USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 CYS SG : rot -160:sc= 0.474 USER MOD Set 1.2: A 100 CYS SG : rot 32:sc= 0.637 USER MOD Set 2.1: A 17 GLN : amide:sc= -1.3 K(o=-1.3,f=-3!) USER MOD Set 2.2: A 35 CYS SG : rot 39:sc= -0.0427 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -77:sc= 1.86 USER MOD Single : A 25 MET CE :methyl -128:sc= -0.567 (180deg=-1.96!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -88:sc= -1.14 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0484 X(o=-0.048,f=-0.23) USER MOD Single : A 45 LYS NZ :NH3+ -119:sc= -0.198 (180deg=-1.65!) USER MOD Single : A 46 ASN : amide:sc= -2.56 K(o=-2.6,f=-3.3) USER MOD Single : A 64 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.44) USER MOD Single : A 72 TYR OH : rot -71:sc= -0.645 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 51:sc= 0.0767 USER MOD Single : A 88 GLN : amide:sc= -0.905 K(o=-0.91,f=-1.4) 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 -39:sc= 0.00306 USER MOD Single : A 101 GLN : amide:sc= -0.078 X(o=-0.078,f=-0.55) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.383 X(o=-0.38,f=-0.45) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 153 N ARG A 13 2.253 4.090 -15.901 1.00 62.40 N ATOM 154 CA ARG A 13 3.529 4.686 -15.522 1.00 13.43 C ATOM 155 C ARG A 13 4.691 3.941 -16.171 1.00 51.13 C ATOM 156 O ARG A 13 5.788 3.874 -15.613 1.00 65.25 O ATOM 157 CB ARG A 13 3.688 4.676 -14.000 1.00 71.33 C ATOM 158 CG ARG A 13 4.677 5.709 -13.485 1.00 64.41 C ATOM 159 CD ARG A 13 4.121 7.120 -13.601 1.00 64.44 C ATOM 160 NE ARG A 13 3.041 7.362 -12.648 1.00 53.53 N ATOM 161 CZ ARG A 13 3.243 7.658 -11.369 1.00 72.45 C ATOM 162 NH1 ARG A 13 4.477 7.747 -10.892 1.00 1.02 N1+ ATOM 163 NH2 ARG A 13 2.209 7.865 -10.564 1.00 74.21 N ATOM 0 HA ARG A 13 3.539 5.717 -15.875 1.00 13.43 H new ATOM 0 HB2 ARG A 13 2.716 4.855 -13.540 1.00 71.33 H new ATOM 0 HB3 ARG A 13 4.013 3.685 -13.683 1.00 71.33 H new ATOM 0 HG2 ARG A 13 4.918 5.496 -12.443 1.00 64.41 H new ATOM 0 HG3 ARG A 13 5.607 5.636 -14.048 1.00 64.41 H new ATOM 0 HD2 ARG A 13 4.922 7.840 -13.432 1.00 64.44 H new ATOM 0 HD3 ARG A 13 3.754 7.283 -14.614 1.00 64.44 H new ATOM 0 HE ARG A 13 2.079 7.300 -12.983 1.00 53.53 H new ATOM 0 HH11 ARG A 13 5.274 7.588 -11.508 1.00 1.02 H new ATOM 0 HH12 ARG A 13 4.629 7.975 -9.909 1.00 1.02 H new ATOM 0 HH21 ARG A 13 1.258 7.797 -10.927 1.00 74.21 H new ATOM 0 HH22 ARG A 13 2.365 8.092 -9.582 1.00 74.21 H new ATOM 177 N ILE A 14 4.445 3.383 -17.352 1.00 31.23 N ATOM 178 CA ILE A 14 5.471 2.644 -18.076 1.00 21.45 C ATOM 179 C ILE A 14 5.888 1.391 -17.313 1.00 33.43 C ATOM 180 O ILE A 14 5.874 1.350 -16.083 1.00 4.22 O ATOM 181 CB ILE A 14 6.717 3.515 -18.332 1.00 63.41 C ATOM 182 CG1 ILE A 14 6.899 3.754 -19.833 1.00 40.21 C ATOM 183 CG2 ILE A 14 7.954 2.855 -17.742 1.00 71.10 C ATOM 184 CD1 ILE A 14 7.460 5.120 -20.162 1.00 72.40 C ATOM 0 H ILE A 14 3.544 3.429 -17.827 1.00 31.23 H new ATOM 0 HA ILE A 14 5.036 2.355 -19.033 1.00 21.45 H new ATOM 0 HB ILE A 14 6.575 4.479 -17.844 1.00 63.41 H new ATOM 0 HG12 ILE A 14 7.563 2.990 -20.237 1.00 40.21 H new ATOM 0 HG13 ILE A 14 5.937 3.635 -20.331 1.00 40.21 H new ATOM 0 HG21 ILE A 14 8.826 3.482 -17.931 1.00 71.10 H new ATOM 0 HG22 ILE A 14 7.822 2.731 -16.667 1.00 71.10 H new ATOM 0 HG23 ILE A 14 8.102 1.879 -18.205 1.00 71.10 H new ATOM 0 HD11 ILE A 14 7.563 5.221 -21.242 1.00 72.40 H new ATOM 0 HD12 ILE A 14 6.785 5.890 -19.788 1.00 72.40 H new ATOM 0 HD13 ILE A 14 8.437 5.235 -19.692 1.00 72.40 H new ATOM 196 N PRO A 15 6.271 0.345 -18.060 1.00 52.44 N ATOM 197 CA PRO A 15 6.702 -0.928 -17.476 1.00 71.33 C ATOM 198 C PRO A 15 8.048 -0.816 -16.768 1.00 44.54 C ATOM 199 O PRO A 15 8.567 0.284 -16.575 1.00 21.35 O ATOM 200 CB PRO A 15 6.812 -1.856 -18.688 1.00 32.33 C ATOM 201 CG PRO A 15 7.057 -0.945 -19.841 1.00 