765 1.00 34.11 C ATOM 329 CG PHE A 22 22.308 5.970 -27.327 1.00 21.32 C ATOM 330 CD1 PHE A 22 22.055 6.181 -25.981 1.00 55.45 C ATOM 331 CD2 PHE A 22 21.444 6.518 -28.260 1.00 11.41 C ATOM 332 CE1 PHE A 22 20.962 6.923 -25.574 1.00 43.04 C ATOM 333 CE2 PHE A 22 20.349 7.262 -27.860 1.00 34.04 C ATOM 334 CZ PHE A 22 20.108 7.464 -26.515 1.00 31.31 C ATOM 0 H PHE A 22 23.686 2.596 -27.240 1.00 34.14 H new ATOM 0 HA PHE A 22 22.196 4.228 -29.198 1.00 71.33 H new ATOM 0 HB2 PHE A 22 24.003 4.769 -26.884 1.00 34.11 H new ATOM 0 HB3 PHE A 22 24.203 5.819 -28.273 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.720 5.761 -25.241 1.00 55.45 H new ATOM 0 HD2 PHE A 22 21.627 6.363 -29.313 1.00 11.41 H new ATOM 0 HE1 PHE A 22 20.776 7.079 -24.522 1.00 43.04 H new ATOM 0 HE2 PHE A 22 19.683 7.684 -28.598 1.00 34.04 H new ATOM 0 HZ PHE A 22 19.253 8.044 -26.200 1.00 31.31 H new ATOM 344 N LYS A 23 23.808 3.714 -31.006 1.00 30.42 N ATOM 345 CA LYS A 23 24.745 3.543 -32.111 1.00 1.30 C ATOM 346 C LYS A 23 25.037 4.876 -32.790 1.00 12.33 C ATOM 347 O LYS A 23 24.158 5.731 -32.909 1.00 50.24 O ATOM 348 CB LYS A 23 24.185 2.549 -33.132 1.00 51.30 C ATOM 349 CG LYS A 23 25.146 2.236 -34.266 1.00 73.32 C ATOM 350 CD LYS A 23 24.612 1.130 -35.159 1.00 53.34 C ATOM 351 CE LYS A 23 25.415 -0.152 -34.998 1.00 11.44 C ATOM 352 NZ LYS A 23 26.807 -0.002 -35.506 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.827 3.739 -31.285 1.00 30.42 H new ATOM 0 HA LYS A 23 25.678 3.152 -31.705 1.00 1.30 H new ATOM 0 HB2 LYS A 23 23.926 1.622 -32.620 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.262 2.951 -33.550 1.00 51.30 H new ATOM 0 HG2 LYS A 23 25.315 3.135 -34.859 1.00 73.32 H new ATOM 0 HG3 LYS A 23 26.111 1.939 -33.855 1.00 73.32 H new ATOM 0 HD2 LYS A 23 23.566 0.939 -34.917 1.00 53.34 H new ATOM 0 HD3 LYS A 23 24.645 1.453 -36.200 1.00 53.34 H new ATOM 0 HE2 LYS A 23 25.441 -0.435 -33.946 1.00 11.44 H new ATOM 0 HE3 LYS A 23 24.918 -0.961 -35.533 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 27.210 -0.942 -35.697 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 26.798 0.556 -36.384 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 27.386 0.484 -34.792 1.00 75.34 H new ATOM 366 N THR A 24 26.278 5.049 -33.236 1.00 1.24 N ATOM 367 CA THR A 24 26.685 6.280 -33.904 1.00 41.43 C ATOM 368 C THR A 24 27.587 5.985 -35.097 1.00 55.05 C ATOM 369 O THR A 24 27.903 4.829 -35.377 1.00 23.40 O ATOM 370 CB THR A 24 27.424 7.225 -32.937 1.00 24.11 C ATOM 371 OG1 THR A 24 28.750 6.741 -32.697 1.00 65.51 O ATOM 372 CG2 THR A 24 26.676 7.345 -31.619 1.00 50.11 C ATOM 0 H THR A 24 27.018 4.353 -33.147 1.00 1.24 H new ATOM 0 HA THR A 24 25.774 6.768 -34.252 1.00 41.43 H new ATOM 0 HB THR A 24 27.476 8.212 -33.397 1.00 24.11 H new ATOM 0 HG1 THR A 24 28.710 5.950 -32.120 1.00 65.51 H new ATOM 0 HG21 THR A 24 27.217 8.017 -30.953 1.00 50.11 H new ATOM 0 HG22 THR A 24 25.678 7.742 -31.802 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.596 6.362 -31.155 1.00 50.11 H new ATOM 380 N MET A 25 27.997 7.037 -35.797 1.00 73.10 N ATOM 381 CA MET A 25 28.865 6.890 -36.960 1.00 52.45 C ATOM 382 C MET A 25 30.298 6.586 -36.534 1.00 2.30 C ATOM 383 O MET A 25 31.152 6.280 -37.367 1.00 33.11 O ATOM 384 CB MET A 25 28.832 8.161 -37.811 1.00 30.23 C ATOM 385 CG MET A 25 28.215 7.956 -39.186 1.00 63.33 C ATOM 386 SD MET A 25 26.510 7.376 -39.102 1.00 45.42 S ATOM 387 CE MET A 25 26.316 6.658 -40.732 1.00 4.22 C ATOM 0 H MET A 25 27.742 8.001 -35.580 1.00 73.10 H new ATOM 0 HA MET A 25 28.497 6.054 -37.554 1.00 52.45 H new ATOM 0 HB2 MET A 25 28.270 8.929 -37.280 1.00 30.23 H new ATOM 0 HB3 MET A 25 29.849 8.535 -37.930 1.00 30.23 H new ATOM 0 HG2 MET A 25 28.249 8.895 -39.739 1.00 63.33 H new ATOM 0 HG3 MET A 25 28.813 7.236 -39.745 1.00 63.33 H new ATOM 0 HE1 MET A 25 25.309 6.255 -40.834 1.00 4.22 H new ATOM 0 HE2 MET A 25 26.479 7.425 -41.489 1.00 4.22 H new ATOM 0 HE3 MET A 25 27.043 5.857 -40.865 1.00 4.22 H new ATOM 397 N LYS A 26 30.555 6.671 -35.233 1.00 24.12 N ATOM 398 CA LYS A 26 31.884 6.405 -34.696 1.00 45.31 C ATOM 399 C LYS A 26 31.920 5.061 -33.976 1.00 52.32 C ATOM 400 O LYS A 26 32.908 4.332 -34.053 1.00 42.42 O ATOM 401 CB LYS A 26 32.302 7.521 -33.737 1.00 13.34 C ATOM 402 CG LYS A 26 33.794 7.807 -33.750 1.00 61.12 C ATOM 403 CD LYS A 26 34.199 8.705 -32.593 1.00 13.14 C ATOM 404 CE LYS A 26 34.428 7.903 -31.320 1.00 42.23 C ATOM 405 NZ LYS A 26 35.659 7.070 -31.402 1.00 4.53 N1+ ATOM 0 H LYS A 26 29.859 6.922 -34.531 1.00 24.12 H new ATOM 0 HA LYS A 26 32.585 6.370 -35.530 1.00 45.31 H new ATOM 0 HB2 LYS A 26 31.764 8.432 -33.997 1.00 13.34 H new ATOM 0 HB3 LYS A 26 32.001 7.251 -32.725 1.00 13.34 H new ATOM 0 HG2 LYS A 26 34.346 6.869 -33.694 1.00 61.12 H new ATOM 0 HG3 LYS A 26 34.066 8.281 -34.693 1.00 61.12 H new ATOM 0 HD2 LYS A 26 35.109 9.246 -32.852 1.00 13.14 H new ATOM 0 HD3 LYS A 26 33.423 9.450 -32.420 1.00 13.14 H new ATOM 0 HE2 LYS A 26 34.506 8.583 -30.472 1.00 42.23 H new ATOM 0 HE3 LYS A 26 33.567 7.261 -31.136 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 35.475 6.137 -30.981 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 35.933 6.953 -32.398 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 36.430 7.538 -30.884 1.00 4.53 H new ATOM 419 N GLN A 27 30.835 4.740 -33.278 1.00 23.51 N ATOM 420 CA GLN A 27 30.744 3.483 -32.545 1.00 54.41 C ATOM 421 C GLN A 27 29.402 3.365 -31.829 1.00 32.12 C ATOM 422 O GLN A 27 28.592 4.291 -31.852 1.00 31.42 O ATOM 423 CB GLN A 27 31.886 3.373 -31.534 1.00 35.15 C ATOM 424 CG GLN A 27 32.103 4.639 -30.721 1.00 31.13 C ATOM 425 CD GLN A 27 33.171 4.476 -29.659 1.00 41.01 C ATOM 426 OE1 GLN A 27 34.177 5.186 -29.659 1.00 14.54 O ATOM 427 NE2 GLN A 27 32.959 3.536 -28.745 1.00 44.23 N ATOM 0 H GLN A 27 30.008 5.332 -33.205 1.00 23.51 H new ATOM 0 HA GLN A 27 30.825 2.667 -33.263 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.680 2.546 -30.855 1.00 35.15 H new ATOM 0 HB3 GLN A 27 32.807 3.129 -32.064 1.00 35.15 H new ATOM 0 HG2 GLN A 27 32.383 5.452 -31.390 1.00 31.13 H new ATOM 0 HG3 GLN A 27 31.165 4.926 -30.246 1.00 31.13 H new ATOM 0 HE21 GLN A 27 32.111 2.970 -28.783 1.00 44.23 H new ATOM 0 HE22 GLN A 27 33.644 3.380 -28.005 1.00 44.23 H new ATOM 436 N VAL A 28 29.173 2.219 -31.195 1.00 3.05 N ATOM 437 CA VAL A 28 27.930 1.982 -30.472 1.00 24.14 C ATOM 438 C VAL A 28 28.191 1.763 -28.986 1.00 72.01 C ATOM 439 O VAL A 28 29.011 0.927 -28.605 1.00 14.41 O ATOM 440 CB VAL A 28 27.178 0.761 -31.035 1.00 50.21 C ATOM 441 CG1 VAL A 28 28.061 -0.477 -30.991 1.00 4.54 C ATOM 442 CG2 VAL A 28 25.886 0.531 -30.267 1.00 44.43 C ATOM 0 H VAL A 28 29.832 1.441 -31.168 1.00 3.05 H new ATOM 0 HA VAL A 28 27.314 2.872 -30.602 1.00 24.14 H new ATOM 0 HB VAL A 28 26.925 0.961 -32.076 1.00 50.21 H new ATOM 0 HG11 VAL A 28 27.513 -1.329 -31.393 1.00 4.54 H new ATOM 0 HG12 VAL A 28 28.956 -0.307 -31.589 1.00 4.54 H new ATOM 0 HG13 VAL A 28 28.347 -0.683 -29.960 1.00 4.54 H new ATOM 0 HG21 VAL A 28 25.368 -0.335 -30.678 1.00 44.43 H new ATOM 0 HG22 VAL A 28 26.114 0.352 -29.216 1.00 44.43 H new ATOM 0 HG23 VAL A 28 25.249 1.411 -30.355 1.00 44.43 H new ATOM 452 N VAL A 29 27.489 2.519 -28.149 1.00 62.35 N ATOM 453 CA VAL A 29 27.644 2.408 -26.704 1.00 73.41 C ATOM 454 C VAL A 29 26.341 1.970 -26.044 1.00 41.43 C ATOM 455 O VAL A 29 25.245 2.247 -26.532 1.00 63.42 O ATOM 456 CB VAL A 29 28.097 3.743 -26.083 1.00 24.34 C ATOM 457 CG1 VAL A 29 29.604 3.908 -26.214 1.00 32.35 C ATOM 458 CG2 VAL A 29 27.367 4.908 -26.733 1.00 63.42 C ATOM 0 H VAL A 29 26.806 3.216 -28.447 1.00 62.35 H new ATOM 0 HA VAL A 29 28.411 1.654 -26.525 1.00 73.41 H new ATOM 0 HB VAL A 29 27.847 3.734 -25.022 1.00 24.34 H new ATOM 0 HG11 VAL A 29 29.906 4.857 -25.770 1.00 32.35 H new ATOM 0 HG12 VAL A 29 30.106 3.090 -25.698 1.00 32.35 H new ATOM 0 HG13 VAL A 29 29.881 3.896 -27.268 1.00 32.35 H new ATOM 0 HG21 VAL A 29 27.699 5.843 -26.282 1.00 63.42 H new ATOM 0 HG22 VAL A 29 27.584 4.923 -27.801 1.00 63.42 H new ATOM 0 HG23 VAL A 29 26.293 4.794 -26.583 1.00 63.42 H new ATOM 468 N PRO A 30 26.461 1.269 -24.906 1.00 73.00 N ATOM 469 CA PRO A 30 25.302 0.778 -24.154 1.00 3.14 C ATOM 470 C PRO A 30 24.521 1.907 -23.491 1.00 71.14 C ATOM 471 O PRO A 30 25.063 2.981 -23.231 1.00 11.03 O ATOM 472 CB PRO A 30 25.927 -0.133 -23.094 1.00 20.11 C ATOM 473 CG PRO A 30 27.313 0.386 -22.920 1.00 44.03 C ATOM 474 CD PRO A 30 27.735 0.902 -24.267 1.00 41.22 C ATOM 0 HA PRO A 30 24.582 0.274 -24.799 1.00 3.14 H new ATOM 0 HB2 PRO A 30 25.369 -0.093 -22.159 1.00 20.11 H new ATOM 0 HB3 PRO A 30 25.931 -1.174 -23.419 1.00 20.11 H new ATOM 0 HG2 PRO A 30 27.342 1.179 -22.172 1.00 44.03 H new ATOM 0 HG3 PRO A 30 27.984 -0.401 -22.576 1.00 44.03 H new ATOM 0 HD2 PRO A 30 28.402 1.760 -24.178 1.00 41.22 H new ATOM 0 HD3 PRO A 30 28.268 0.143 -24.839 1.00 41.22 H new ATOM 482 N ALA A 31 23.244 1.657 -23.220 1.00 53.34 N ATOM 483 CA ALA A 31 22.389 2.653 -22.585 1.00 43.44 C ATOM 484 C ALA A 31 21.369 1.993 -21.663 1.00 41.51 C ATOM 485 O ALA A 31 20.784 0.963 -22.003 1.00 52.01 O ATOM 486 CB ALA A 31 21.684 3.493 -23.640 1.00 11.05 C ATOM 0 H ALA A 31 22.779 0.774 -23.430 1.00 53.34 H new ATOM 0 HA ALA A 31 23.019 3.304 -21.979 1.00 43.44 H new ATOM 0 HB1 ALA A 31 21.049 4.232 -23.152 1.00 11.05 H new ATOM 0 HB2 ALA A 31 22.426 4.002 -24.256 1.00 11.05 H new ATOM 