35.51 C ATOM 202 CD PRO A 15 6.313 0.324 -19.531 1.00 52.11 C ATOM 0 HA PRO A 15 6.008 -1.281 -16.713 1.00 71.33 H new ATOM 0 HB2 PRO A 15 7.627 -2.570 -18.567 1.00 32.33 H new ATOM 0 HB3 PRO A 15 5.899 -2.435 -18.828 1.00 32.33 H new ATOM 0 HG2 PRO A 15 8.122 -0.752 -19.966 1.00 35.51 H new ATOM 0 HG3 PRO A 15 6.702 -1.388 -20.771 1.00 35.51 H new ATOM 0 HD2 PRO A 15 6.826 1.198 -19.931 1.00 52.11 H new ATOM 0 HD3 PRO A 15 5.312 0.318 -19.961 1.00 52.11 H new ATOM 210 N GLU A 16 8.608 -1.958 -16.385 1.00 24.10 N ATOM 211 CA GLU A 16 9.894 -1.986 -15.698 1.00 63.23 C ATOM 212 C GLU A 16 10.958 -1.250 -16.506 1.00 23.52 C ATOM 213 O GLU A 16 10.830 -1.091 -17.720 1.00 3.13 O ATOM 214 CB GLU A 16 10.335 -3.430 -15.451 1.00 12.45 C ATOM 215 CG GLU A 16 9.304 -4.261 -14.706 1.00 54.23 C ATOM 216 CD GLU A 16 9.867 -5.580 -14.209 1.00 62.22 C ATOM 217 OE1 GLU A 16 11.100 -5.668 -14.030 1.00 73.31 O ATOM 218 OE2 GLU A 16 9.074 -6.522 -13.999 1.00 11.13 O1- ATOM 0 H GLU A 16 8.192 -2.876 -16.539 1.00 24.10 H new ATOM 0 HA GLU A 16 9.775 -1.481 -14.739 1.00 63.23 H new ATOM 0 HB2 GLU A 16 10.549 -3.905 -16.409 1.00 12.45 H new ATOM 0 HB3 GLU A 16 11.265 -3.425 -14.883 1.00 12.45 H new ATOM 0 HG2 GLU A 16 8.925 -3.689 -13.859 1.00 54.23 H new ATOM 0 HG3 GLU A 16 8.456 -4.456 -15.363 1.00 54.23 H new ATOM 225 N GLN A 17 12.007 -0.802 -15.824 1.00 15.32 N ATOM 226 CA GLN A 17 13.093 -0.081 -16.478 1.00 43.30 C ATOM 227 C GLN A 17 13.954 -1.030 -17.307 1.00 14.04 C ATOM 228 O GLN A 17 14.340 -2.102 -16.840 1.00 32.12 O ATOM 229 CB GLN A 17 13.957 0.634 -15.438 1.00 2.54 C ATOM 230 CG GLN A 17 13.152 1.344 -14.363 1.00 15.05 C ATOM 231 CD GLN A 17 13.999 2.274 -13.517 1.00 5.52 C ATOM 232 OE1 GLN A 17 15.154 2.548 -13.843 1.00 25.01 O ATOM 233 NE2 GLN A 17 13.429 2.765 -12.423 1.00 30.14 N ATOM 0 H GLN A 17 12.128 -0.926 -14.819 1.00 15.32 H new ATOM 0 HA GLN A 17 12.654 0.660 -17.146 1.00 43.30 H new ATOM 0 HB2 GLN A 17 14.618 -0.093 -14.965 1.00 2.54 H new ATOM 0 HB3 GLN A 17 14.593 1.361 -15.944 1.00 2.54 H new ATOM 0 HG2 GLN A 17 12.351 1.915 -14.832 1.00 15.05 H new ATOM 0 HG3 GLN A 17 12.680 0.602 -13.719 1.00 15.05 H new ATOM 0 HE21 GLN A 17 12.469 2.511 -12.191 1.00 30.14 H new ATOM 0 HE22 GLN A 17 13.951 3.396 -11.815 1.00 30.14 H new ATOM 242 N ILE A 18 14.251 -0.627 -18.538 1.00 24.21 N ATOM 243 CA ILE A 18 15.066 -1.441 -19.430 1.00 45.03 C ATOM 244 C ILE A 18 16.281 -0.663 -19.927 1.00 53.13 C ATOM 245 O ILE A 18 16.444 0.517 -19.617 1.00 34.14 O ATOM 246 CB ILE A 18 14.254 -1.932 -20.644 1.00 12.34 C ATOM 247 CG1 ILE A 18 13.745 -0.742 -21.460 1.00 64.44 C ATOM 248 CG2 ILE A 18 13.094 -2.803 -20.187 1.00 30.13 C ATOM 249 CD1 ILE A 18 14.667 -0.348 -22.593 1.00 51.52 C ATOM 0 H ILE A 18 13.940 0.257 -18.940 1.00 24.21 H new ATOM 0 HA ILE A 18 15.400 -2.304 -18.853 1.00 45.03 H new ATOM 0 HB ILE A 18 14.905 -2.532 -21.280 1.00 12.34 H new ATOM 0 HG12 ILE A 18 12.764 -0.985 -21.868 1.00 64.44 H new ATOM 0 HG13 ILE A 18 13.612 0.113 -20.797 1.00 64.44 H new ATOM 0 HG21 ILE A 18 12.530 -3.142 -21.056 1.00 30.13 H new ATOM 0 HG22 ILE A 18 13.479 -3.666 -19.644 1.00 30.13 H new ATOM 0 HG23 ILE A 18 12.441 -2.225 -19.533 1.00 30.13 H new ATOM 0 HD11 ILE A 18 14.243 0.502 -23.128 1.00 51.52 H new ATOM 0 HD12 ILE A 18 15.642 -0.074 -22.190 1.00 51.52 H new ATOM 0 HD13 ILE A 18 14.781 -1.188 -23.278 1.00 51.52 H new ATOM 261 N ARG A 19 17.130 -1.333 -20.701 1.00 71.23 N ATOM 262 CA ARG A 19 18.329 -0.704 -21.241 1.00 75.34 C ATOM 263 C ARG A 19 18.246 -0.591 -22.761 1.00 62.41 C ATOM 264 O ARG A 19 17.759 -1.499 -23.435 1.00 51.13 O ATOM 265 CB ARG A 19 19.571 -1.504 -20.846 1.00 70.32 C ATOM 266 CG ARG A 19 20.841 -1.041 -21.543 1.00 12.13 C ATOM 267 CD ARG A 19 22.036 -1.893 -21.146 1.00 72.31 C ATOM 268 NE ARG A 19 22.629 -1.453 -19.887 1.00 22.42 N ATOM 269 CZ ARG A 19 