0 HB3 ALA A 31 21.071 2.848 -24.269 1.00 11.05 H new ATOM 492 N LYS A 32 21.159 2.591 -20.496 1.00 42.21 N ATOM 493 CA LYS A 32 20.209 2.062 -19.525 1.00 42.03 C ATOM 494 C LYS A 32 18.892 2.830 -19.578 1.00 53.43 C ATOM 495 O LYS A 32 18.878 4.060 -19.549 1.00 15.15 O ATOM 496 CB LYS A 32 20.796 2.134 -18.114 1.00 10.13 C ATOM 497 CG LYS A 32 21.078 3.551 -17.643 1.00 15.14 C ATOM 498 CD LYS A 32 22.028 3.567 -16.458 1.00 43.25 C ATOM 499 CE LYS A 32 21.273 3.526 -15.138 1.00 41.14 C ATOM 500 NZ LYS A 32 22.185 3.293 -13.984 1.00 23.12 N1+ ATOM 0 H LYS A 32 21.634 3.443 -20.199 1.00 42.21 H new ATOM 0 HA LYS A 32 20.013 1.020 -19.778 1.00 42.03 H new ATOM 0 HB2 LYS A 32 20.105 1.660 -17.417 1.00 10.13 H new ATOM 0 HB3 LYS A 32 21.722 1.560 -18.085 1.00 10.13 H new ATOM 0 HG2 LYS A 32 21.507 4.129 -18.462 1.00 15.14 H new ATOM 0 HG3 LYS A 32 20.142 4.036 -17.366 1.00 15.14 H new ATOM 0 HD2 LYS A 32 22.702 2.713 -16.519 1.00 43.25 H new ATOM 0 HD3 LYS A 32 22.646 4.464 -16.497 1.00 43.25 H new ATOM 0 HE2 LYS A 32 20.740 4.466 -14.995 1.00 41.14 H new ATOM 0 HE3 LYS A 32 20.523 2.736 -15.173 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 21.632 3.272 -13.103 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 22.675 2.384 -14.107 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 22.885 4.060 -13.935 1.00 23.12 H new ATOM 514 N ALA A 33 17.787 2.095 -19.655 1.00 74.42 N ATOM 515 CA ALA A 33 16.465 2.707 -19.708 1.00 62.44 C ATOM 516 C ALA A 33 15.687 2.446 -18.423 1.00 33.43 C ATOM 517 O ALA A 33 15.387 1.300 -18.089 1.00 52.11 O ATOM 518 CB ALA A 33 15.691 2.188 -20.911 1.00 44.12 C ATOM 0 H ALA A 33 17.781 1.075 -19.682 1.00 74.42 H new ATOM 0 HA ALA A 33 16.595 3.784 -19.810 1.00 62.44 H new ATOM 0 HB1 ALA A 33 14.706 2.653 -20.938 1.00 44.12 H new ATOM 0 HB2 ALA A 33 16.233 2.432 -21.825 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.579 1.107 -20.833 1.00 44.12 H new ATOM 524 N VAL A 34 15.363 3.517 -17.705 1.00 63.33 N ATOM 525 CA VAL A 34 14.619 3.404 -16.456 1.00 45.44 C ATOM 526 C VAL A 34 13.166 3.826 -16.642 1.00 54.42 C ATOM 527 O VAL A 34 12.874 4.784 -17.359 1.00 75.20 O ATOM 528 CB VAL A 34 15.253 4.260 -15.345 1.00 12.22 C ATOM 529 CG1 VAL A 34 14.452 4.144 -14.057 1.00 2.34 C ATOM 530 CG2 VAL A 34 16.701 3.854 -15.120 1.00 72.31 C ATOM 0 H VAL A 34 15.604 4.473 -17.967 1.00 63.33 H new ATOM 0 HA VAL A 34 14.655 2.355 -16.160 1.00 45.44 H new ATOM 0 HB VAL A 34 15.237 5.303 -15.661 1.00 12.22 H new ATOM 0 HG11 VAL A 34 14.916 4.756 -13.284 1.00 2.34 H new ATOM 0 HG12 VAL A 34 13.433 4.489 -14.230 1.00 2.34 H new ATOM 0 HG13 VAL A 34 14.433 3.103 -13.733 1.00 2.34 H new ATOM 0 HG21 VAL A 34 17.133 4.470 -14.331 1.00 72.31 H new ATOM 0 HG22 VAL A 34 16.743 2.805 -14.826 1.00 72.31 H new ATOM 0 HG23 VAL A 34 17.266 3.996 -16.041 1.00 72.31 H new ATOM 540 N CYS A 35 12.259 3.107 -15.991 1.00 52.54 N ATOM 541 CA CYS A 35 10.834 3.406 -16.084 1.00 31.55 C ATOM 542 C CYS A 35 10.567 4.878 -15.782 1.00 12.13 C ATOM 543 O CYS A 35 10.811 5.348 -14.672 1.00 51.25 O ATOM 544 CB CYS A 35 10.042 2.523 -15.120 1.00 11.41 C ATOM 545 SG CYS A 35 10.684 2.514 -13.430 1.00 13.12 S ATOM 0 H CYS A 35 12.485 2.312 -15.393 1.00 52.54 H new ATOM 0 HA CYS A 35 10.510 3.198 -17.104 1.00 31.55 H new ATOM 0 HB2 CYS A 35 9.006 2.862 -15.102 1.00 11.41 H new ATOM 0 HB3 CYS A 35 10.037 1.502 -15.501 1.00 11.41 H new ATOM 0 HG CYS A 35 11.084 3.709 -13.111 1.00 13.12 H new ATOM 551 N GLY A 36 10.066 5.600 -16.779 1.00 33.13 N ATOM 552 CA GLY A 36 9.776 7.011 -16.600 1.00 22.01 C ATOM 553 C GLY A 36 10.849 7.903 -17.192 1.00 2.31 C ATOM 554 O GLY A 36 10.826 9.119 -17.008 1.00 12.12 O ATOM 0 H GLY A 36 9.856 5.234 -17.707 1.00 33.13 H new ATOM 0 HA2 GLY A 36 8.818 7.244 -17.064 1.00 22.01 H new ATOM 0 HA3 GLY A 36 9.675 7.226 -15.536 1.00 22.01 H new ATOM 558 N SER A 37 11.794 7.297 -17.905 1.00 14.13 N ATOM 559 CA SER A 37 12.884 8.043 -18.522 1.00 31.10 C ATOM 560 C SER A 37 12.623 8.255 -20.009 1.00 73.20 C ATOM 561 O SER A 37 11.528 7.988 -20.505 1.00 73.03 O ATOM 562 CB SER A 37 14.210 7.307 -18.324 1.00 61.42 C ATOM 563 OG SER A 37 14.435 7.018 -16.955 1.00 54.42 O ATOM 0 H SER A 37 11.826 6.291 -18.069 1.00 14.13 H new ATOM 0 HA SER A 37 12.943 9.018 -18.039 1.00 31.10 H new ATOM 0 HB2 SER A 37 14.204 6.380 -18.898 1.00 61.42 H new ATOM 0 HB3 SER A 37 15.028 7.916 -18.709 1.00 61.42 H new ATOM 0 HG SER A 37 13.871 6.264 -16.683 1.00 54.42 H new ATOM 569 N THR A 38 13.639 8.740 -20.719 1.00 25.44 N ATOM 570 CA THR A 38 13.521 8.989 -22.149 1.00 13.34 C ATOM 571 C THR A 38 14.830 8.690 -22.869 1.00 44.22 C ATOM 572 O THR A 38 15.913 8.953 -22.347 1.00 73.14 O ATOM 573 CB THR A 38 13.115 10.448 -22.433 1.00 44.44 C ATOM 574 OG1 THR A 38 13.229 11.230 -21.239 1.00 11.42 O ATOM 575 CG2 THR A 38 11.689 10.519 -22.958 1.00 11.40 C ATOM 0 H THR A 38 14.552 8.968 -20.325 1.00 25.44 H new ATOM 0 HA THR A 38 12.743 8.323 -22.523 1.00 13.34 H new ATOM 0 HB THR A 38 13.786 10.848 -23.193 1.00 44.44 H new ATOM 0 HG1 THR A 38 12.971 12.156 -21.429 1.00 11.42 H new ATOM 0 HG21 THR A 38 11.424 11.558 -23.152 1.00 11.40 H new ATOM 0 HG22 THR A 38 11.613 9.947 -23.883 1.00 11.40 H new ATOM 0 HG23 THR A 38 11.007 10.103 -22.216 1.00 11.40 H new ATOM 583 N VAL A 39 14.726 8.136 -24.074 1.00 70.42 N ATOM 584 CA VAL A 39 15.903 7.802 -24.867 1.00 33.14 C ATOM 585 C VAL A 39 16.832 9.003 -25.003 1.00 42.12 C ATOM 586 O VAL A 39 17.971 8.976 -24.536 1.00 10.21 O ATOM 587 CB VAL A 39 15.510 7.308 -26.272 1.00 65.42 C ATOM 588 CG1 VAL A 39 16.751 6.988 -27.091 1.00 4.01 C ATOM 589 CG2 VAL A 39 14.597 6.095 -26.175 1.00 35.23 C ATOM 0 H VAL A 39 13.838 7.909 -24.522 1.00 70.42 H new ATOM 0 HA VAL A 39 16.424 7.002 -24.341 1.00 33.14 H new ATOM 0 HB VAL A 39 14.964 8.104 -26.779 1.00 65.42 H new ATOM 0 HG11 VAL A 39 16.454 6.640 -28.081 1.00 4.01 H new ATOM 0 HG12 VAL A 39 17.363 7.885 -27.190 1.00 4.01 H new ATOM 0 HG13 VAL A 39 17.326 6.209 -26.590 1.00 4.01 H new ATOM 0 HG21 VAL A 39 14.330 5.760 -27.177 1.00 35.23 H new ATOM 0 HG22 VAL A 39 15.114 5.292 -25.650 1.00 35.23 H new ATOM 0 HG23 VAL A 39 13.693 6.363 -25.629 1.00 35.23 H new ATOM 599 N LEU A 40 16.339 10.055 -25.647 1.00 4.40 N ATOM 600 CA LEU A 40 17.127 11.268 -25.845 1.00 4.13 C ATOM 601 C LEU A 40 17.674 11.784 -24.518 1.00 3.52 C ATOM 602 O LEU A 40 18.768 12.347 -24.464 1.00 65.40 O ATOM 603 CB LEU A 40 16.275 12.349 -26.513 1.00 11.34 C ATOM 604 CG LEU A 40 16.097 12.223 -28.026 1.00 34.30 C ATOM 605 CD1 LEU A 40 17.446 12.262 -28.727 1.00 31.55 C ATOM 606 CD2 LEU A 40 15.352 10.942 -28.372 1.00 22.30 C ATOM 0 H LEU A 40 15.399 10.093 -26.041 1.00 4.40 H new ATOM 0 HA LEU A 40 17.968 11.024 -26.494 1.00 4.13 H new ATOM 0 HB2 LEU A 40 15.288 12.344 -26.050 1.00 11.34 H new ATOM 0 HB3 LEU A 40 16.722 13.320 -26.299 1.00 11.34 H new ATOM 0 HG LEU A 40 15.504 13.069 -28.374 1.00 34.30 H new ATOM 0 HD11 LEU A 40 17.300 12.171 -29.803 1.00 31.55 H new ATOM 0 HD12 LEU A 40 17.943 13.207 -28.507 1.00 31.55 H new ATOM 0 HD13 LEU A 40 18.064 11.436 -28.374 1.00 31.55 H new ATOM 0 HD21 LEU A 40 15.235 10.870 -29.453 1.00 22.30 H new ATOM 0 HD22 LEU A 40 15.917 10.083 -28.010 1.00 22.30 H new ATOM 0 HD23 LEU A 40 14.369 10.954 -27.901 1.00 22.30 H new ATOM 618 N ASP A 41 16.909 11.586 -23.451 1.00 72.45 N ATOM 619 CA ASP A 41 17.319 12.029 -22.123 1.00 42.14 C ATOM 620 C ASP A 41 18.439 11.147 -21.578 1.00 25.23 C ATOM 621 O ASP A 41 19.251 11.588 -20.766 1.00 10.41 O ATOM 622 CB ASP A 41 16.127 12.011 -21.165 1.00 13.44 C ATOM 623 CG ASP A 41 16.283 12.998 -20.026 1.00 24.42 C ATOM 624 OD1 ASP A 41 16.020 14.200 -20.242 1.00 41.20 O ATOM 625 OD2 ASP A 41 16.671 12.571 -18.918 1.00 64.23 O1- ATOM 0 H ASP A 41 16.001 11.122 -23.479 1.00 72.45 H new ATOM 0 HA ASP A 41 17.692 13.050 -22.207 1.00 42.14 H new ATOM 0 HB2 ASP A 41 15.217 12.241 -21.719 1.00 13.44 H new ATOM 0 HB3 ASP A 41 16.007 11.007 -20.758 1.00 13.44 H new ATOM 630 N VAL A 42 18.474 9.897 -22.030 1.00 2.11 N ATOM 631 CA VAL A 42 19.494 8.953 -21.589 1.00 13.25 C ATOM 632 C VAL A 42 20.828 9.225 -22.274 1.00 11.24 C ATOM 633 O VAL A 42 21.882 9.196 -21.638 1.00 54.34 O ATOM 634 CB VAL A 42 19.070 7.499 -21.869 1.00 43.20 C ATOM 635 CG1 VAL A 42 20.192 6.537 -21.504 1.00 3.53 C ATOM 636 CG2 VAL A 42 17.797 7.159 -21.110 1.00 61.21 C ATOM 0 H VAL A 42 17.808 9.515 -22.701 1.00 2.11 H new ATOM 0 HA VAL A 42 19.609 9.089 -20.514 1.00 13.25 H new ATOM 0 HB VAL A 42 18.867 7.397 -22.935 1.00 43.20 H new ATOM 0 HG11 VAL A 42 19.875 5.514 -21.708 1.00 3.53 H new ATOM 0 HG12 VAL A 42 21.077 6.768 -22.097 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.429 6.639 -20.445 1.00 3.53 H new ATOM 0 HG21 VAL A 42 17.513 6.128 -21.320 1.00 61.21 H new ATOM 0 HG22 VAL A 42 17.969 7.277 -20.040 1.00 61.21 H new ATOM 0 HG23 VAL A 42 16.996 7.828 -21.425 1.00 61.21 H new ATOM 646 N ALA A 43 20.775 9.489 -23.576 1.00 21.42 N ATOM 647 CA ALA A 43 21.980 9.767 -24.348 1.00 20.42 C ATOM 648 C ALA A 43 22.823 10.847 -23.678 1.00 42.52 C ATOM 649 O ALA A 43 24.048 10.858 -23.802 1.00 14.32 O ATOM 650 CB ALA A 43 21.613 10.184 -25.765 1.00 62.22 C ATOM 0 H ALA A 43 19.911 9.516 -24.118 1.00 21.42 H new ATOM 0 HA ALA A 43 22.574 8.854 -24.392 1.00 20.42 H new ATOM 0 HB1 ALA A 43 22.522 10.389 -26.331 1.00 62.22 H new ATOM 0 HB2 ALA A 43 21.058 9.380 -26.249 1.00 62.22 H new ATOM 0 HB3 