23.477 -0.435 -19.790 1.00 11.21 C ATOM 270 NH1 ARG A 19 23.829 0.245 -20.873 1.00 43.31 N1+ ATOM 271 NH2 ARG A 19 23.974 -0.093 -18.608 1.00 23.13 N ATOM 0 H ARG A 19 17.009 -2.310 -20.967 1.00 71.23 H new ATOM 0 HA ARG A 19 18.403 0.300 -20.823 1.00 75.34 H new ATOM 0 HB2 ARG A 19 19.712 -1.432 -19.768 1.00 70.32 H new ATOM 0 HB3 ARG A 19 19.403 -2.556 -21.076 1.00 70.32 H new ATOM 0 HG2 ARG A 19 20.702 -1.088 -22.623 1.00 12.13 H new ATOM 0 HG3 ARG A 19 21.036 0.001 -21.291 1.00 12.13 H new ATOM 0 HD2 ARG A 19 21.725 -2.934 -21.056 1.00 72.31 H new ATOM 0 HD3 ARG A 19 22.788 -1.852 -21.934 1.00 72.31 H new ATOM 0 HE ARG A 19 22.379 -1.955 -19.035 1.00 22.42 H new ATOM 0 HH11 ARG A 19 23.448 -0.013 -21.783 1.00 43.31 H new ATOM 0 HH12 ARG A 19 24.480 1.026 -20.795 1.00 43.31 H new ATOM 0 HH21 ARG A 19 23.705 -0.612 -17.772 1.00 23.13 H new ATOM 0 HH22 ARG A 19 24.625 0.689 -18.535 1.00 23.13 H new ATOM 285 N ILE A 20 18.724 0.529 -23.293 1.00 35.55 N ATOM 286 CA ILE A 20 18.704 0.760 -24.731 1.00 64.45 C ATOM 287 C ILE A 20 20.119 0.830 -25.297 1.00 32.03 C ATOM 288 O ILE A 20 21.099 0.788 -24.552 1.00 53.21 O ATOM 289 CB ILE A 20 17.959 2.062 -25.082 1.00 75.13 C ATOM 290 CG1 ILE A 20 18.527 3.233 -24.279 1.00 15.54 C ATOM 291 CG2 ILE A 20 16.468 1.906 -24.819 1.00 21.23 C ATOM 292 CD1 ILE A 20 18.049 4.584 -24.761 1.00 21.13 C ATOM 0 H ILE A 20 19.130 1.290 -22.749 1.00 35.55 H new ATOM 0 HA ILE A 20 18.177 -0.083 -25.178 1.00 64.45 H new ATOM 0 HB ILE A 20 18.102 2.270 -26.142 1.00 75.13 H new ATOM 0 HG12 ILE A 20 18.252 3.112 -23.231 1.00 15.54 H new ATOM 0 HG13 ILE A 20 19.615 3.203 -24.328 1.00 15.54 H new ATOM 0 HG21 ILE A 20 15.955 2.834 -25.072 1.00 21.23 H new ATOM 0 HG22 ILE A 20 16.073 1.095 -25.431 1.00 21.23 H new ATOM 0 HG23 ILE A 20 16.306 1.677 -23.766 1.00 21.23 H new ATOM 0 HD11 ILE A 20 18.492 5.367 -24.146 1.00 21.13 H new ATOM 0 HD12 ILE A 20 18.347 4.726 -25.800 1.00 21.13 H new ATOM 0 HD13 ILE A 20 16.963 4.634 -24.685 1.00 21.13 H new ATOM 304 N PHE A 21 20.218 0.937 -26.617 1.00 73.53 N ATOM 305 CA PHE A 21 21.512 1.013 -27.283 1.00 64.54 C ATOM 306 C PHE A 21 21.530 2.141 -28.311 1.00 32.43 C ATOM 307 O PHE A 21 20.665 2.213 -29.184 1.00 22.23 O ATOM 308 CB PHE A 21 21.839 -0.318 -27.964 1.00 22.21 C ATOM 309 CG PHE A 21 22.195 -1.413 -27.000 1.00 75.22 C ATOM 310 CD1 PHE A 21 21.243 -1.933 -26.139 1.00 21.22 C ATOM 311 CD2 PHE A 21 23.483 -1.921 -26.954 1.00 14.32 C ATOM 312 CE1 PHE A 21 21.566 -2.941 -25.250 1.00 63.25 C ATOM 313 CE2 PHE A 21 23.813 -2.929 -26.068 1.00 44.12 C ATOM 314 CZ PHE A 21 22.855 -3.440 -25.214 1.00 20.14 C ATOM 0 H PHE A 21 19.417 0.973 -27.247 1.00 73.53 H new ATOM 0 HA PHE A 21 22.269 1.222 -26.527 1.00 64.54 H new ATOM 0 HB2 PHE A 21 20.982 -0.633 -28.559 1.00 22.21 H new ATOM 0 HB3 PHE A 21 22.669 -0.169 -28.655 1.00 22.21 H new ATOM 0 HD1 PHE A 21 20.235 -1.546 -26.162 1.00 21.22 H new ATOM 0 HD2 PHE A 21 24.237 -1.525 -27.618 1.00 14.32 H new ATOM 0 HE1 PHE A 21 20.813 -3.338 -24.585 1.00 63.25 H new ATOM 0 HE2 PHE A 21 24.820 -3.317 -26.043 1.00 44.12 H new ATOM 0 HZ PHE A 21 23.112 -4.227 -24.520 1.00 20.14 H new ATOM 324 N PHE A 22 22.521 3.018 -28.201 1.00 34.14 N ATOM 325 CA PHE A 22 22.652 4.144 -29.119 1.00 71.33 C ATOM 326 C PHE A 22 23.838 3.945 -30.058 1.00 24.13 C ATOM 327 O PHE A 22 24.991 4.130 -29.669 1.00 42.03 O ATOM 328 CB PHE A 22 22.818 5.449 -28.339 1.00 34.11 C ATOM 329 CG PHE A 22 21.520 6.024 -27.846 1.00 21.32 C ATOM 330 CD1 PHE A 22 21.281 6.167 -26.489 1.00 55.45 C ATOM 331 CD2 PHE A 22 20.539 6.419 -28.741 1.00 11.41 C ATOM 332 CE1 PHE A 22 20.088 6.695 -26.032 1.00 43.04 C ATOM 333 CE2 PHE A 22 19.343 6.948 -28.291 1.00 34.04 C ATOM 334 CZ PHE A 22 19.117 7.084 -26.935 1.00 31.31 C ATOM 0 H PHE A 22 23.246 2.971 -27.485 1.00 34.14 H new ATOM 0 HA PHE A 22 21.743 4.200 -29.717 1.00 71.33 H new ATOM 0 HB2 PHE A 22 23.474 5.272 -27.487 1.00 34.11 H new ATOM 0 HB3 PHE A 22 23.312 6.183 -28.976 1.00 34.11 H new ATOM 0 HD1 PHE A 22 22.036 5.862 -25.779 1.00 55.45 H new ATOM 0 HD2 PHE A 22 20.710 6.313 -29.802 1.00 11.41 H new ATOM 0 HE1 PHE A 22 19.915 6.803 -24.971 1.00 43.04 H new ATOM 0 HE2 PHE A 22 18.587 7.254 -28.999 1.00 34.04 H new ATOM 0 HZ PHE A 22 18.183 7.494 -26.581 1.00 31.31 H new ATOM 344 N LYS A 23 23.546 3.567 -31.298 1.00 30.42 N ATOM 345 CA LYS A 23 24.587 3.343 -32.294 1.00 1.30 C ATOM 346 C LYS A 23 24.913 4.633 -33.040 1.00 12.33 C ATOM 347 O LYS A 23 24.016 5.342 -33.496 1.00 50.24 O ATOM 348 CB LYS A 23 24.146 2.265 -33.288 1.00 51.30 C ATOM 349 CG LYS A 23 25.212 1.218 -33.561 1.00 73.32 C ATOM 350 CD LYS A 23 25.976 1.519 -34.839 1.00 53.34 C ATOM 351 CE LYS A 23 25.313 0.877 -36.049 1.00 11.44 C ATOM 352 NZ LYS A 23 26.058 -0.325 -36.516 1.00 75.34 N1+ ATOM 0 H LYS A 23 22.597 3.409 -31.637 1.00 30.42 H new ATOM 0 HA LYS A 23 25.485 3.007 -31.776 1.00 1.30 H new ATOM 0 HB2 LYS A 23 23.253 1.771 -32.904 1.00 51.30 H new ATOM 0 HB3 LYS A 23 23.867 2.741 -34.228 1.00 51.30 H new ATOM 0 HG2 LYS A 23 25.907 1.178 -32.722 1.00 73.32 H new ATOM 0 HG3 LYS A 23 24.747 0.235 -33.637 1.00 73.32 H new ATOM 0 HD2 LYS A 23 26.034 2.598 -34.984 1.00 53.34 H new ATOM 0 HD3 LYS A 23 26.999 1.154 -34.747 1.00 53.34 H new ATOM 0 HE2 LYS A 23 24.291 0.595 -35.796 1.00 11.44 H new ATOM 0 HE3 LYS A 23 25.252 1.604 -36.859 1.00 11.44 H new ATOM 0 HZ1 LYS A 23 25.575 -0.734 -37.341 1.00 75.34 H new ATOM 0 HZ2 LYS A 23 27.026 -0.052 -36.781 1.00 75.34 H new ATOM 0 HZ3 LYS A 23 26.094 -1.030 -35.752 1.00 75.34 H new ATOM 366 N THR A 24 26.203 4.931 -33.160 1.00 1.24 N ATOM 367 CA THR A 24 26.647 6.136 -33.850 1.00 41.43 C ATOM 368 C THR A 24 27.441 5.790 -35.105 1.00 55.05 C ATOM 369 O THR A 24 27.695 4.618 -35.387 1.00 23.40 O ATOM 370 CB THR A 24 27.514 7.020 -32.935 1.00 24.11 C ATOM 371 OG1 THR A 24 28.812 6.435 -32.776 1.00 65.51 O ATOM 372 CG2 THR A 24 26.861 7.193 -31.573 1.00 50.11 C ATOM 0 H THR A 24 26.958 4.355 -32.789 1.00 1.24 H new ATOM 0 HA THR A 24 25.750 6.688 -34.132 1.00 41.43 H new ATOM 0 HB THR A 24 27.612 8.001 -33.401 1.00 24.11 H new ATOM 0 HG1 THR A 24 28.758 5.684 -32.149 1.00 65.51 H new ATOM 0 HG21 THR A 24 27.492 7.821 -30.944 1.00 50.11 H new ATOM 0 HG22 THR A 24 25.886 7.664 -31.694 1.00 50.11 H new ATOM 0 HG23 THR A 24 26.737 6.218 -31.103 1.00 50.11 H new ATOM 380 N MET A 25 27.831 6.814 -35.855 1.00 73.10 N ATOM 381 CA MET A 25 28.599 6.618 -37.079 1.00 52.45 C ATOM 382 C MET A 25 30.051 6.278 -36.762 1.00 2.30 C ATOM 383 O MET A 25 30.827 5.929 -37.651 1.00 33.11 O ATOM 384 CB MET A 25 28.535 7.872 -37.954 1.00 30.23 C ATOM 385 CG MET A 25 28.956 7.629 -39.394 1.00 63.33 C ATOM 386 SD MET A 25 27.774 6.614 -40.302 1.00 45.42 S ATOM 387 CE MET A 25 28.521 4.993 -40.132 1.00 4.22 C ATOM 0 H MET A 25 27.628 7.789 -35.637 1.00 73.10 H new ATOM 0 HA MET A 25 28.160 5.782 -37.623 1.00 52.45 H new ATOM 0 HB2 MET A 25 27.517 8.262 -37.942 1.00 30.23 H new ATOM 0 HB3 MET A 25 29.176 8.640 -37.521 1.00 30.23 H new ATOM 0 HG2 MET A 25 29.071 8.587 -39.901 1.00 63.33 H new ATOM 0 HG3 MET A 25 29.931 7.142 -39.406 1.00 63.33 H new ATOM 0 HE1 MET A 25 28.619 4.533 -41.115 1.00 4.22 H new ATOM 0 HE2 MET A 25 29.507 5.092 -39.678 1.00 4.22 H new ATOM 0 HE3 MET A 25 27.892 4.367 -39.500 1.00 4.22 H new ATOM 397 N LYS A 26 30.413 6.384 -35.487 1.00 24.12 N ATOM 398 CA LYS A 26 31.774 6.088 -35.051 1.00 45.31 C ATOM 399 C LYS A 26 31.840 4.727 -34.366 1.00 52.32 C ATOM 400 O LYS A 26 32.808 3.985 -34.535 1.00 42.42 O ATOM 401 CB LYS A 26 32.273 7.176 -34.097 1.00 13.34 C ATOM 402 CG LYS A 26 33.758 7.079 -33.788 1.00 61.12 C ATOM 403 CD LYS A 26 34.384 8.453 -33.623 1.00 13.14 C ATOM 404 CE LYS A 26 35.893 8.363 -33.468 