ALA A 43 20.996 11.082 -25.732 1.00 62.22 H new ATOM 656 N HIS A 44 22.159 11.754 -22.968 1.00 12.51 N ATOM 657 CA HIS A 44 22.849 12.839 -22.278 1.00 50.24 C ATOM 658 C HIS A 44 23.578 12.320 -21.042 1.00 54.31 C ATOM 659 O HIS A 44 24.680 12.769 -20.723 1.00 12.45 O ATOM 660 CB HIS A 44 21.856 13.931 -21.879 1.00 75.20 C ATOM 661 CG HIS A 44 21.666 14.981 -22.930 1.00 61.53 C ATOM 662 ND1 HIS A 44 20.990 14.750 -24.110 1.00 44.12 N ATOM 663 CD2 HIS A 44 22.064 16.273 -22.972 1.00 13.23 C ATOM 664 CE1 HIS A 44 20.984 15.855 -24.834 1.00 32.52 C ATOM 665 NE2 HIS A 44 21.628 16.795 -24.165 1.00 53.52 N ATOM 0 H HIS A 44 21.145 11.759 -22.855 1.00 12.51 H new ATOM 0 HA HIS A 44 23.586 13.261 -22.962 1.00 50.24 H new ATOM 0 HB2 HIS A 44 20.893 13.471 -21.658 1.00 75.20 H new ATOM 0 HB3 HIS A 44 22.201 14.406 -20.961 1.00 75.20 H new ATOM 0 HD1 HIS A 44 20.562 13.865 -24.381 1.00 44.12 H new ATOM 0 HD2 HIS A 44 22.621 16.797 -22.209 1.00 13.23 H new ATOM 0 HE1 HIS A 44 20.530 15.970 -25.807 1.00 32.52 H new ATOM 673 N LYS A 45 22.957 11.372 -20.349 1.00 13.22 N ATOM 674 CA LYS A 45 23.545 10.791 -19.148 1.00 44.10 C ATOM 675 C LYS A 45 24.648 9.801 -19.508 1.00 71.53 C ATOM 676 O LYS A 45 25.688 9.752 -18.853 1.00 73.03 O ATOM 677 CB LYS A 45 22.468 10.093 -18.315 1.00 74.53 C ATOM 678 CG LYS A 45 21.203 10.915 -18.143 1.00 40.45 C ATOM 679 CD LYS A 45 21.465 12.181 -17.344 1.00 63.15 C ATOM 680 CE LYS A 45 21.463 11.907 -15.848 1.00 32.12 C ATOM 681 NZ LYS A 45 22.806 11.490 -15.358 1.00 61.40 N1+ ATOM 0 H LYS A 45 22.045 10.989 -20.599 1.00 13.22 H new ATOM 0 HA LYS A 45 23.983 11.597 -18.560 1.00 44.10 H new ATOM 0 HB2 LYS A 45 22.213 9.144 -18.788 1.00 74.53 H new ATOM 0 HB3 LYS A 45 22.876 9.860 -17.332 1.00 74.53 H new ATOM 0 HG2 LYS A 45 20.803 11.178 -19.122 1.00 40.45 H new ATOM 0 HG3 LYS A 45 20.444 10.316 -17.639 1.00 40.45 H new ATOM 0 HD2 LYS A 45 22.426 12.604 -17.636 1.00 63.15 H new ATOM 0 HD3 LYS A 45 20.704 12.925 -17.580 1.00 63.15 H new ATOM 0 HE2 LYS A 45 21.144 12.803 -15.315 1.00 32.12 H new ATOM 0 HE3 LYS A 45 20.736 11.127 -15.623 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 22.761 10.509 -15.015 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 23.494 11.554 -16.135 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 23.101 12.115 -14.581 1.00 61.40 H new ATOM 695 N ASN A 46 24.413 9.014 -20.552 1.00 44.51 N ATOM 696 CA ASN A 46 25.387 8.024 -20.998 1.00 43.23 C ATOM 697 C ASN A 46 26.582 8.699 -21.664 1.00 15.11 C ATOM 698 O ASN A 46 27.666 8.123 -21.750 1.00 20.00 O ATOM 699 CB ASN A 46 24.736 7.039 -21.972 1.00 55.02 C ATOM 700 CG ASN A 46 24.220 5.794 -21.277 1.00 74.42 C ATOM 701 OD1 ASN A 46 24.865 4.746 -21.299 1.00 22.42 O ATOM 702 ND2 ASN A 46 23.053 5.905 -20.654 1.00 50.43 N ATOM 0 H ASN A 46 23.557 9.042 -21.105 1.00 44.51 H new ATOM 0 HA ASN A 46 25.740 7.479 -20.123 1.00 43.23 H new ATOM 0 HB2 ASN A 46 23.912 7.533 -22.487 1.00 55.02 H new ATOM 0 HB3 ASN A 46 25.461 6.752 -22.734 1.00 55.02 H new ATOM 0 HD21 ASN A 46 22.656 5.101 -20.167 1.00 50.43 H new ATOM 0 HD22 ASN A 46 22.553 6.794 -20.662 1.00 50.43 H new ATOM 709 N GLY A 47 26.376 9.926 -22.134 1.00 71.54 N ATOM 710 CA GLY A 47 27.444 10.660 -22.786 1.00 65.12 C ATOM 711 C GLY A 47 27.303 10.674 -24.294 1.00 62.25 C ATOM 712 O GLY A 47 27.988 11.429 -24.984 1.00 22.30 O ATOM 0 H GLY A 47 25.488 10.424 -22.075 1.00 71.54 H new ATOM 0 HA2 GLY A 47 27.454 11.685 -22.416 1.00 65.12 H new ATOM 0 HA3 GLY A 47 28.402 10.215 -22.518 1.00 65.12 H new ATOM 716 N VAL A 48 26.411 9.833 -24.812 1.00 31.22 N ATOM 717 CA VAL A 48 26.182 9.751 -26.249 1.00 41.02 C ATOM 718 C VAL A 48 25.769 11.104 -26.818 1.00 3.44 C ATOM 719 O VAL A 48 24.696 11.619 -26.504 1.00 22.32 O ATOM 720 CB VAL A 48 25.096 8.712 -26.585 1.00 34.34 C ATOM 721 CG1 VAL A 48 24.929 8.582 -28.091 1.00 23.24 C ATOM 722 CG2 VAL A 48 25.435 7.367 -25.961 1.00 32.44 C ATOM 0 H VAL A 48 25.836 9.199 -24.257 1.00 31.22 H new ATOM 0 HA VAL A 48 27.124 9.442 -26.703 1.00 41.02 H new ATOM 0 HB VAL A 48 24.149 9.053 -26.166 1.00 34.34 H new ATOM 0 HG11 VAL A 48 24.158 7.843 -28.309 1.00 23.24 H new ATOM 0 HG12 VAL A 48 24.638 9.545 -28.509 1.00 23.24 H new ATOM 0 HG13 VAL A 48 25.872 8.264 -28.536 1.00 23.24 H new ATOM 0 HG21 VAL A 48 24.657 6.645 -26.208 1.00 32.44 H new ATOM 0 HG22 VAL A 48 26.392 7.017 -26.348 1.00 32.44 H new ATOM 0 HG23 VAL A 48 25.499 7.474 -24.878 1.00 32.44 H new ATOM 732 N ASP A 49 26.627 11.674 -27.657 1.00 40.14 N ATOM 733 CA ASP A 49 26.350 12.966 -28.273 1.00 14.22 C ATOM 734 C ASP A 49 25.267 12.840 -29.340 1.00 34.02 C ATOM 735 O ASP A 49 25.563 12.764 -30.533 1.00 75.21 O ATOM 736 CB ASP A 49 27.626 13.545 -28.887 1.00 52.55 C ATOM 737 CG ASP A 49 27.401 14.911 -29.507 1.00 23.12 C ATOM 738 OD1 ASP A 49 27.096 14.970 -30.717 1.00 1.55 O ATOM 739 OD2 ASP A 49 27.529 15.919 -28.782 1.00 61.21 O1- ATOM 0 H ASP A 49 27.520 11.261 -27.926 1.00 40.14 H new ATOM 0 HA ASP A 49 25.990 13.642 -27.497 1.00 14.22 H new ATOM 0 HB2 ASP A 49 28.394 13.620 -28.118 1.00 52.55 H new ATOM 0 HB3 ASP A 49 28.003 12.861 -29.648 1.00 52.55 H new ATOM 744 N LEU A 50 24.013 12.816 -28.903 1.00 12.10 N ATOM 745 CA LEU A 50 22.886 12.697 -29.821 1.00 14.20 C ATOM 746 C LEU A 50 22.071 13.986 -29.852 1.00 31.24 C ATOM 747 O LEU A 50 21.664 14.499 -28.811 1.00 24.23 O ATOM 748 CB LEU A 50 21.992 11.525 -29.414 1.00 11.15 C ATOM 749 CG LEU A 50 20.601 11.488 -30.049 1.00 12.15 C ATOM 750 CD1 LEU A 50 20.703 11.608 -31.562 1.00 70.43 C ATOM 751 CD2 LEU A 50 19.871 10.212 -29.660 1.00 5.33 C ATOM 0 H LEU A 50 23.751 12.877 -27.919 1.00 12.10 H new ATOM 0 HA LEU A 50 23.281 12.514 -30.820 1.00 14.20 H new ATOM 0 HB2 LEU A 50 22.508 10.598 -29.663 1.00 11.15 H new ATOM 0 HB3 LEU A 50 21.874 11.543 -28.331 1.00 11.15 H new ATOM 0 HG LEU A 50 20.028 12.337 -29.676 1.00 12.15 H new ATOM 0 HD11 LEU A 50 19.704 11.580 -31.997 1.00 70.43 H new ATOM 0 HD12 LEU A 50 21.185 12.551 -31.821 1.00 70.43 H new ATOM 0 HD13 LEU A 50 21.293 10.779 -31.954 1.00 70.43 H new ATOM 0 HD21 LEU A 50 18.883 10.203 -30.121 1.00 5.33 H new ATOM 0 HD22 LEU A 50 20.440 9.348 -30.004 1.00 5.33 H new ATOM 0 HD23 LEU A 50 19.766 10.169 -28.576 1.00 5.33 H new ATOM 905 N CYS A 63 14.133 16.377 -37.007 1.00 12.42 N ATOM 906 CA CYS A 63 15.369 15.617 -36.861 1.00 3.52 C ATOM 907 C CYS A 63 15.191 14.188 -37.366 1.00 2.45 C ATOM 908 O CYS A 63 14.334 13.448 -36.882 1.00 4.13 O ATOM 909 CB CYS A 63 15.812 15.600 -35.397 1.00 25.53 C ATOM 910 SG CYS A 63 14.474 15.223 -34.220 1.00 22.10 S ATOM 0 HA CYS A 63 16.138 16.103 -37.461 1.00 3.52 H new ATOM 0 HB2 CYS A 63 16.605 14.862 -35.277 1.00 25.53 H new ATOM 0 HB3 CYS A 63 16.239 16.571 -35.146 1.00 25.53 H new ATOM 0 HG CYS A 63 14.966 14.609 -33.185 1.00 22.10 H new ATOM 915 N HIS A 64 16.007 13.806 -38.344 1.00 63.44 N ATOM 916 CA HIS A 64 15.941 12.466 -38.915 1.00 3.42 C ATOM 917 C HIS A 64 17.043 11.578 -38.345 1.00 30.22 C ATOM 918 O HIS A 64 18.230 11.857 -38.514 1.00 61.33 O ATOM 919 CB HIS A 64 16.059 12.531 -40.439 1.00 52.43 C ATOM 920 CG HIS A 64 15.236 13.619 -41.057 1.00 13.30 C ATOM 921 ND1 HIS A 64 14.039 14.051 -40.525 1.00 62.35 N ATOM 922 CD2 HIS A 64 15.444 14.363 -42.168 1.00 65.44 C ATOM 923 CE1 HIS A 64 13.546 15.014 -41.283 1.00 13.15 C ATOM 924 NE2 HIS A 64 14.380 15.223 -42.286 1.00 23.12 N ATOM 0 H HIS A 64 16.721 14.406 -38.757 1.00 63.44 H new ATOM 0 HA HIS A 64 14.976 12.033 -38.651 1.00 3.42 H new ATOM 0 HB2 HIS A 64 17.105 12.680 -40.708 1.00 52.43 H new ATOM 0 HB3 HIS A 64 15.755 11.573 -40.860 1.00 52.43 H new ATOM 0 HD2 HIS A 64 16.289 14.293 -42.837 1.00 65.44 H new ATOM 0 HE1 HIS A 64 12.619 15.541 -41.112 1.00 13.15 H new ATOM 0 HE2 HIS A 64 14.254 15.912 -43.028 1.00 23.12 H new ATOM 932 N VAL A 65 16.643 10.507 -37.669 1.00 61.11 N ATOM 933 CA VAL A 65 17.596 9.576 -37.074 1.00 32.34 C ATOM 934 C VAL A 65 17.295 8.141 -37.488 1.00 22.50 C ATOM 935 O VAL A 65 16.161 7.809 -37.834 1.00 34.33 O ATOM 936 CB VAL A 65 17.585 9.669 -35.537 1.00 11.13 C ATOM 937 CG1 VAL A 65 18.770 8.919 -34.948 1.00 72.25 C ATOM 938 CG2 VAL A 65 17.590 11.123 -35.091 1.00 23.01 C ATOM 0 H VAL A 65 15.664 10.261 -37.519 1.00 61.11 H new ATOM 0 HA VAL A 65 18.583 9.856 -37.441 1.00 32.34 H new ATOM 0 HB VAL A 65 16.671 9.203 -35.169 1.00 11.13 H new ATOM 0 HG11 VAL A 65 18.745 8.996 -33.861 1.00 72.25 H new ATOM 0 HG12 VAL A 65 18.718 7.870 -35.239 1.00 72.25 H new ATOM 0 HG13 VAL A 65 19.697 9.353 -35.322 1.00 72.25 H new ATOM 0 HG21 VAL A 65 17.582 11.170 -34.002 1.00 23.01 H new ATOM 0 HG22 VAL A 65 18.486 11.616 -35.469 1.00 23.01 H new ATOM 0 HG23 VAL A 65 16.706 11.627 -35.482 1.00 23.01 H new ATOM 948 N ILE A 66 18.317 7.294 -37.451 1.00 21.12 N ATOM 949 CA ILE A 66 18.162 5.893 -37.820 1.00 32.41 C ATOM 950 C ILE A 66 17.798 5.041 -36.609 1.00 54.10 C ATOM 951 O ILE A 66 18.414 5.155 -35.548 1.00 14.31 O ATOM 952 CB ILE A 66 19.447 5.333 -38.459 1.00 13.50 C ATOM 953 CG1 ILE A 66 19.858 6.186 -39.661 1.00 41.34 C ATOM 954 CG2 ILE A 66 19.243 3.884 -38.876 1.00 64.43 C ATOM 955 CD1 ILE A 66 20.801 7.314 -39.306 1.00 62.21 C ATOM 0 H ILE A 66 19.262 7.554 -37.169 1.00 21.12 H new ATOM 0 HA ILE A 66 17.353 5.848 -38.549 1.00 32.41 H new ATOM 0 HB ILE A 66 20.248 5.369 -37.721 1.00 13.50 H new ATOM 0 HG12 ILE A 66 20.333 5.546 -40.405 1.00 41.34 H new ATOM 0 HG13 ILE A 66 18.963 6.603 -40.124 1.00 41.34 H new ATOM 0 HG21 ILE A 66 20.160 3.502 -39.326 1.00 64.43 H new ATOM 0 HG22 ILE A 66 18.992 3.285 -38.000 1.00 64.43 H new ATOM 0 HG23 ILE A 66 18.431 3.825 -39.601 1.00 64.43 H new ATOM 0 HD11 ILE A 66 21.050 7.877 -40.206 1.00 62.21 H new ATOM 0 HD12 ILE A 66 20.321 7.976 -38.585 1.00 62.21 H new ATOM 0 HD13 ILE A 66 21.712 6.903 -38.871 1.00 62.21 H new ATOM 967 N LEU A 67 16.794 4.187 -36.773 1.00 62.31 N ATOM 968 CA LEU A 67 16.348 3.314 -35.693 1.00 64.04 C ATOM 969 C LEU A 67 16.308 1.858 -36.150 1.00 12.11 C ATOM 970 O LEU A 67 16.250 1.577 -37.346 1.00 61.41 O ATOM 971 CB LEU A 67 14.965 3.744 -35.201 1.00 53.02 C ATOM 972 CG LEU A 67 14.464 3.063 -33.927 1.00 54.25 C ATOM 973 CD1 LEU A 67 15.419 3.321 -32.772 1.00 12.14 C ATOM 974 CD2 LEU A 67 13.062 3.544 -33.581 1.00 10.33 C ATOM 0 H LEU A 67 16.273 4.080 -37.644 1.00 62.31 H new ATOM 0 HA LEU A 67 17.061 3.399 -34.873 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.980 4.821 -35.032 1.00 53.02 H new ATOM 0 HB3 LEU A 67 14.244 3.557 -35.997 1.00 53.02 H new ATOM 0 HG LEU A 67 14.424 1.988 -34.104 1.00 54.25 H new ATOM 0 HD11 LEU A 67 15.046 2.828 -31.874 1.00 12.14 H new ATOM 0 HD12 LEU A 67 16.404 2.926 -33.019 1.00 12.14 H new ATOM 0 HD13 LEU A 67 15.493 4.394 -32.593 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.722 3.049 -32.672 1.00 10.33 H new ATOM 0 HD22 LEU A 67 13.076 4.622 -33.424 1.00 10.33 H new ATOM 0 HD23 LEU A 67 12.383 3.306 -34.400 1.00 10.33 H new ATOM 986 N GLU A 68 16.338 0.941 -35.189 1.00 71.02 N ATOM 987 CA GLU A 68 16.304 -0.485 -35.495 1.00 2.24 C ATOM 988 C GLU A 68 15.224 -0.795 -36.528 1.00 45.14 C ATOM 989 O GLU A 68 14.174 -0.153 -36.554 1.00 70.41 O ATOM 990 CB GLU A 68 16.054 -1.295 -34.221 1.00 2.12 C ATOM 991 CG GLU A 68 17.146 -2.307 -33.920 1.00 61.11 C ATOM 992 CD GLU A 68 16.649 -3.739 -33.982 1.00 60.41 C ATOM 993 OE1 GLU A 68 15.894 -4.144 -33.074 1.00 23.25 O ATOM 994 OE2 GLU A 68 17.015 -4.454 -34.939 1.00 54.52 O1- ATOM 0 H GLU A 68 16.386 1.159 -34.194 1.00 71.02 H new ATOM 0 HA GLU A 68 17.271 -0.765 -35.912 1.00 2.24 H new ATOM 0 HB2 GLU A 68 15.962 -0.611 -33.378 1.00 2.12 H new ATOM 0 HB3 GLU A 68 15.102 -1.817 -34.313 1.00 2.12 H new ATOM 0 HG2 GLU A 68 17.961 -2.178 -34.632 1.00 61.11 H new ATOM 0 HG3 GLU A 68 17.554 -2.111 -32.929 1.00 61.11 H new ATOM 1001 N GLU A 69 15.492 -1.781 -37.377 1.00 22.44 N ATOM 1002 CA GLU A 69 14.545 -2.174 -38.413 1.00 73.04 C ATOM 1003 C GLU A 69 13.218 -2.613 -37.800 1.00 43.43 C ATOM 1004 O GLU A 69 12.163 -2.034 -38.060 1.00 23.14 O ATOM 1005 CB GLU A 69 15.125 -3.307 -39.263 1.00 71.35 C ATOM 1006 CG GLU A 69 15.362 -2.919 -40.713 1.00 42.54 C ATOM 1007 CD GLU A 69 16.416 -3.782 -41.382 1.00 13.13 C ATOM 1008 OE1 GLU A 69 17.611 -3.609 -41.067 1.00 54.15 O ATOM 1009 OE2 GLU A 69 16.043 -4.630 -42.221 1.00 42.34 O1- ATOM 0 H GLU A 69 16.357 -2.322 -37.368 1.00 22.44 H new ATOM 0 HA GLU A 69 14.363 -1.308 -39.049 1.00 73.04 H new ATOM 0 HB2 GLU A 69 16.068 -3.633 -38.824 1.00 71.35 H new ATOM 0 HB3 GLU A 69 14.446 -4.159 -39.230 1.00 71.35 H new ATOM 0 HG2 GLU A 69 14.426 -3.001 -41.265 1.00 42.54 H new ATOM 0 HG3 GLU A 69 15.669 -1.874 -40.760 1.00 42.54 H new ATOM 1016 N PRO A 70 13.272 -3.660 -36.963 1.00 54.22 N ATOM 1017 CA PRO A 70 12.084 -4.201 -36.295 1.00 20.10 C ATOM 1018 C PRO A 70 11.537 -3.254 -35.231 1.00 1.22 C ATOM 1019 O PRO A 70 10.332 -3.010 -35.164 1.00 33.25 O ATOM 1020 CB PRO A 70 12.596 -5.492 -35.650 1.00 54.11 C ATOM 1021 CG PRO A 70 14.055 -5.266 -35.459 1.00 53.54 C ATOM 1022 CD PRO A 70 14.494 -4.398 -36.606 1.00 23.21 C ATOM 0 HA PRO A 70 11.259 -4.355 -36.991 1.00 20.10 H new ATOM 0 HB2 PRO A 70 12.097 -5.685 -34.700 1.00 54.11 H new ATOM 0 HB3 PRO A 70 12.409 -6.355 -36.289 1.00 54.11 H new ATOM 0 HG2 PRO A 70 14.253 -4.780 -34.504 1.00 53.54 H new ATOM 0 HG3 PRO A 70 14.599 -6.211 -35.454 1.00 53.54 H new ATOM 0 HD2 PRO A 70 15.300 -3.724 -36.314 1.00 23.21 H new ATOM 0 HD3 PRO A 70 14.863 -4.993 -37.442 1.00 23.21 H new ATOM 1030 N LEU A 71 12.429 -2.725 -34.402 1.00 73.21 N ATOM 1031 CA LEU A 71 12.036 -1.805 -33.340 1.00 71.13 C ATOM 1032 C LEU A 71 11.232 -0.636 -33.902 1.00 14.24 C ATOM 1033 O LEU A 71 10.169 -0.294 -33.384 1.00 22.31 O ATOM 1034 CB LEU A 71 13.273 -1.282 -32.608 1.00 11.33 C ATOM 1035 CG LEU A 71 13.062 -0.858 -31.153 1.00 51.51 C ATOM 1036 CD1 LEU A 71 12.067 0.288 -31.071 1.00 70.15 C ATOM 1037 CD2 LEU A 71 12.591 -2.038 -30.317 1.00 52.41 C ATOM 0 H LEU A 71 13.430 -2.917 -34.444 1.00 73.21 H new ATOM 0 HA LEU A 71 11.407 -2.350 -32.636 1.00 71.13 H new ATOM 0 HB2 LEU A 71 14.040 -2.056 -32.632 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.664 -0.428 -33.161 1.00 11.33 H new ATOM 0 HG LEU A 71 14.015 -0.513 -30.752 1.00 51.51 H new ATOM 0 HD11 LEU A 71 11.929 0.576 -30.029 1.00 70.15 H new ATOM 0 HD12 LEU A 71 12.446 1.140 -31.636 1.00 70.15 H new ATOM 0 HD13 LEU A 71 11.112 -0.029 -31.489 1.00 70.15 H new ATOM 0 HD21 LEU A 71 12.446 -1.718 -29.285 1.00 52.41 H new ATOM 0 HD22 LEU A 71 11.649 -2.414 -30.716 1.00 52.41 H new ATOM 0 HD23 LEU A 71 13.340 -2.829 -30.350 1.00 52.41 H new ATOM 1049 N TYR A 72 11.746 -0.031 -34.967 1.00 23.13 N ATOM 1050 CA TYR A 72 11.076 1.100 -35.600 1.00 72.33 C ATOM 1051 C TYR A 72 9.779 0.658 -36.270 1.00 64.33 C ATOM 1052 O TYR A 72 8.734 1.286 -36.101 1.00 54.01 O ATOM 1053 CB TYR A 72 11.999 1.754 -36.630 1.00 62.53 C ATOM 1054 CG TYR A 72 11.412 2.994 -37.267 1.00 74.02 C ATOM 1055 CD1 TYR A 72 10.532 2.899 -38.337 1.00 13.23 C ATOM 1056 CD2 TYR A 72 11.739 4.260 -36.798 1.00 33.42 C ATOM 1057 CE1 TYR A 72 9.994 4.029 -38.922 1.00 74.45 C ATOM 1058 CE2 TYR A 72 11.204 5.396 -37.376 1.00 12.54 C ATOM 1059 CZ TYR A 72 10.333 5.275 -38.438 1.00 14.41 C ATOM 1060 OH TYR A 72 9.799 6.403 -39.017 1.00 23.11 O ATOM 0 H TYR A 72 12.623 -0.304 -35.410 1.00 23.13 H new ATOM 0 HA TYR A 72 10.834 1.828 -34.825 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.941 2.015 -36.148 1.00 62.53 H new ATOM 0 HB3 TYR A 72 12.230 1.029 -37.411 1.00 62.53 H new ATOM 0 HD1 TYR A 72 10.264 1.925 -38.718 1.00 13.23 H new ATOM 0 HD2 TYR A 72 12.423 4.358 -35.968 1.00 33.42 H new ATOM 0 HE1 TYR A 72 9.312 3.937 -39.754 1.00 74.45 H new ATOM 0 HE2 TYR A 72 11.467 6.373 -36.998 1.00 12.54 H new ATOM 0 HH TYR A 72 10.488 7.097 -39.078 1.00 23.11 H new ATOM 1070 N ARG A 73 9.854 -0.428 -37.033 1.00 65.44 N ATOM 1071 CA ARG A 73 8.687 -0.955 -37.729 1.00 14.13 C ATOM 1072 C ARG A 73 7.549 -1.231 -36.752 1.00 11.43 C ATOM 1073 O ARG A 73 6.391 -0.910 -37.023 1.00 2.21 O ATOM 1074 CB ARG A 73 9.051 -2.238 -38.481 1.00 24.52 C ATOM 1075 CG ARG A 73 9.273 -2.029 -39.970 1.00 20.20 C ATOM 1076 CD ARG A 73 7.960 -1.792 -40.700 1.00 62.31 C ATOM 1077 NE ARG A 73 7.127 -2.992 -40.733 1.00 14.20 N ATOM 1078 CZ ARG A 73 7.396 -4.052 -41.487 1.00 65.04 C ATOM 1079 NH1 ARG A 73 8.468 -4.062 -42.266 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 6.590 -5.106 -41.462 1.00 13.35 N ATOM 0 H ARG A 73 10.711 -0.960 -37.185 1.00 65.44 H new ATOM 0 HA ARG A 73 8.353 -0.204 -38.445 1.00 14.13 H new ATOM 0 HB2 ARG A 73 9.955 -2.662 -38.043 1.00 24.52 H new ATOM 0 HB3 ARG A 73 8.256 -2.970 -38.340 1.00 24.52 H new ATOM 0 HG2 ARG A 73 9.936 -1.177 -40.124 1.00 20.20 H new ATOM 0 HG3 ARG A 73 9.772 -2.902 -40.391 1.00 20.20 H new ATOM 0 HD2 ARG A 73 7.414 -0.985 -40.211 1.00 62.31 H new ATOM 0 HD3 ARG A 73 8.166 -1.466 -41.719 1.00 62.31 H new ATOM 0 HE ARG A 73 6.294 -3.017 -40.145 1.00 14.20 H new ATOM 0 HH11 ARG A 73 9.090 -3.254 -42.288 1.00 12.32 H new ATOM 0 HH12 ARG A 73 8.671 -4.878 -42.844 1.00 12.32 H new ATOM 0 HH21 ARG A 73 5.764 -5.102 -40.864 1.00 13.35 H new ATOM 0 HH22 ARG A 73 6.797 -5.920 -42.041 1.00 13.35 H new ATOM 1094 N LYS A 74 7.885 -1.830 -35.614 1.00 33.12 N ATOM 1095 CA LYS A 74 6.893 -2.149 -34.595 1.00 31.02 C ATOM 1096 C LYS A 74 6.522 -0.908 -33.789 1.00 63.21 C ATOM 1097 O LYS A 74 5.417 -0.811 -33.252 1.00 75.00 O ATOM 1098 CB LYS A 74 7.424 -3.238 -33.660 1.00 65.31 C ATOM 1099 CG LYS A 74 7.690 -4.561 -34.357 1.00 40.52 C ATOM 1100 CD LYS A 74 7.974 -5.670 -33.357 1.00 34.44 C ATOM 1101 CE LYS A 74 6.699 -6.151 -32.681 1.00 41.15 C ATOM 1102 NZ LYS A 74 6.030 -7.228 -33.462 1.00 30.01 N1+ ATOM 0 H LYS A 74 8.838 -2.104 -35.375 1.00 33.12 H new ATOM 0 HA LYS A 74 5.998 -2.515 -35.097 1.00 31.02 H new ATOM 0 HB2 LYS A 74 8.347 -2.889 -33.197 1.00 65.31 H new ATOM 0 HB3 LYS A 74 6.705 -3.398 -32.857 1.00 65.31 H new ATOM 0 HG2 LYS A 74 6.828 -4.832 -34.967 1.00 40.52 H new ATOM 0 HG3 LYS A 74 8.538 -4.453 -35.033 1.00 40.52 H new ATOM 0 HD2 LYS A 74 8.455 -6.506 -33.866 1.00 34.44 H new ATOM 0 HD3 LYS A 74 8.674 -5.311 -32.603 1.00 34.44 H new ATOM 0 HE2 LYS A 74 6.934 -6.519 -31.682 1.00 41.15 H new ATOM 0 HE3 LYS A 74 6.014 -5.312 -32.559 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 5.165 -7.529 -32.969 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 5.783 -6.870 -34.406 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 6.674 -8.039 -33.557 1.00 30.01 H new ATOM 1116 N LEU A 75 7.450 0.038 -33.709 1.00 52.50 N ATOM 1117 CA LEU A 75 7.220 1.274 -32.969 1.00 65.55 C ATOM 1118 C LEU A 75 6.252 2.185 -33.717 1.00 75.21 C ATOM 1119 O LEU A 75 5.165 2.490 -33.227 1.00 64.44 O ATOM 1120 CB LEU A 75 8.543 2.004 -32.731 1.00 21.23 C ATOM 1121 CG LEU A 75 8.437 3.418 -32.161 1.00 