1.00 42.23 C ATOM 405 NZ LYS A 26 36.468 9.609 -32.891 1.00 4.53 N1+ ATOM 0 H LYS A 26 29.784 6.672 -34.738 1.00 24.12 H new ATOM 0 HA LYS A 26 32.415 6.064 -35.932 1.00 45.31 H new ATOM 0 HB2 LYS A 26 32.064 8.153 -34.532 1.00 13.34 H new ATOM 0 HB3 LYS A 26 31.712 7.116 -33.165 1.00 13.34 H new ATOM 0 HG2 LYS A 26 33.904 6.500 -32.876 1.00 61.12 H new ATOM 0 HG3 LYS A 26 34.263 6.542 -34.591 1.00 61.12 H new ATOM 0 HD2 LYS A 26 34.142 9.070 -34.488 1.00 13.14 H new ATOM 0 HD3 LYS A 26 33.956 8.946 -32.750 1.00 13.14 H new ATOM 0 HE2 LYS A 26 36.142 7.518 -32.827 1.00 42.23 H new ATOM 0 HE3 LYS A 26 36.347 8.170 -34.440 1.00 42.23 H new ATOM 0 HZ1 LYS A 26 37.499 9.507 -32.802 1.00 4.53 H new ATOM 0 HZ2 LYS A 26 36.253 10.412 -33.515 1.00 4.53 H new ATOM 0 HZ3 LYS A 26 36.054 9.780 -31.952 1.00 4.53 H new ATOM 419 N GLN A 27 30.806 4.405 -33.596 1.00 23.51 N ATOM 420 CA GLN A 27 30.748 3.132 -32.887 1.00 54.41 C ATOM 421 C GLN A 27 29.467 3.022 -32.067 1.00 32.12 C ATOM 422 O GLN A 27 28.673 3.961 -32.010 1.00 31.42 O ATOM 423 CB GLN A 27 31.966 2.977 -31.975 1.00 35.15 C ATOM 424 CG GLN A 27 32.276 4.219 -31.156 1.00 31.13 C ATOM 425 CD GLN A 27 33.250 3.947 -30.027 1.00 41.01 C ATOM 426 OE1 GLN A 27 34.149 3.115 -30.155 1.00 14.54 O ATOM 427 NE2 GLN A 27 33.077 4.649 -28.914 1.00 44.23 N ATOM 0 H GLN A 27 29.997 5.008 -33.447 1.00 23.51 H new ATOM 0 HA GLN A 27 30.752 2.332 -33.628 1.00 54.41 H new ATOM 0 HB2 GLN A 27 31.798 2.139 -31.299 1.00 35.15 H new ATOM 0 HB3 GLN A 27 32.835 2.727 -32.583 1.00 35.15 H new ATOM 0 HG2 GLN A 27 32.689 4.987 -31.810 1.00 31.13 H new ATOM 0 HG3 GLN A 27 31.349 4.617 -30.743 1.00 31.13 H new ATOM 0 HE21 GLN A 27 32.318 5.328 -28.852 1.00 44.23 H new ATOM 0 HE22 GLN A 27 33.703 4.509 -28.121 1.00 44.23 H new ATOM 436 N VAL A 28 29.271 1.870 -31.435 1.00 3.05 N ATOM 437 CA VAL A 28 28.087 1.637 -30.617 1.00 24.14 C ATOM 438 C VAL A 28 28.231 2.284 -29.244 1.00 72.01 C ATOM 439 O VAL A 28 29.332 2.375 -28.702 1.00 14.41 O ATOM 440 CB VAL A 28 27.814 0.132 -30.438 1.00 50.21 C ATOM 441 CG1 VAL A 28 26.483 -0.090 -29.737 1.00 4.54 C ATOM 442 CG2 VAL A 28 27.843 -0.578 -31.784 1.00 44.43 C ATOM 0 H VAL A 28 29.918 1.082 -31.474 1.00 3.05 H new ATOM 0 HA VAL A 28 27.246 2.090 -31.142 1.00 24.14 H new ATOM 0 HB VAL A 28 28.601 -0.291 -29.813 1.00 50.21 H new ATOM 0 HG11 VAL A 28 26.308 -1.159 -29.620 1.00 4.54 H new ATOM 0 HG12 VAL A 28 26.505 0.384 -28.756 1.00 4.54 H new ATOM 0 HG13 VAL A 28 25.681 0.346 -30.333 1.00 4.54 H new ATOM 0 HG21 VAL A 28 27.648 -1.641 -31.639 1.00 44.43 H new ATOM 0 HG22 VAL A 28 27.078 -0.154 -32.435 1.00 44.43 H new ATOM 0 HG23 VAL A 28 28.823 -0.448 -32.243 1.00 44.43 H new ATOM 452 N VAL A 29 27.112 2.732 -28.686 1.00 62.35 N ATOM 453 CA VAL A 29 27.112 3.369 -27.375 1.00 73.41 C ATOM 454 C VAL A 29 25.887 2.960 -26.564 1.00 41.43 C ATOM 455 O VAL A 29 24.849 3.621 -26.584 1.00 63.42 O ATOM 456 CB VAL A 29 27.144 4.904 -27.497 1.00 24.34 C ATOM 457 CG1 VAL A 29 27.132 5.550 -26.119 1.00 32.35 C ATOM 458 CG2 VAL A 29 28.361 5.350 -28.292 1.00 63.42 C ATOM 0 H VAL A 29 26.192 2.666 -29.122 1.00 62.35 H new ATOM 0 HA VAL A 29 28.013 3.034 -26.861 1.00 73.41 H new ATOM 0 HB VAL A 29 26.251 5.227 -28.032 1.00 24.34 H new ATOM 0 HG11 VAL A 29 27.155 6.635 -26.225 1.00 32.35 H new ATOM 0 HG12 VAL A 29 26.227 5.257 -25.587 1.00 32.35 H new ATOM 0 HG13 VAL A 29 28.006 5.222 -25.556 1.00 32.35 H new ATOM 0 HG21 VAL A 29 28.367 6.437 -28.368 1.00 63.42 H new ATOM 0 HG22 VAL A 29 29.268 5.016 -27.787 1.00 63.42 H new ATOM 0 HG23 VAL A 29 28.322 4.917 -29.291 1.00 63.42 H new ATOM 468 N PRO A 30 26.010 1.842 -25.832 1.00 73.00 N ATOM 469 CA PRO A 30 24.923 1.320 -24.998 1.00 3.14 C ATOM 470 C PRO A 30 24.646 2.202 -23.786 1.00 71.14 C ATOM 471 O PRO A 30 25.536 2.895 -23.294 1.00 11.03 O ATOM 472 CB PRO A 30 25.443 -0.050 -24.556 1.00 20.11 C ATOM 473 CG PRO A 30 26.926 0.069 -24.619 1.00 44.03 C ATOM 474 CD PRO A 30 27.218 1.004 -25.760 1.00 41.22 C ATOM 0 HA PRO A 30 23.978 1.278 -25.539 1.00 3.14 H new ATOM 0 HB2 PRO A 30 25.108 -0.294 -23.548 1.00 20.11 H new ATOM 0 HB3 PRO A 30 25.081 -0.841 -25.212 1.00 20.11 H new ATOM 0 HG2 PRO A 30 27.326 0.458 -23.683 1.00 44.03 H new ATOM 0 HG3 PRO A 30 27.389 -0.904 -24.783 1.00 44.03 H new ATOM 0 HD2 PRO A 30 28.110 1.601 -25.572 1.00 41.22 H new ATOM 0 HD3 PRO A 30 27.387 0.462 -26.690 1.00 41.22 H new ATOM 482 N ALA A 31 23.406 2.171 -23.307 1.00 53.34 N ATOM 483 CA ALA A 31 23.013 2.966 -22.151 1.00 43.44 C ATOM 484 C ALA A 31 21.698 2.466 -21.563 1.00 41.51 C ATOM 485 O ALA A 31 20.805 2.032 -22.291 1.00 52.01 O ATOM 486 CB ALA A 31 22.898 4.433 -22.534 1.00 11.05 C ATOM 0 H ALA A 31 22.657 1.603 -23.703 1.00 53.34 H new ATOM 0 HA ALA A 31 23.785 2.861 -21.389 1.00 43.44 H new ATOM 0 HB1 ALA A 31 22.604 5.015 -21.661 1.00 11.05 H new ATOM 0 HB2 ALA A 31 23.861 4.790 -22.900 1.00 11.05 H new ATOM 0 HB3 ALA A 31 22.147 4.547 -23.316 1.00 11.05 H new ATOM 492 N LYS A 32 21.585 2.529 -20.241 1.00 42.21 N ATOM 493 CA LYS A 32 20.378 2.083 -19.553 1.00 42.03 C ATOM 494 C LYS A 32 19.305 3.166 -19.582 1.00 53.43 C ATOM 495 O LYS A 32 19.612 4.358 -19.567 1.00 15.15 O ATOM 496 CB LYS A 32 20.701 1.709 -18.105 1.00 10.13 C ATOM 497 CG LYS A 32 19.813 0.608 -17.549 1.00 15.14 C ATOM 498 CD LYS A 32 19.913 0.521 -16.036 1.00 43.25 C ATOM 499 CE LYS A 32 19.268 -0.751 -15.507 1.00 41.14 C ATOM 500 NZ LYS A 32 18.811 -0.595 -14.099 1.00 23.12 N1+ ATOM 0 H LYS A 32 22.315 2.885 -19.624 1.00 42.21 H new ATOM 0 HA LYS A 32 19.997 1.204 -20.072 1.00 42.03 H new ATOM 0 HB2 LYS A 32 21.742 1.391 -18.044 1.00 10.13 H new ATOM 0 HB3 LYS A 32 20.602 2.596 -17.479 1.00 10.13 H new ATOM 0 HG2 LYS A 32 18.778 0.795 -17.836 1.00 15.14 H new ATOM 0 HG3 LYS A 32 20.098 -0.348 -17.989 1.00 15.14 H new ATOM 0 HD2 LYS A 32 20.961 0.550 -15.737 1.00 43.25 H new ATOM 0 HD3 LYS A 32 19.429 1.389 -15.588 1.00 43.25 H new ATOM 0 HE2 LYS A 32 18.419 -1.017 -16.137 1.00 41.14 H new ATOM 0 HE3 LYS A 32 19.981 -1.573 -15.569 1.00 41.14 H new ATOM 0 HZ1 LYS A 32 18.377 -1.483 -13.774 1.00 23.12 H new ATOM 0 HZ2 LYS A 32 19.625 -0.366 -13.493 1.00 23.12 H new ATOM 0 HZ3 LYS A 32 18.111 0.173 -14.044 1.00 23.12 H new ATOM 514 N ALA A 33 18.045 2.744 -19.621 1.00 74.42 N ATOM 515 CA ALA A 33 16.927 3.679 -19.648 1.00 62.44 C ATOM 516 C ALA A 33 16.059 3.532 -18.403 1.00 33.43 C ATOM 517 O ALA A 33 15.862 2.427 -17.898 1.00 52.11 O ATOM 518 CB ALA A 33 16.093 3.466 -20.903 1.00 44.12 C ATOM 0 H ALA A 33 17.773 1.761 -19.635 1.00 74.42 H new ATOM 0 HA ALA A 33 17.331 4.691 -19.660 1.00 62.44 H new ATOM 0 HB1 ALA A 33 15.261 4.170 -20.911 1.00 44.12 H new ATOM 0 HB2 ALA A 33 16.714 3.628 -21.784 1.00 44.12 H new ATOM 0 HB3 ALA A 33 15.706 2.447 -20.914 1.00 44.12 H new ATOM 524 N VAL A 34 15.543 4.654 -17.912 1.00 63.33 N ATOM 525 CA VAL A 34 14.696 4.650 -16.725 1.00 45.44 C ATOM 526 C VAL A 34 13.222 4.738 -17.102 1.00 54.42 C ATOM 527 O VAL A 34 12.868 5.304 -18.138 1.00 75.20 O ATOM 528 CB VAL A 34 15.044 5.819 -15.783 1.00 12.22 C ATOM 529 CG1 VAL A 34 14.306 5.676 -14.461 1.00 2.34 C ATOM 530 CG2 VAL A 34 16.547 5.892 -15.559 1.00 72.31 C ATOM 0 H VAL A 34 15.697 5.577 -18.318 1.00 63.33 H new ATOM 0 HA VAL A 34 14.881 3.709 -16.208 1.00 45.44 H new ATOM 0 HB VAL A 34 14.724 6.750 -16.252 1.00 12.22 H new ATOM 0 HG11 VAL A 34 14.564 6.510 -13.808 1.00 2.34 H new ATOM 0 HG12 VAL A 34 13.231 5.676 -14.642 1.00 2.34 H new ATOM 0 HG13 VAL A 34 14.593 4.739 -13.983 1.00 2.34 H new ATOM 0 HG21 VAL A 34 16.775 6.723 -14.892 1.00 72.31 H new ATOM 0 HG22 VAL A 34 16.894 4.961 -15.111 1.00 72.31 H new ATOM 0 HG23 VAL A 34 17.050 6.045 -16.514 1.00 72.31 H new ATOM 540 N