41.12 C ATOM 1122 CD1 LEU A 75 7.303 3.503 -31.153 1.00 62.14 C ATOM 1123 CD2 LEU A 75 9.754 3.836 -31.522 1.00 51.32 C ATOM 0 H LEU A 75 8.369 -0.027 -34.147 1.00 52.50 H new ATOM 0 HA LEU A 75 6.777 1.015 -32.007 1.00 65.55 H new ATOM 0 HB2 LEU A 75 9.148 1.404 -32.051 1.00 21.23 H new ATOM 0 HB3 LEU A 75 9.082 2.055 -33.677 1.00 21.23 H new ATOM 0 HG LEU A 75 8.220 4.104 -32.980 1.00 41.12 H new ATOM 0 HD11 LEU A 75 7.243 4.517 -30.758 1.00 62.14 H new ATOM 0 HD12 LEU A 75 6.362 3.247 -31.641 1.00 62.14 H new ATOM 0 HD13 LEU A 75 7.489 2.806 -30.336 1.00 62.14 H new ATOM 0 HD21 LEU A 75 9.660 4.845 -31.122 1.00 51.32 H new ATOM 0 HD22 LEU A 75 10.002 3.147 -30.715 1.00 51.32 H new ATOM 0 HD23 LEU A 75 10.545 3.815 -32.272 1.00 51.32 H new ATOM 1135 N GLY A 76 6.654 2.615 -34.910 1.00 21.42 N ATOM 1136 CA GLY A 76 5.809 3.483 -35.708 1.00 10.52 C ATOM 1137 C GLY A 76 6.509 3.986 -36.956 1.00 14.51 C ATOM 1138 O GLY A 76 7.694 4.314 -36.920 1.00 71.33 O ATOM 0 H GLY A 76 7.549 2.377 -35.337 1.00 21.42 H new ATOM 0 HA2 GLY A 76 4.906 2.943 -35.994 1.00 10.52 H new ATOM 0 HA3 GLY A 76 5.494 4.334 -35.104 1.00 10.52 H new ATOM 1142 N GLU A 77 5.774 4.043 -38.062 1.00 31.22 N ATOM 1143 CA GLU A 77 6.334 4.507 -39.327 1.00 3.31 C ATOM 1144 C GLU A 77 5.413 5.528 -39.987 1.00 55.51 C ATOM 1145 O GLU A 77 4.211 5.580 -39.724 1.00 65.31 O ATOM 1146 CB GLU A 77 6.564 3.325 -40.271 1.00 60.22 C ATOM 1147 CG GLU A 77 5.423 2.321 -40.280 1.00 64.43 C ATOM 1148 CD GLU A 77 5.317 1.571 -41.593 1.00 52.41 C ATOM 1149 OE1 GLU A 77 5.350 0.323 -41.566 1.00 31.24 O ATOM 1150 OE2 GLU A 77 5.200 2.231 -42.646 1.00 22.41 O1- ATOM 0 H GLU A 77 4.791 3.774 -38.108 1.00 31.22 H new ATOM 0 HA GLU A 77 7.290 4.988 -39.118 1.00 3.31 H new ATOM 0 HB2 GLU A 77 6.712 3.703 -41.283 1.00 60.22 H new ATOM 0 HB3 GLU A 77 7.483 2.815 -39.983 1.00 60.22 H new ATOM 0 HG2 GLU A 77 5.566 1.607 -39.469 1.00 64.43 H new ATOM 0 HG3 GLU A 77 4.485 2.841 -40.086 1.00 64.43 H new ATOM 1157 N PRO A 78 5.988 6.361 -40.867 1.00 13.34 N ATOM 1158 CA PRO A 78 5.238 7.397 -41.583 1.00 21.23 C ATOM 1159 C PRO A 78 4.282 6.810 -42.617 1.00 62.01 C ATOM 1160 O PRO A 78 4.372 5.631 -42.960 1.00 42.25 O ATOM 1161 CB PRO A 78 6.332 8.215 -42.273 1.00 40.44 C ATOM 1162 CG PRO A 78 7.474 7.269 -42.423 1.00 2.43 C ATOM 1163 CD PRO A 78 7.415 6.357 -41.230 1.00 41.44 C ATOM 0 HA PRO A 78 4.609 7.981 -40.912 1.00 21.23 H new ATOM 0 HB2 PRO A 78 5.997 8.588 -43.241 1.00 40.44 H new ATOM 0 HB3 PRO A 78 6.613 9.083 -41.677 1.00 40.44 H new ATOM 0 HG2 PRO A 78 7.393 6.703 -43.351 1.00 2.43 H new ATOM 0 HG3 PRO A 78 8.423 7.805 -42.458 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.765 5.354 -41.474 1.00 41.44 H new ATOM 0 HD3 PRO A 78 8.038 6.722 -40.414 1.00 41.44 H new ATOM 1171 N SER A 79 3.367 7.640 -43.109 1.00 1.54 N ATOM 1172 CA SER A 79 2.392 7.201 -44.100 1.00 22.12 C ATOM 1173 C SER A 79 3.088 6.661 -45.345 1.00 55.34 C ATOM 1174 O SER A 79 4.303 6.790 -45.496 1.00 42.34 O ATOM 1175 CB SER A 79 1.466 8.357 -44.481 1.00 75.41 C ATOM 1176 OG SER A 79 1.252 9.224 -43.380 1.00 71.31 O ATOM 0 H SER A 79 3.281 8.619 -42.837 1.00 1.54 H new ATOM 0 HA SER A 79 1.799 6.399 -43.660 1.00 22.12 H new ATOM 0 HB2 SER A 79 1.900 8.917 -45.310 1.00 75.41 H new ATOM 0 HB3 SER A 79 0.511 7.963 -44.828 1.00 75.41 H new ATOM 0 HG SER A 79 0.658 9.955 -43.650 1.00 71.31 H new ATOM 1182 N ASP A 80 2.310 6.054 -46.234 1.00 2.42 N ATOM 1183 CA ASP A 80 2.850 5.494 -47.468 1.00 64.33 C ATOM 1184 C ASP A 80 3.543 6.572 -48.297 1.00 41.21 C ATOM 1185 O ASP A 80 4.568 6.320 -48.931 1.00 61.31 O ATOM 1186 CB ASP A 80 1.737 4.841 -48.287 1.00 42.53 C ATOM 1187 CG ASP A 80 0.908 3.871 -47.468 1.00 72.41 C ATOM 1188 OD1 ASP A 80 1.288 2.684 -47.389 1.00 61.52 O ATOM 1189 OD2 ASP A 80 -0.120 4.299 -46.904 1.00 62.51 O1- ATOM 0 H ASP A 80 1.303 5.937 -46.123 1.00 2.42 H new ATOM 0 HA ASP A 80 3.587 4.736 -47.202 1.00 64.33 H new ATOM 0 HB2 ASP A 80 1.087 5.616 -48.694 1.00 42.53 H new ATOM 0 HB3 ASP A 80 2.175 4.314 -49.135 1.00 42.53 H new ATOM 1194 N LYS A 81 2.975 7.774 -48.288 1.00 63.24 N ATOM 1195 CA LYS A 81 3.536 8.891 -49.038 1.00 42.30 C ATOM 1196 C LYS A 81 5.011 9.085 -48.703 1.00 52.43 C ATOM 1197 O LYS A 81 5.876 8.954 -49.568 1.00 13.12 O ATOM 1198 CB LYS A 81 2.760 10.175 -48.737 1.00 24.44 C ATOM 1199 CG LYS A 81 1.399 10.236 -49.410 1.00 13.30 C ATOM 1200 CD LYS A 81 1.528 10.359 -50.919 1.00 11.42 C ATOM 1201 CE LYS A 81 0.319 11.054 -51.526 1.00 51.52 C ATOM 1202 NZ LYS A 81 0.302 10.940 -53.011 1.00 62.13 N1+ ATOM 0 H LYS A 81 2.126 7.999 -47.769 1.00 63.24 H new ATOM 0 HA LYS A 81 3.450 8.663 -50.100 1.00 42.30 H new ATOM 0 HB2 LYS A 81 2.627 10.265 -47.659 1.00 24.44 H new ATOM 0 HB3 LYS A 81 3.353 11.032 -49.058 1.00 24.44 H new ATOM 0 HG2 LYS A 81 0.830 9.339 -49.164 1.00 13.30 H new ATOM 0 HG3 LYS A 81 0.838 11.086 -49.021 1.00 13.30 H new ATOM 0 HD2 LYS A 81 2.431 10.918 -51.164 1.00 11.42 H new ATOM 0 HD3 LYS A 81 1.638 9.367 -51.358 1.00 11.42 H new ATOM 0 HE2 LYS A 81 -0.593 10.619 -51.118 1.00 51.52 H new ATOM 0 HE3 LYS A 81 0.325 12.106 -51.242 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 -0.537 11.426 -53.387 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 1.160 11.378 -53.403 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 0.271 9.936 -53.282 1.00 62.13 H new ATOM 1216 N GLU A 82 5.291 9.397 -47.441 1.00 13.40 N ATOM 1217 CA GLU A 82 6.662 9.609 -46.992 1.00 22.15 C ATOM 1218 C GLU A 82 7.454 8.305 -47.031 1.00 24.23 C ATOM 1219 O GLU A 82 8.649 8.302 -47.324 1.00 2.21 O ATOM 1220 CB GLU A 82 6.675 10.185 -45.575 1.00 53.12 C ATOM 1221 CG GLU A 82 6.216 11.631 -45.500 1.00 71.53 C ATOM 1222 CD GLU A 82 6.980 12.535 -46.450 1.00 12.30 C ATOM 1223 OE1 GLU A 82 8.084 12.986 -46.078 1.00 14.14 O ATOM 1224 OE2 GLU A 82 6.474 12.791 -47.562 1.00 32.01 O1- ATOM 0 H GLU A 82 4.586 9.508 -46.712 1.00 13.40 H new ATOM 0 HA GLU A 82 7.134 10.321 -47.669 1.00 22.15 H new ATOM 0 HB2 GLU A 82 6.033 9.576 -44.939 1.00 53.12 H new ATOM 0 HB3 GLU A 82 7.685 10.112 -45.172 1.00 53.12 H new ATOM 0 HG2 GLU A 82 5.152 11.683 -45.731 1.00 71.53 H new ATOM 0 HG3 GLU A 82 6.339 11.995 -44.480 1.00 71.53 H new ATOM 1231 N TYR A 83 6.779 7.201 -46.732 1.00 32.52 N ATOM 1232 CA TYR A 83 7.419 5.891 -46.730 1.00 21.41 C ATOM 1233 C TYR A 83 8.051 5.591 -48.085 1.00 74.33 C ATOM 1234 O TYR A 83 9.235 5.262 -48.172 1.00 30.25 O ATOM 1235 CB TYR A 83 6.403 4.804 -46.378 1.00 60.15 C ATOM 1236 CG TYR A 83 7.024 3.446 -46.141 1.00 3.54 C ATOM 1237 CD1 TYR A 83 7.583 2.724 -47.188 1.00 33.43 C ATOM 1238 CD2 TYR A 83 7.055 2.886 -44.870 1.00 72.12 C ATOM 1239 CE1 TYR A 83 8.153 1.483 -46.977 1.00 3.43 C ATOM 1240 CE2 TYR A 83 7.623 1.646 -44.649 1.00 71.42 C ATOM 1241 CZ TYR A 83 8.170 0.949 -45.706 1.00 11.20 C ATOM 1242 OH TYR A 83 8.737 -0.287 -45.490 1.00 41.13 O ATOM 0 H TYR A 83 5.789 7.187 -46.488 1.00 32.52 H new ATOM 0 HA TYR A 83 8.206 5.901 -45.976 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.857 5.105 -45.484 1.00 60.15 H new ATOM 0 HB3 TYR A 83 5.674 4.725 -47.185 1.00 60.15 H new ATOM 0 HD1 TYR A 83 7.572 3.140 -48.185 1.00 33.43 H new ATOM 0 HD2 TYR A 83 6.628 3.429 -44.040 1.00 72.12 H new ATOM 0 HE1 TYR A 83 8.582 0.935 -47.803 1.00 3.43 H new ATOM 0 HE2 TYR A 83 7.639 1.225 -43.655 1.00 71.42 H new ATOM 0 HH TYR A 83 8.668 -0.517 -44.540 1.00 41.13 H new ATOM 1252 N ASP A 84 7.254 5.707 -49.141 1.00 24.14 N ATOM 1253 CA ASP A 84 7.734 5.450 -50.494 1.00 41.30 C ATOM 1254 C ASP A 84 8.779 6.484 -50.905 1.00 24.23 C ATOM 1255 O ASP A 84 9.795 6.148 -51.514 1.00 11.41 O ATOM 1256 CB ASP A 84 6.569 5.464 -51.484 1.00 33.25 C ATOM 1257 CG ASP A 84 6.754 4.468 -52.611 1.00 12.43 C ATOM 1258 OD1 ASP A 84 5.905 3.562 -52.749 1.00 71.12 O ATOM 1259 OD2 ASP A 84 7.748 4.595 -53.356 1.00 45.14 O1- ATOM 0 H ASP A 84 6.272 5.977 -49.086 1.00 24.14 H new ATOM 0 HA ASP A 84 8.199 4.464 -50.506 1.00 41.30 H new ATOM 0 HB2 ASP A 84 5.643 5.240 -50.954 1.00 33.25 H new ATOM 0 HB3 ASP A 84 6.463 6.465 -51.902 1.00 33.25 H new ATOM 1264 N LEU A 85 8.520 7.744 -50.570 1.00 20.31 N ATOM 1265 CA LEU A 85 9.438 8.827 -50.906 1.00 5.33 C ATOM 1266 C LEU A 85 10.834 8.549 -50.357 1.00 63.15 C ATOM 1267 O LEU A 85 11.837 8.855 -51.002 1.00 64.22 O ATOM 1268 CB LEU A 85 8.916 10.154 -50.350 1.00 32.10 C ATOM 1269 CG LEU A 85 9.738 11.396 -50.694 1.00 40.23 C ATOM 1270 CD1 LEU A 85 9.299 11.974 -52.031 1.00 13.40 C ATOM 1271 CD2 LEU A 85 9.615 12.439 -49.593 1.00 5.43 C ATOM 0 H LEU A 85 7.684 8.040 -50.067 1.00 20.31 H new ATOM 0 HA LEU A 85 9.501 8.893 -51.992 1.00 5.33 H new ATOM 0 HB2 LEU A 85 7.900 10.303 -50.715 1.00 32.10 H new ATOM 0 HB3 LEU A 85 8.856 10.072 -49.265 1.00 32.10 H new ATOM 0 HG LEU A 85 10.785 11.104 -50.775 1.00 40.23 H new ATOM 0 HD11 LEU A 85 9.895 12.857 -52.259 1.00 13.40 H new ATOM 0 HD12 LEU A 85 9.441 11.229 -52.814 1.00 13.40 H new ATOM 0 HD13 LEU A 85 8.246 12.251 -51.980 1.00 13.40 H new ATOM 0 HD21 LEU A 85 10.207 13.316 -49.855 1.00 5.43 H new ATOM 0 HD22 LEU A 85 8.570 12.727 -49.480 1.00 5.43 H new ATOM 0 HD23 LEU A 85 9.980 12.022 -48.654 1.00 5.43 H new ATOM 1283 N ILE A 86 10.890 7.965 -49.165 1.00 45.10 N ATOM 1284 CA ILE A 86 12.163 7.642 -48.532 1.00 32.42 C ATOM 1285 C ILE A 86 12.815 6.432 -49.194 1.00 52.13 C ATOM 1286 O ILE A 86 13.979 6.482 -49.593 1.00 14.31 O ATOM 1287 CB