CYS A 35 12.365 4.176 -16.256 1.00 52.54 N ATOM 541 CA CYS A 35 10.927 4.190 -16.500 1.00 31.55 C ATOM 542 C CYS A 35 10.432 5.612 -16.746 1.00 12.13 C ATOM 543 O CYS A 35 10.508 6.468 -15.865 1.00 51.25 O ATOM 544 CB CYS A 35 10.182 3.575 -15.315 1.00 11.41 C ATOM 545 SG CYS A 35 10.655 4.258 -13.709 1.00 13.12 S ATOM 0 H CYS A 35 12.642 3.705 -15.395 1.00 52.54 H new ATOM 0 HA CYS A 35 10.728 3.596 -17.392 1.00 31.55 H new ATOM 0 HB2 CYS A 35 9.111 3.720 -15.458 1.00 11.41 H new ATOM 0 HB3 CYS A 35 10.360 2.500 -15.307 1.00 11.41 H new ATOM 0 HG CYS A 35 10.832 5.541 -13.818 1.00 13.12 H new ATOM 551 N GLY A 36 9.926 5.857 -17.951 1.00 33.13 N ATOM 552 CA GLY A 36 9.427 7.176 -18.291 1.00 22.01 C ATOM 553 C GLY A 36 10.543 8.177 -18.520 1.00 2.31 C ATOM 554 O GLY A 36 10.349 9.382 -18.357 1.00 12.12 O ATOM 0 H GLY A 36 9.853 5.166 -18.697 1.00 33.13 H new ATOM 0 HA2 GLY A 36 8.814 7.109 -19.189 1.00 22.01 H new ATOM 0 HA3 GLY A 36 8.781 7.534 -17.490 1.00 22.01 H new ATOM 558 N SER A 37 11.715 7.677 -18.897 1.00 14.13 N ATOM 559 CA SER A 37 12.869 8.536 -19.143 1.00 31.10 C ATOM 560 C SER A 37 12.756 9.221 -20.502 1.00 73.20 C ATOM 561 O SER A 37 11.712 9.170 -21.152 1.00 73.03 O ATOM 562 CB SER A 37 14.161 7.720 -19.075 1.00 61.42 C ATOM 563 OG SER A 37 14.230 6.786 -20.138 1.00 54.42 O ATOM 0 H SER A 37 11.891 6.682 -19.039 1.00 14.13 H new ATOM 0 HA SER A 37 12.892 9.304 -18.370 1.00 31.10 H new ATOM 0 HB2 SER A 37 15.020 8.389 -19.118 1.00 61.42 H new ATOM 0 HB3 SER A 37 14.214 7.195 -18.121 1.00 61.42 H new ATOM 0 HG SER A 37 13.789 5.953 -19.870 1.00 54.42 H new ATOM 569 N THR A 38 13.840 9.862 -20.925 1.00 25.44 N ATOM 570 CA THR A 38 13.865 10.560 -22.205 1.00 13.34 C ATOM 571 C THR A 38 15.167 10.294 -22.951 1.00 44.22 C ATOM 572 O THR A 38 16.234 10.198 -22.344 1.00 73.14 O ATOM 573 CB THR A 38 13.693 12.079 -22.021 1.00 44.44 C ATOM 574 OG1 THR A 38 13.642 12.401 -20.626 1.00 11.42 O ATOM 575 CG2 THR A 38 12.426 12.568 -22.706 1.00 11.40 C ATOM 0 H THR A 38 14.713 9.913 -20.400 1.00 25.44 H new ATOM 0 HA THR A 38 13.029 10.176 -22.790 1.00 13.34 H new ATOM 0 HB THR A 38 14.549 12.577 -22.478 1.00 44.44 H new ATOM 0 HG1 THR A 38 13.534 13.369 -20.517 1.00 11.42 H new ATOM 0 HG21 THR A 38 12.327 13.644 -22.562 1.00 11.40 H new ATOM 0 HG22 THR A 38 12.481 12.348 -23.772 1.00 11.40 H new ATOM 0 HG23 THR A 38 11.561 12.063 -22.275 1.00 11.40 H new ATOM 583 N VAL A 39 15.074 10.176 -24.271 1.00 70.42 N ATOM 584 CA VAL A 39 16.246 9.924 -25.102 1.00 33.14 C ATOM 585 C VAL A 39 17.342 10.947 -24.830 1.00 42.12 C ATOM 586 O VAL A 39 18.428 10.601 -24.362 1.00 10.21 O ATOM 587 CB VAL A 39 15.890 9.953 -26.600 1.00 65.42 C ATOM 588 CG1 VAL A 39 17.131 9.722 -27.448 1.00 4.01 C ATOM 589 CG2 VAL A 39 14.819 8.920 -26.913 1.00 35.23 C ATOM 0 H VAL A 39 14.199 10.251 -24.789 1.00 70.42 H new ATOM 0 HA VAL A 39 16.609 8.929 -24.843 1.00 33.14 H new ATOM 0 HB VAL A 39 15.492 10.939 -26.843 1.00 65.42 H new ATOM 0 HG11 VAL A 39 16.860 9.746 -28.504 1.00 4.01 H new ATOM 0 HG12 VAL A 39 17.862 10.504 -27.243 1.00 4.01 H new ATOM 0 HG13 VAL A 39 17.561 8.750 -27.206 1.00 4.01 H new ATOM 0 HG21 VAL A 39 14.580 8.955 -27.976 1.00 35.23 H new ATOM 0 HG22 VAL A 39 15.186 7.926 -26.656 1.00 35.23 H new ATOM 0 HG23 VAL A 39 13.923 9.138 -26.332 1.00 35.23 H new ATOM 599 N LEU A 40 17.053 12.208 -25.127 1.00 4.40 N ATOM 600 CA LEU A 40 18.014 13.285 -24.914 1.00 4.13 C ATOM 601 C LEU A 40 18.519 13.288 -23.474 1.00 3.52 C ATOM 602 O LEU A 40 19.670 13.638 -23.210 1.00 65.40 O ATOM 603 CB LEU A 40 17.380 14.636 -25.248 1.00 11.34 C ATOM 604 CG LEU A 40 16.088 14.973 -24.501 1.00 34.30 C ATOM 605 CD1 LEU A 40 16.125 16.406 -23.992 1.00 31.55 C ATOM 606 CD2 LEU A 40 14.880 14.754 -25.400 1.00 22.30 C ATOM 0 H LEU A 40 16.160 12.511 -25.516 1.00 4.40 H new ATOM 0 HA LEU A 40 18.863 