ILE A 86 11.989 7.358 -47.028 1.00 62.20 C ATOM 1288 CG1 ILE A 86 11.377 8.572 -46.325 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.325 6.993 -46.401 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.509 8.211 -45.140 1.00 63.41 C ATOM 0 H ILE A 86 10.069 7.706 -48.618 1.00 45.10 H new ATOM 0 HA ILE A 86 12.807 8.513 -48.657 1.00 32.42 H new ATOM 0 HB ILE A 86 11.311 6.513 -46.908 1.00 62.20 H new ATOM 0 HG12 ILE A 86 12.179 9.230 -45.990 1.00 10.12 H new ATOM 0 HG13 ILE A 86 10.781 9.135 -47.043 1.00 10.12 H new ATOM 0 HG21 ILE A 86 13.186 6.795 -45.338 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.724 6.102 -46.887 1.00 11.21 H new ATOM 0 HG23 ILE A 86 14.024 7.819 -46.528 1.00 11.21 H new ATOM 0 HD11 ILE A 86 10.109 9.120 -44.691 1.00 63.41 H new ATOM 0 HD12 ILE A 86 9.686 7.578 -45.471 1.00 63.41 H new ATOM 0 HD13 ILE A 86 11.105 7.674 -44.402 1.00 63.41 H new ATOM 1302 N ASP A 87 12.056 5.348 -49.310 1.00 50.21 N ATOM 1303 CA ASP A 87 12.558 4.126 -49.926 1.00 61.54 C ATOM 1304 C ASP A 87 13.003 4.385 -51.363 1.00 73.01 C ATOM 1305 O ASP A 87 13.799 3.630 -51.920 1.00 74.03 O ATOM 1306 CB ASP A 87 11.483 3.037 -49.901 1.00 35.13 C ATOM 1307 CG ASP A 87 12.071 1.641 -49.954 1.00 41.55 C ATOM 1308 OD1 ASP A 87 11.942 0.983 -51.007 1.00 61.45 O ATOM 1309 OD2 ASP A 87 12.661 1.207 -48.943 1.00 51.34 O1- ATOM 0 H ASP A 87 11.091 5.291 -48.985 1.00 50.21 H new ATOM 0 HA ASP A 87 13.421 3.787 -49.352 1.00 61.54 H new ATOM 0 HB2 ASP A 87 10.885 3.142 -48.996 1.00 35.13 H new ATOM 0 HB3 ASP A 87 10.809 3.176 -50.746 1.00 35.13 H new ATOM 1314 N GLN A 88 12.483 5.455 -51.953 1.00 32.35 N ATOM 1315 CA GLN A 88 12.827 5.812 -53.325 1.00 71.22 C ATOM 1316 C GLN A 88 14.215 6.439 -53.393 1.00 44.01 C ATOM 1317 O GLN A 88 14.877 6.394 -54.430 1.00 30.30 O ATOM 1318 CB GLN A 88 11.789 6.779 -53.898 1.00 71.55 C ATOM 1319 CG GLN A 88 10.542 6.090 -54.428 1.00 72.24 C ATOM 1320 CD GLN A 88 10.671 5.690 -55.885 1.00 74.11 C ATOM 1321 OE1 GLN A 88 10.445 4.534 -56.246 1.00 14.12 O ATOM 1322 NE2 GLN A 88 11.036 6.646 -56.731 1.00 31.43 N ATOM 0 H GLN A 88 11.823 6.090 -51.504 1.00 32.35 H new ATOM 0 HA GLN A 88 12.831 4.899 -53.921 1.00 71.22 H new ATOM 0 HB2 GLN A 88 11.500 7.489 -53.123 1.00 71.55 H new ATOM 0 HB3 GLN A 88 12.246 7.354 -54.703 1.00 71.55 H new ATOM 0 HG2 GLN A 88 10.339 5.203 -53.828 1.00 72.24 H new ATOM 0 HG3 GLN A 88 9.687 6.756 -54.312 1.00 72.24 H new ATOM 0 HE21 GLN A 88 11.213 7.590 -56.388 1.00 31.43 H new ATOM 0 HE22 GLN A 88 11.139 6.436 -57.724 1.00 31.43 H new ATOM 1331 N ALA A 89 14.650 7.023 -52.282 1.00 43.05 N ATOM 1332 CA ALA A 89 15.962 7.658 -52.215 1.00 33.15 C ATOM 1333 C ALA A 89 17.070 6.616 -52.107 1.00 24.14 C ATOM 1334 O ALA A 89 16.818 5.458 -51.775 1.00 71.13 O ATOM 1335 CB ALA A 89 16.022 8.620 -51.039 1.00 12.20 C ATOM 0 H ALA A 89 14.114 7.070 -51.416 1.00 43.05 H new ATOM 0 HA ALA A 89 16.116 8.219 -53.137 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.006 9.087 -51.001 1.00 12.20 H new ATOM 0 HB2 ALA A 89 15.260 9.390 -51.159 1.00 12.20 H new ATOM 0 HB3 ALA A 89 15.843 8.074 -50.113 1.00 12.20 H new ATOM 1341 N PHE A 90 18.299 7.036 -52.389 1.00 74.20 N ATOM 1342 CA PHE A 90 19.447 6.139 -52.325 1.00 75.52 C ATOM 1343 C PHE A 90 19.769 5.770 -50.880 1.00 71.45 C ATOM 1344 O PHE A 90 20.106 6.630 -50.068 1.00 12.24 O ATOM 1345 CB PHE A 90 20.667 6.790 -52.981 1.00 64.23 C ATOM 1346 CG PHE A 90 20.643 6.732 -54.482 1.00 13.13 C ATOM 1347 CD1 PHE A 90 20.582 5.513 -55.140 1.00 30.42 C ATOM 1348 CD2 PHE A 90 20.683 7.893 -55.235 1.00 65.35 C ATOM 1349 CE1 PHE A 90 20.560 5.456 -56.520 1.00 45.43 C ATOM 1350 CE2 PHE A 90 20.661 7.843 -56.615 1.00 31.34 C ATOM 1351 CZ PHE A 90 20.601 6.622 -57.259 1.00 1.02 C ATOM 0 H PHE A 90 18.525 7.992 -52.664 1.00 74.20 H new ATOM 0 HA PHE A 90 19.195 5.227 -52.867 1.00 75.52 H new ATOM 0 HB2 PHE A 90 20.726 7.832 -52.667 1.00 64.23 H new ATOM 0 HB3 PHE A 90 21.570 6.297 -52.621 1.00 64.23 H new ATOM 0 HD1 PHE A 90 20.551 4.598 -54.567 1.00 30.42 H new ATOM 0 HD2 PHE A 90 20.732 8.850 -54.737 1.00 65.35 H new ATOM 0 HE1 PHE A 90 20.511 4.500 -57.021 1.00 45.43 H new ATOM 0 HE2 PHE A 90 20.691 8.757 -57.190 1.00 31.34 H new ATOM 0 HZ PHE A 90 20.586 6.580 -58.338 1.00 1.02 H new ATOM 1361 N GLY A 91 19.661 4.482 -50.567 1.00 12.51 N ATOM 1362 CA GLY A 91 19.943 4.020 -49.220 1.00 14.41 C ATOM 1363 C GLY A 91 19.178 4.798 -48.168 1.00 73.13 C ATOM 1364 O GLY A 91 19.730 5.159 -47.129 1.00 4.35 O ATOM 0 H GLY A 91 19.383 3.751 -51.222 1.00 12.51 H new ATOM 0 HA2 GLY A 91 19.690 2.963 -49.141 1.00 14.41 H new ATOM 0 HA3 GLY A 91 21.012 4.107 -49.026 1.00 14.41 H new ATOM 1368 N ALA A 92 17.903 5.058 -48.439 1.00 4.24 N ATOM 1369 CA ALA A 92 17.060 5.799 -47.508 1.00 70.22 C ATOM 1370 C ALA A 92 15.954 4.913 -46.945 1.00 24.25 C ATOM 1371 O ALA A 92 15.149 4.356 -47.692 1.00 13.15 O ATOM 1372 CB ALA A 92 16.463 7.021 -48.192 1.00 0.13 C ATOM 0 H ALA A 92 17.431 4.767 -49.295 1.00 4.24 H new ATOM 0 HA ALA A 92 17.683 6.130 -46.677 1.00 70.22 H new ATOM 0 HB1 ALA A 92 15.836 7.564 -47.485 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.265 7.672 -48.540 1.00 0.13 H new ATOM 0 HB3 ALA A 92 15.859 6.703 -49.042 1.00 0.13 H new ATOM 1378 N THR A 93 15.921 4.785 -45.622 1.00 45.11 N ATOM 1379 CA THR A 93 14.914 3.964 -44.959 1.00 43.04 C ATOM 1380 C THR A 93 14.017 4.811 -44.063 1.00 51.13 C ATOM 1381 O THR A 93 14.472 5.770 -43.440 1.00 12.44 O ATOM 1382 CB THR A 93 15.564 2.854 -44.112 1.00 14.42 C ATOM 1383 OG1 THR A 93 16.870 2.554 -44.616 1.00 31.50 O ATOM 1384 CG2 THR A 93 14.710 1.596 -44.122 1.00 75.11 C ATOM 0 H THR A 93 16.579 5.239 -44.989 1.00 45.11 H new ATOM 0 HA THR A 93 14.312 3.507 -45.744 1.00 43.04 H new ATOM 0 HB THR A 93 15.645 3.211 -43.085 1.00 14.42 H new ATOM 0 HG1 THR A 93 17.277 1.849 -44.071 1.00 31.50 H new ATOM 0 HG21 THR A 93 15.189 0.826 -43.517 1.00 75.11 H new ATOM 0 HG22 THR A 93 13.726 1.821 -43.710 1.00 75.11 H new ATOM 0 HG23 THR A 93 14.602 1.238 -45.146 1.00 75.11 H new ATOM 1392 N GLY A 94 12.739 4.451 -44.002 1.00 64.34 N ATOM 1393 CA GLY A 94 11.798 5.188 -43.179 1.00 73.52 C ATOM 1394 C GLY A 94 12.240 5.278 -41.732 1.00 11.42 C ATOM 1395 O GLY A 94 11.832 6.185 -41.005 1.00 75.13 O ATOM 0 H GLY A 94 12.338 3.661 -44.508 1.00 64.34 H new ATOM 0 HA2 GLY A 94 11.677 6.194 -43.582 1.00 73.52 H new ATOM 0 HA3 GLY A 94 10.822 4.706 -43.228 1.00 73.52 H new ATOM 1399 N THR A 95 13.079 4.337 -41.311 1.00 3.02 N ATOM 1400 CA THR A 95 13.575 4.312 -39.941 1.00 45.00 C ATOM 1401 C THR A 95 14.612 5.405 -39.712 1.00 1.41 C ATOM 1402 O THR A 95 15.118 5.572 -38.602 1.00 53.40 O ATOM 1403 CB THR A 95 14.199 2.947 -39.594 1.00 64.24 C ATOM 1404 OG1 THR A 95 15.456 2.799 -40.264 1.00 24.23 O ATOM 1405 CG2 THR A 95 13.270 1.810 -39.992 1.00 23.25 C ATOM 0 H THR A 95 13.429 3.582 -41.900 1.00 3.02 H new ATOM 0 HA THR A 95 12.717 4.487 -39.291 1.00 45.00 H new ATOM 0 HB THR A 95 14.355 2.907 -38.516 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.847 1.930 -40.037 1.00 24.23 H new ATOM 0 HG21 THR A 95 13.732 0.856 -39.737 1.00 23.25 H new ATOM 0 HG22 THR A 95 12.325 1.909 -39.459 1.00 23.25 H new ATOM 0 HG23 THR A 95 13.087 1.849 -41.066 1.00 23.25 H new ATOM 1413 N SER A 96 14.924 6.149 -40.768 1.00 4.44 N ATOM 1414 CA SER A 96 15.904 7.225 -40.682 1.00 60.11 C ATOM 1415 C SER A 96 15.231 8.544 -40.316 1.00 71.41 C ATOM 1416 O SER A 96 15.897 9.512 -39.946 1.00 10.54 O ATOM 1417 CB SER A 96 16.650 7.372 -42.010 1.00 33.34 C ATOM 1418 OG SER A 96 17.644 8.378 -41.929 1.00 54.01 O ATOM 0 H SER A 96 14.512 6.026 -41.693 1.00 4.44 H new ATOM 0 HA SER A 96 16.618 6.971 -39.899 1.00 60.11 H new ATOM 0 HB2 SER A 96 17.111 6.422 -42.278 1.00 33.34 H new ATOM 0 HB3 SER A 96 15.943 7.618 -42.802 1.00 33.34 H new ATOM 0 HG SER A 96 17.443 8.977 -41.180 1.00 54.01 H new ATOM 1424 N ARG A 97 13.907 8.576 -40.422 1.00 14.14 N ATOM 1425 CA ARG A 97 13.143 9.776 -40.103 1.00 44.44 C ATOM 1426 C ARG A 97 12.059 9.472 -39.073 1.00 41.24 C ATOM 1427 O ARG A 97 11.644 8.324 -38.913 1.00 64.24 O ATOM 1428 CB ARG A 97 12.510 10.355 -41.370 1.00 70.20 C ATOM 1429 CG ARG A 97 11.995 11.774 -41.199 1.00 33.41 C ATOM 1430 CD ARG A 97 10.476 11.810 -41.125 1.00 21.13 C ATOM 1431 NE ARG A 97 9.925 13.004 -41.760 1.00 44.32 N ATOM 1432 CZ ARG A 97 8.632 13.309 -41.757 1.00 45.23 C ATOM 1433 NH1 ARG A 97 7.762 12.512 -41.153 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 8.208 14.414 -42.357 1.00 33.05 N ATOM 0 H ARG A 97 13.341 7.784 -40.727 1.00 14.14 H new ATOM 0 HA ARG A 97 13.828 10.511 -39.679 1.00 44.44 H new ATOM 0 HB2 ARG A 97 13.246 10.339 -42.174 1.00 70.20 H new ATOM 0 HB3 ARG A 97 11.685 9.713 -41.680 1.00 70.20 H new ATOM 0 HG2 ARG A 97 12.415 12.208 -40.292 1.00 33.41 H new ATOM 0 HG3 ARG A 97 12.334 12.388 -42.033 1.00 33.41 H new ATOM 0 HD2 ARG A 97 10.068 10.922 -41.608 1.00 21.13 H new ATOM 0 HD3 ARG A 97 10.163 11.777 -40.081 1.00 21.13 H new ATOM 0 HE ARG A 97 10.569 13.639 -42.232 1.00 44.32 H new ATOM 0 HH11 ARG A 97 8.085 11.663 -40.689 1.00 54.10 H new ATOM 0 HH12 ARG A 97 6.770 12.748 -41.152 1.00 54.10 H new ATOM 0 HH21 ARG A 97 8.875 15.030 -42.821 1.00 33.05 H new ATOM 0 HH22 ARG A 97 7.215 14.647 -42.354 1.00 33.05 H new ATOM 1448 N LEU A 98 11.604 10.509 -38.378 1.00 2.12 N ATOM 1449 CA LEU A 98 10.569 10.354 -37.362 1.00 73.45 C ATOM 1450 C LEU A 98 10.990 9.338 -36.305 1.00 21.34 C ATOM 1451 O LEU A 98 10.407 8.260 -36.199 1.00 13.34 O ATOM 1452 CB LEU A 98 9.253 9.918 -38.010 1.00 23.22 C ATOM 1453 CG LEU A 98 7.979 10.241 -37.227 1.00 64.21 C ATOM 1454 CD1 LEU A 98 7.770 11.745 -37.148 1.00 54.22 C ATOM 1455 CD2 LEU A 98 6.775 9.565 -37.866 1.00 44.21 C ATOM 0 H LEU A 98 11.936 11.466 -38.500 1.00 2.12 H new ATOM 0 HA LEU A 98 10.426 11.318 -36.874 1.00 73.45 H new ATOM 0 HB2 LEU A 98 9.181 10.388 -38.991 1.00 23.22 H new ATOM 0 HB3 LEU A 98 9.291 8.841 -38.174 1.00 23.22 H new ATOM 0 HG LEU A 98 8.090 9.856 -36.213 1.00 64.21 H new ATOM 0 HD11 LEU A 98 6.859 11.957 -36.588 1.00 54.22 H new ATOM 0 HD12 LEU A 98 8.621 12.205 -36.645 1.00 54.22 H new ATOM 0 HD13 LEU A 98 7.680 12.153 -38.155 1.00 54.22 H new ATOM 0 HD21 LEU A 98 5.878 9.806 -37.296 1.00 44.21 H new ATOM 0 HD22 LEU A 98 6.660 9.919 -38.890 1.00 44.21 H new ATOM 0 HD23 LEU A 98 6.924 8.485 -37.870 1.00 44.21 H new ATOM 1467 N GLY A 99 12.005 9.692 -35.523 1.00 65.55 N ATOM 1468 CA GLY A 99 12.485 8.802 -34.482 1.00 71.01 C ATOM 1469 C GLY A 99 13.284 9.530 -33.419 1.00 52.33 C ATOM 1470 O GLY A 99 14.466 9.252 -33.220 1.00 62.04 O ATOM 0 H GLY A 99 12.504 10.579 -35.592 1.00 65.55 H new ATOM 0 HA2 GLY A 99 11.636 8.303 -34.015 1.00 71.01 H new ATOM 0 HA3 GLY A 99 13.105 8.025 -34.930 1.00 71.01 H new ATOM 1474 N CYS A 100 12.636 10.466 -32.734 1.00 23.20 N ATOM 1475 CA CYS A 100 13.292 11.239 -31.685 1.00 42.23 C ATOM 1476 C CYS A 100 12.415 11.321 -30.440 1.00 61.43 C ATOM 1477 O CYS A 100 12.677 10.652 -29.440 1.00 22.54 O ATOM 1478 CB CYS A 100 13.616 12.647 -32.189 1.00 12.14 C ATOM 1479 SG CYS A 100 14.412 13.716 -30.946 1.00 33.11 S ATOM 0 H CYS A 100 11.657 10.708 -32.886 1.00 23.20 H new ATOM 0 HA CYS A 100 14.220 10.732 -31.420 1.00 42.23 H new ATOM 0 HB2 CYS A 100 14.270 12.569 -33.058 1.00 12.14 H new ATOM 0 HB3 CYS A 100 12.694 13.122 -32.525 1.00 12.14 H new ATOM 0 HG CYS A 100 14.381 14.951 -31.352 1.00 33.11 H new ATOM 1484 N GLN A 101 11.373 12.144 -30.508 1.00 51.23 N ATOM 1485 CA GLN A 101 10.458 12.314 -29.386 1.00 32.50 C ATOM 1486 C GLN A 101 9.738 11.007 -29.070 1.00 24.44 C ATOM 1487 O GLN A 101 8.700 10.700 -29.658 1.00 62.34 O ATOM 1488 CB GLN A 101 9.438 13.411 -29.694 1.00 54.33 C ATOM 1489 CG GLN A 101 8.839 14.051 -28.452 1.00 51.15 C ATOM 1490 CD GLN A 101 7.906 13.117 -27.707 1.00 64.22 C ATOM 1491 OE1 GLN A 101 8.113 12.824 -26.528 1.00 14.41 O ATOM 1492 NE2 GLN A 101 6.872 12.642 -28.392 1.00 64.44 N ATOM 0 H GLN A 101 11.142 12.704 -31.329 1.00 51.23 H new ATOM 0 HA GLN A 101 11.042 12.607 -28.513 1.00 32.50 H new ATOM 0 HB2 GLN A 101 9.918 14.183 -30.295 1.00 54.33 H new ATOM 0 HB3 GLN A 101 8.635 12.990 -30.299 1.00 54.33 H new ATOM 0 HG2 GLN A 101 9.643 14.364 -27.785 1.00 51.15 H new ATOM 0 HG3 GLN A 101 8.294 14.951 -28.738 1.00 51.15 H new ATOM 0 HE21 GLN A 101 6.739 12.911 -29.367 1.00 64.44 H new ATOM 0 HE22 GLN A 101 6.211 12.008 -27.943 1.00 64.44 H new ATOM 1501 N LEU A 102 10.296 10.241 -28.138 1.00 65.25 N ATOM 1502 CA LEU A 102 9.706 8.966 -27.743 1.00 63.32 C ATOM 1503 C LEU A 102 9.939 8.696 -26.260 1.00 43.03 C ATOM 1504 O LEU A 102 10.766 9.347 -25.623 1.00 43.45 O ATOM 1505 CB LEU A 102 10.294 7.830 -28.580 1.00 54.24 C ATOM 1506 CG LEU A 102 9.769 7.708 -30.011 1.00 12.13 C ATOM 1507 CD1 LEU A 102 10.795 7.021 -30.899 1.00 65.13 C ATOM 1508 CD2 LEU A 102 8.450 6.952 -30.034 1.00 5.14 C ATOM 0 H LEU A 102 11.155 10.480 -27.642 1.00 65.25 H new ATOM 0 HA LEU A 102 8.632 9.019 -27.919 1.00 63.32 H new ATOM 0 HB2 LEU A 102 11.376 7.958 -28.621 1.00 54.24 H new ATOM 0 HB3 LEU A 102 10.104 6.889 -28.063 1.00 54.24 H new ATOM 0 HG LEU A 102 9.595 8.711 -30.400 1.00 12.13 H new ATOM 0 HD11 LEU A 102 10.404 6.943 -31.913 1.00 65.13 H new ATOM 0 HD12 LEU A 102 11.716 7.604 -30.909 1.00 65.13 H new ATOM 0 HD13 LEU A 102 11.001 6.023 -30.512 1.00 65.13 H new ATOM 0 HD21 LEU A 102 8.092 6.875 -31.061 1.00 5.14 H new ATOM 0 HD22 LEU A 102 8.596 5.952 -29.625 1.00 5.14 H new ATOM 0 HD23 LEU A 102 7.714 7.486 -29.432 1.00 5.14 H new ATOM 1520 N ARG A 103 9.205 7.728 -25.718 1.00 52.25 N ATOM 1521 CA ARG A 103 9.333 7.370 -24.310 1.00 12.23 C ATOM 1522 C ARG A 103 9.940 5.979 -24.156 1.00 22.20 C ATOM 1523 O ARG A 103 10.092 5.245 -25.134 1.00 3.34 O ATOM 1524 CB ARG A 103 7.968 7.423 -23.623 1.00 33.05 C ATOM 1525 CG ARG A 103 7.545 8.824 -23.214 1.00 62.04 C ATOM 1526 CD ARG A 103 8.299 9.296 -21.982 1.00 70.21 C ATOM 1527 NE ARG A 103 8.164 10.736 -21.775 1.00 53.42 N ATOM 1528 CZ ARG A 103 7.087 11.303 -21.243 1.00 21.50 C ATOM 1529 NH1 ARG A 103 6.058 10.557 -20.865 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 7.038 12.620 -21.085 1.00 43.51 N ATOM 0 H ARG A 103 8.516 7.179 -26.232 1.00 52.25 H new ATOM 0 HA ARG A 103 9.998 8.091 -23.836 1.00 12.23 H new ATOM 0 HB2 ARG A 103 7.217 7.007 -24.294 1.00 33.05 H new ATOM 0 HB3 ARG A 103 7.991 6.787 -22.738 1.00 33.05 H new ATOM 0 HG2 ARG A 103 7.724 9.514 -24.038 1.00 62.04 H new ATOM 0 HG3 ARG A 103 6.474 8.838 -23.014 1.00 62.04 H new ATOM 0 HD2 ARG A 103 7.927 8.767 -21.105 1.00 70.21 H new ATOM 0 HD3 ARG A 103 9.354 9.042 -22.083 1.00 70.21 H new ATOM 0 HE ARG A 103 8.938 11.338 -22.054 1.00 53.42 H new ATOM 0 HH11 ARG A 103 6.092 9.544 -20.982 1.00 52.01 H new ATOM 0 HH12 ARG A 103 5.233 10.996 -20.457 1.00 52.01 H new ATOM 0 HH21 ARG A 103 7.828 13.198 -21.372 1.00 43.51 H new ATOM 0 HH22 ARG A 103 6.210 13.054 -20.676 1.00 43.51 H new ATOM 1544 N VAL A 104 10.284 5.621 -22.923 1.00 21.01 N ATOM 1545 CA VAL A 104 10.873 4.318 -22.641 1.00 23.15 C ATOM 1546 C VAL A 104 9.806 3.311 -22.224 1.00 51.50 C ATOM 1547 O VAL A 104 9.166 3.465 -21.184 1.00 20.41 O ATOM 1548 CB VAL A 104 11.937 4.411 -21.531 1.00 3.52 C ATOM 1549 CG1 VAL A 104 12.659 3.082 -21.371 1.00 0.25 C ATOM 1550 CG2 VAL A 104 12.922 5.531 -21.830 1.00 72.24 C ATOM 0 H VAL A 104 10.165 6.216 -22.103 1.00 21.01 H new ATOM 0 HA VAL A 104 11.348 3.980 -23.562 1.00 23.15 H new ATOM 0 HB VAL A 104 11.437 4.640 -20.590 1.00 3.52 H new ATOM 0 HG11 VAL A 104 13.407 3.167 -20.583 1.00 0.25 H new ATOM 0 HG12 VAL A 104 11.940 2.307 -21.107 1.00 0.25 H new ATOM 0 HG13 VAL A 104 13.149 2.819 -22.309 1.00 0.25 H new ATOM 0 HG21 VAL A 104 13.667 5.582 -21.036 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.418 5.335 -22.780 1.00 72.24 H new ATOM 0 HG23 VAL A 104 12.388 6.479 -21.888 1.00 72.24 H new ATOM 1560 N ASP A 105 9.620 2.282 -23.043 1.00 71.13 N ATOM 1561 CA ASP A 105 8.631 1.249 -22.759 1.00 40.04 C ATOM 1562 C ASP A 105 9.199 -0.138 -23.045 1.00 72.04 C ATOM 1563 O ASP A 105 10.323 -0.275 -23.527 1.00 10.30 O ATOM 1564 CB ASP A 105 7.369 1.478 -23.591 1.00 44.20 C ATOM 1565 CG ASP A 105 6.112 1.029 -22.872 1.00 65.14 C ATOM 1566 OD1 ASP A 105 5.184 0.538 -23.549 1.00 23.23 O ATOM 1567 OD2 ASP A 105 6.057 1.169 -21.632 1.00 33.31 O1- ATOM 0 H ASP A 105 10.141 2.141 -23.909 1.00 71.13 H new ATOM 0 HA ASP A 105 8.374 1.307 -21.701 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.286 2.537 -23.835 1.00 44.20 H new ATOM 0 HB3 ASP A 105 7.457 0.939 -24.534 1.00 44.20 H new ATOM 1572 N LYS A 106 8.413 -1.167 -22.744 1.00 24.41 N ATOM 1573 CA LYS A 106 8.835 -2.545 -22.968 1.00 72.51 C ATOM 1574 C LYS A 106 9.198 -2.771 -24.432 1.00 64.01 C ATOM 1575 O LYS A 106 10.128 -3.516 -24.742 1.00 34.22 O ATOM 1576 CB LYS A 106 7.726 -3.513 -22.551 1.00 13.33 C ATOM 1577 CG LYS A 106 6.445 -3.351 -23.350 1.00 33.41 C ATOM 1578 CD LYS A 106 5.234 -3.832 -22.566 1.00 30.24 C ATOM 1579 CE LYS A 106 3.977 -3.826 -23.422 1.00 13.42 C ATOM 1580 NZ LYS A 106 2.757 -4.114 -22.620 1.00 24.12 N1+ ATOM 0 H LYS A 106 7.480 -1.072 -22.344 1.00 24.41 H new ATOM 0 HA LYS A 106 9.720 -2.732 -22.360 1.00 72.51 H new ATOM 0 HB2 LYS A 106 8.087 -4.535 -22.662 1.00 13.33 H new ATOM 0 HB3 LYS A 106 7.506 -3.366 -21.494 1.00 13.33 H new ATOM 0 HG2 LYS A 106 6.313 -2.303 -23.619 1.00 33.41 H new ATOM 0 HG3 LYS A 106 6.523 -3.912 -24.282 1.00 33.41 H new ATOM 0 HD2 LYS A 106 5.417 -4.840 -22.194 1.00 30.24 H new ATOM 0 HD3 LYS A 106 5.086 -3.193 -21.696 1.00 30.24 H new ATOM 0 HE2 LYS A 106 3.872 -2.855 -23.906 1.00 13.42 H new ATOM 0 HE3 LYS A 106 4.074 -4.568 -24.214 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 1.922 -4.101 -23.240 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 2.845 -5.051 -22.178 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 2.650 -3.391 -21.880 1.00 24.12 H new ATOM 1594 N SER A 107 8.460 -2.122 -25.326 1.00 1.32 N ATOM 1595 CA SER A 107 8.704 -2.255 -26.758 1.00 32.25 C ATOM 1596 C SER A 107 10.075 -1.699 -27.130 1.00 64.51 C ATOM 1597 O SER A 107 10.646 -2.059 -28.160 1.00 35.32 O ATOM 1598 CB SER A 107 7.615 -1.532 -27.553 1.00 25.21 C ATOM 1599 OG SER A 107 6.390 -1.515 -26.840 1.00 60.12 O ATOM 0 H SER A 107 7.689 -1.499 -25.085 1.00 1.32 H new ATOM 0 HA SER A 107 8.682 -3.316 -27.007 1.00 32.25 H new ATOM 0 HB2 SER A 107 7.931 -0.510 -27.763 1.00 25.21 H new ATOM 0 HB3 SER A 107 7.473 -2.026 -28.514 1.00 25.21 H new ATOM 0 HG SER A 107 5.711 -1.046 -27.368 1.00 60.12 H new ATOM 1605 N PHE A 108 10.597 -0.816 -26.285 1.00 54.12 N ATOM 1606 CA PHE A 108 11.901 -0.208 -26.523 1.00 31.34 C ATOM 1607 C PHE A 108 13.021 -1.092 -25.983 1.00 52.43 C ATOM 1608 O PHE A 108 14.190 -0.708 -25.998 1.00 20.31 O ATOM 1609 CB PHE A 108 11.968 1.176 -25.873 1.00 33.33 C ATOM 1610 CG PHE A 108 11.446 2.277 -26.751 1.00 11.41 C ATOM 1611 CD1 PHE A 108 12.149 3.463 -26.888 1.00 41.10 C ATOM 1612 CD2 PHE A 108 10.252 2.126 -27.437 1.00 23.10 C ATOM 1613 CE1 PHE A 108 11.670 4.478 -27.695 1.00 64.01 C ATOM 1614 CE2 PHE A 108 9.769 3.137 -28.245 1.00 0.32 C ATOM 1615 CZ PHE A 108 10.479 4.316 -28.374 1.00 71.21 C ATOM 0 H PHE A 108 10.137 -0.506 -25.429 1.00 54.12 H new ATOM 0 HA PHE A 108 12.034 -0.103 -27.600 1.00 31.34 H new ATOM 0 HB2 PHE A 108 11.397 1.161 -24.945 1.00 33.33 H new ATOM 0 HB3 PHE A 108 13.002 1.394 -25.607 1.00 33.33 H new ATOM 0 HD1 PHE A 108 13.081 3.596 -26.359 1.00 41.10 H new ATOM 0 HD2 PHE A 108 9.692 1.207 -27.339 1.00 23.10 H new ATOM 0 HE1 PHE A 108 12.227 5.398 -27.794 1.00 64.01 H new ATOM 0 HE2 PHE A 108 8.837 3.006 -28.776 1.00 0.32 H new ATOM 0 HZ PHE A 108 10.103 5.108 -29.004 1.00 71.21 H new ATOM 1625 N GLU A 109 12.653 -2.276 -25.504 1.00 45.42 N ATOM 1626 CA GLU A 109 13.628 -3.214 -24.957 1.00 14.13 C ATOM 1627 C GLU A 109 14.680 -3.576 -26.001 1.00 53.04 C ATOM 1628 O GLU A 109 14.354 -4.062 -27.084 1.00 0.14 O ATOM 1629 CB GLU A 109 12.926 -4.481 -24.462 1.00 15.44 C ATOM 1630 CG GLU A 109 13.853 -5.450 -23.749 1.00 21.13 C ATOM 1631 CD GLU A 109 13.116 -6.638 -23.163 1.00 40.23 C ATOM 1632 OE1 GLU A 109 13.789 -7.578 -22.688 1.00 23.25 O ATOM 1633 OE2 GLU A 109 11.868 -6.630 -23.180 1.00 62.22 O1- ATOM 0 H GLU A 109 11.689 -2.609 -25.483 1.00 45.42 H new ATOM 0 HA GLU A 109 14.127 -2.732 -24.117 1.00 14.13 H new ATOM 0 HB2 GLU A 109 12.119 -4.199 -23.786 1.00 15.44 H new ATOM 0 HB3 GLU A 109 12.468 -4.988 -25.311 1.00 15.44 H new ATOM 0 HG2 GLU A 109 14.609 -5.806 -24.449 1.00 21.13 H new ATOM 0 HG3 GLU A 109 14.379 -4.924 -22.952 1.00 21.13 H new ATOM 1640 N ASN A 110 15.944 -3.337 -25.667 1.00 40.22 N ATOM 1641 CA ASN A 110 17.044 -3.636 -26.576 1.00 12.52 C ATOM 1642 C ASN A 110 16.948 -2.793 -27.844 1.00 14.11 C ATOM 1643 O ASN A 110 17.497 -3.153 -28.884 1.00 14.41 O ATOM 1644 CB ASN A 110 17.044 -5.123 -26.937 1.00 53.45 C ATOM 1645 CG ASN A 110 18.240 -5.857 -26.364 1.00 14.25 C ATOM 1646 OD1 ASN A 110 19.379 -5.407 -26.492 1.00 53.03 O ATOM 1647 ND2 ASN A 110 17.987 -6.994 -25.726 1.00 13.04 N ATOM 0 H ASN A 110 16.232 -2.937 -24.774 1.00 40.22 H new ATOM 0 HA ASN A 110 17.978 -3.391 -26.069 1.00 12.52 H new ATOM 0 HB2 ASN A 110 16.128 -5.584 -26.568 1.00 53.45 H new ATOM 0 HB3 ASN A 110 17.041 -5.231 -28.022 1.00 53.45 H new ATOM 0 HD21 ASN A 110 18.752 -7.531 -25.318 1.00 13.04 H new ATOM 0 HD22 ASN A 110 17.027 -7.330 -25.644 1.00 13.04 H new ATOM 1654 N ALA A 111 16.247 -1.667 -27.748 1.00 11.53 N ATOM 1655 CA ALA A 111 16.081 -0.772 -28.886 1.00 33.33 C ATOM 1656 C ALA A 111 17.417 -0.171 -29.311 1.00 12.12 C ATOM 1657 O ALA A 111 18.193 0.294 -28.477 1.00 32.25 O ATOM 1658 CB ALA A 111 15.088 0.330 -28.549 1.00 12.32 C ATOM 0 H ALA A 111 15.786 -1.354 -26.894 1.00 11.53 H new ATOM 0 HA ALA A 111 15.692 -1.354 -29.721 1.00 33.33 H new ATOM 0 HB1 ALA A 111 14.973 0.992 -29.408 1.00 12.32 H new ATOM 0 HB2 ALA A 111 14.123 -0.113 -28.301 1.00 12.32 H new ATOM 0 HB3 ALA A 111 15.455 0.902 -27.697 1.00 12.32 H new ATOM 1664 N VAL A 112 17.679 -0.185 -30.614 1.00 73.01 N ATOM 1665 CA VAL A 112 18.921 0.359 -31.150 1.00 70.21 C ATOM 1666 C VAL A 112 18.680 1.692 -31.851 1.00 23.10 C ATOM 1667 O VAL A 112 17.935 1.766 -32.828 1.00 15.11 O ATOM 1668 CB VAL A 112 19.578 -0.619 -32.143 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.937 -0.096 -32.584 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.706 -2.001 -31.522 1.00 42.04 C ATOM 0 H VAL A 112 17.048 -0.567 -31.318 1.00 73.01 H new ATOM 0 HA VAL A 112 19.591 0.513 -30.304 1.00 70.21 H new ATOM 0 HB VAL A 112 18.942 -0.699 -33.024 1.00 32.45 H new ATOM 0 HG11 VAL A 112 21.387 -0.799 -33.285 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.814 0.872 -33.069 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.584 0.014 -31.714 1.00 55.14 H new ATOM 0 HG21 VAL A 112 20.172 -2.679 -32.237 1.00 42.04 H new ATOM 0 HG22 VAL A 112 20.321 -1.941 -30.624 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.716 -2.375 -31.259 1.00 42.04 H new ATOM 1680 N PHE A 113 19.316 2.742 -31.345 1.00 22.12 N ATOM 1681 CA PHE A 113 19.171 4.074 -31.920 1.00 61.43 C ATOM 1682 C PHE A 113 20.455 4.506 -32.623 1.00 43.11 C ATOM 1683 O PHE A 113 21.431 4.892 -31.978 1.00 11.30 O ATOM 1684 CB PHE A 113 18.807 5.087 -30.833 1.00 14.33 C ATOM 1685 CG PHE A 113 17.609 4.687 -30.020 1.00 71.43 C ATOM 1686 CD1 PHE A 113 17.737 3.797 -28.966 1.00 12.52 C ATOM 1687 CD2 PHE A 113 16.355 5.201 -30.309 1.00 14.45 C ATOM 1688 CE1 PHE A 113 16.636 3.428 -28.214 1.00 3.02 C ATOM 1689 CE2 PHE A 113 15.252 4.836 -29.561 1.00 40.02 C ATOM 1690 CZ PHE A 113 15.393 3.948 -28.513 1.00 54.32 C ATOM 0 H PHE A 113 19.937 2.697 -30.537 1.00 22.12 H new ATOM 0 HA PHE A 113 18.368 4.038 -32.656 1.00 61.43 H new ATOM 0 HB2 PHE A 113 19.661 5.217 -30.168 1.00 14.33 H new ATOM 0 HB3 PHE A 113 18.615 6.054 -31.298 1.00 14.33 H new ATOM 0 HD1 PHE A 113 18.707 3.387 -28.729 1.00 12.52 H new ATOM 0 HD2 PHE A 113 16.238 5.895 -31.128 1.00 14.45 H new ATOM 0 HE1 PHE A 113 16.749 2.734 -27.394 1.00 3.02 H new ATOM 0 HE2 PHE A 113 14.280 5.245 -29.796 1.00 40.02 H new ATOM 0 HZ PHE A 113 14.532 3.661 -27.928 1.00 54.32 H new ATOM 1700 N THR A 114 20.449 4.435 -33.950 1.00 30.22 N ATOM 1701 CA THR A 114 21.612 4.817 -34.742 1.00 45.33 C ATOM 1702 C THR A 114 21.504 6.261 -35.218 1.00 52.03 C ATOM 1703 O THR A 114 20.516 6.647 -35.844 1.00 43.22 O ATOM 1704 CB THR A 114 21.786 3.897 -35.964 1.00 73.24 C ATOM 1705 OG1 THR A 114 22.067 2.559 -35.534 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.910 4.393 -36.861 1.00 73.44 C ATOM 0 H THR A 114 19.651 4.116 -34.500 1.00 30.22 H new ATOM 0 HA THR A 114 22.482 4.716 -34.094 1.00 45.33 H new ATOM 0 HB THR A 114 20.857 3.908 -36.534 1.00 73.24 H new ATOM 0 HG1 THR A 114 22.346 2.020 -36.303 1.00 32.32 H new ATOM 0 HG21 THR A 114 23.013 3.726 -37.717 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.679 5.399 -37.210 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.844 4.409 -36.299 1.00 73.44 H new ATOM 1714 N VAL A 115 22.526 7.055 -34.920 1.00 21.22 N ATOM 1715 CA VAL A 115 22.546 8.458 -35.321 1.00 72.13 C ATOM 1716 C VAL A 115 23.411 8.664 -36.560 1.00 32.00 C ATOM 1717 O VAL A 115 24.533 8.165 -36.654 1.00 71.13 O ATOM 1718 CB VAL A 115 23.072 9.358 -34.186 1.00 34.51 C ATOM 1719 CG1 VAL A 115 23.063 10.817 -34.615 1.00 32.02 C ATOM 1720 CG2 VAL A 115 22.247 9.160 -32.924 1.00 0.35 C ATOM 0 H VAL A 115 23.351 6.752 -34.403 1.00 21.22 H new ATOM 0 HA VAL A 115 21.517 8.737 -35.550 1.00 72.13 H new ATOM 0 HB VAL A 115 24.102 9.074 -33.968 1.00 34.51 H new ATOM 0 HG11 VAL A 115 23.438 11.438 -33.801 1.00 32.02 H new ATOM 0 HG12 VAL A 115 23.700 10.943 -35.490 1.00 32.02 H new ATOM 0 HG13 VAL A 115 22.045 11.118 -34.861 1.00 32.02 H new ATOM 0 HG21 VAL A 115 22.632 9.803 -32.133 1.00 0.35 H new ATOM 0 HG22 VAL A 115 21.207 9.416 -33.125 1.00 0.35 H new ATOM 0 HG23 VAL A 115 22.310 8.119 -32.608 1.00 0.35 H new ATOM 1730 N PRO A 116 22.879 9.416 -37.534 1.00 23.44 N ATOM 1731 CA PRO A 116 23.585 9.706 -38.786 1.00 12.20 C ATOM 1732 C PRO A 116 24.772 10.640 -38.578 1.00 62.14 C ATOM 1733 O PRO A 116 25.859 10.403 -39.105 1.00 15.32 O ATOM 1734 CB PRO A 116 22.517 10.382 -39.647 1.00 2.12 C ATOM 1735 CG PRO A 116 21.560 10.973 -38.670 1.00 24.01 C ATOM 1736 CD PRO A 116 21.546 10.042 -37.489 1.00 65.44 C ATOM 0 HA PRO A 116 24.006 8.806 -39.235 1.00 12.20 H new ATOM 0 HB2 PRO A 116 22.952 11.149 -40.288 1.00 2.12 H new ATOM 0 HB3 PRO A 116 22.022 9.663 -40.300 1.00 2.12 H new ATOM 0 HG2 PRO A 116 21.873 11.974 -38.374 1.00 24.01 H new ATOM 0 HG3 PRO A 116 20.565 11.066 -39.106 1.00 24.01 H new ATOM 0 HD2 PRO A 116 21.386 10.580 -36.555 1.00 65.44 H new ATOM 0 HD3 PRO A 116 20.751 9.301 -37.571 1.00 65.44 H new ATOM 1744 N ARG A 117 24.557 11.700 -37.806 1.00 4.04 N ATOM 1745 CA ARG A 117 25.610 12.670 -37.530 1.00 23.33 C ATOM 1746 C ARG A 117 25.732 12.927 -36.031 1.00 72.14 C ATOM 1747 O ARG A 117 24.740 13.191 -35.353 1.00 53.20 O ATOM 1748 CB ARG A 117 25.328 13.984 -38.261 1.00 24.40 C ATOM 1749 CG ARG A 117 26.459 14.994 -38.160 1.00 3.30 C ATOM 1750 CD ARG A 117 27.259 15.064 -39.451 1.00 34.14 C ATOM 1751 NE ARG A 117 28.290 16.097 -39.400 1.00 31.52 N ATOM 1752 CZ ARG A 117 28.885 16.597 -40.478 1.00 33.23 C ATOM 1753 NH1 ARG A 117 28.552 16.160 -41.685 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 29.814 17.535 -40.350 1.00 55.12 N ATOM 0 H ARG A 117 23.663 11.909 -37.361 1.00 4.04 H new ATOM 0 HA ARG A 117 26.553 12.257 -37.890 1.00 23.33 H new ATOM 0 HB2 ARG A 117 25.136 13.771 -39.313 1.00 24.40 H new ATOM 0 HB3 ARG A 117 24.419 14.428 -37.855 1.00 24.40 H new ATOM 0 HG2 ARG A 117 26.050 15.978 -37.930 1.00 3.30 H new ATOM 0 HG3 ARG A 117 27.119 14.722 -37.336 1.00 3.30 H new ATOM 0 HD2 ARG A 117 27.724 14.097 -39.642 1.00 34.14 H new ATOM 0 HD3 ARG A 117 26.586 15.265 -40.284 1.00 34.14 H new ATOM 0 HE ARG A 117 28.569 16.455 -38.486 1.00 31.52 H new ATOM 0 HH11 ARG A 117 27.838 15.439 -41.787 1.00 32.32 H new ATOM 0 HH12 ARG A 117 29.010 16.545 -42.511 1.00 32.32 H new ATOM 0 HH21 ARG A 117 30.073 17.874 -39.423 1.00 55.12 H new ATOM 0 HH22 ARG A 117 30.270 17.918 -41.178 1.00 55.12 H new