13.117 -25.577 1.00 4.13 H new ATOM 0 HB2 LEU A 40 18.110 15.419 -25.042 1.00 11.34 H new ATOM 0 HB3 LEU A 40 17.176 14.665 -26.318 1.00 11.34 H new ATOM 0 HG LEU A 40 16.002 14.307 -23.643 1.00 34.30 H new ATOM 0 HD11 LEU A 40 15.198 16.628 -23.463 1.00 31.55 H new ATOM 0 HD12 LEU A 40 16.969 16.529 -23.313 1.00 31.55 H new ATOM 0 HD13 LEU A 40 16.235 17.089 -24.835 1.00 31.55 H new ATOM 0 HD21 LEU A 40 13.970 14.999 -24.852 1.00 22.30 H new ATOM 0 HD22 LEU A 40 14.959 15.395 -26.278 1.00 22.30 H new ATOM 0 HD23 LEU A 40 14.845 13.711 -25.715 1.00 22.30 H new ATOM 618 N ASP A 41 17.651 12.895 -22.549 1.00 72.45 N ATOM 619 CA ASP A 41 18.009 12.850 -21.135 1.00 42.14 C ATOM 620 C ASP A 41 18.955 11.687 -20.852 1.00 25.23 C ATOM 621 O ASP A 41 19.754 11.737 -19.916 1.00 10.41 O ATOM 622 CB ASP A 41 16.752 12.723 -20.272 1.00 13.44 C ATOM 623 CG ASP A 41 17.033 12.959 -18.802 1.00 24.42 C ATOM 624 OD1 ASP A 41 17.429 11.996 -18.111 1.00 41.20 O ATOM 625 OD2 ASP A 41 16.859 14.107 -18.341 1.00 64.23 O1- ATOM 0 H ASP A 41 16.695 12.603 -22.752 1.00 72.45 H new ATOM 0 HA ASP A 41 18.519 13.780 -20.884 1.00 42.14 H new ATOM 0 HB2 ASP A 41 16.005 13.439 -20.616 1.00 13.44 H new ATOM 0 HB3 ASP A 41 16.324 11.729 -20.402 1.00 13.44 H new ATOM 630 N VAL A 42 18.859 10.640 -21.666 1.00 2.11 N ATOM 631 CA VAL A 42 19.706 9.465 -21.502 1.00 13.25 C ATOM 632 C VAL A 42 21.112 9.723 -22.032 1.00 11.24 C ATOM 633 O VAL A 42 22.102 9.379 -21.387 1.00 54.34 O ATOM 634 CB VAL A 42 19.113 8.242 -22.225 1.00 43.20 C ATOM 635 CG1 VAL A 42 20.077 7.067 -22.165 1.00 3.53 C ATOM 636 CG2 VAL A 42 17.767 7.869 -21.624 1.00 61.21 C ATOM 0 H VAL A 42 18.203 10.582 -22.445 1.00 2.11 H new ATOM 0 HA VAL A 42 19.757 9.257 -20.433 1.00 13.25 H new ATOM 0 HB VAL A 42 18.958 8.501 -23.272 1.00 43.20 H new ATOM 0 HG11 VAL A 42 19.641 6.212 -22.681 1.00 3.53 H new ATOM 0 HG12 VAL A 42 21.016 7.341 -22.647 1.00 3.53 H new ATOM 0 HG13 VAL A 42 20.266 6.805 -21.124 1.00 3.53 H new ATOM 0 HG21 VAL A 42 17.362 7.003 -22.147 1.00 61.21 H new ATOM 0 HG22 VAL A 42 17.894 7.629 -20.568 1.00 61.21 H new ATOM 0 HG23 VAL A 42 17.078 8.708 -21.725 1.00 61.21 H new ATOM 646 N ALA A 43 21.191 10.331 -23.211 1.00 21.42 N ATOM 647 CA ALA A 43 22.477 10.638 -23.827 1.00 20.42 C ATOM 648 C ALA A 43 23.353 11.459 -22.889 1.00 42.52 C ATOM 649 O ALA A 43 24.581 11.394 -22.953 1.00 14.32 O ATOM 650 CB ALA A 43 22.269 11.377 -25.141 1.00 62.22 C ATOM 0 H ALA A 43 20.381 10.621 -23.759 1.00 21.42 H new ATOM 0 HA ALA A 43 22.989 9.697 -24.029 1.00 20.42 H new ATOM 0 HB1 ALA A 43 23.237 11.600 -25.590 1.00 62.22 H new ATOM 0 HB2 ALA A 43 21.688 10.754 -25.821 1.00 62.22 H new ATOM 0 HB3 ALA A 43 21.733 12.307 -24.954 1.00 62.22 H new ATOM 656 N HIS A 44 22.715 12.234 -22.017 1.00 12.51 N ATOM 657 CA HIS A 44 23.438 13.070 -21.064 1.00 50.24 C ATOM 658 C HIS A 44 24.070 12.218 -19.967 1.00 54.31 C ATOM 659 O HIS A 44 25.074 12.606 -19.367 1.00 12.45 O ATOM 660 CB HIS A 44 22.497 14.105 -20.446 1.00 75.20 C ATOM 661 CG HIS A 44 23.212 15.220 -19.747 1.00 61.53 C ATOM 662 ND1 HIS A 44 24.382 15.778 -20.219 1.00 44.12 N ATOM 663 CD2 HIS A 44 22.915 15.883 -18.604 1.00 13.23 C ATOM 664 CE1 HIS A 44 24.774 16.734 -19.397 1.00 32.52 C ATOM 665 NE2 HIS A 44 23.901 16.819 -18.409 1.00 53.52 N ATOM 0 H HIS A 44 21.699 12.301 -21.951 1.00 12.51 H new ATOM 0 HA HIS A 44 24.233 13.588 -21.600 1.00 50.24 H new ATOM 0 HB2 HIS A 44 21.865 14.524 -21.229 1.00 75.20 H new ATOM 0 HB3 HIS A 44 21.837 13.606 -19.737 1.00 75.20 H new ATOM 0 HD2 HIS A 44 22.062 15.708 -17.965 1.00 13.23 H new ATOM 0 HE1 HIS A 44 25.658 17.343 -19.513 1.00 32.52 H new ATOM 0 HE2 HIS A 44 23.951 17.473 -17.628 1.00 53.52 H new ATOM 673 N LYS A 45 23.476 11.059 -19.708 1.00 13.22 N ATOM 674 CA LYS A 45 23.981 10.152 -18.682 1.00 44.10 C ATOM 675 C LYS A 45 25.174 9.356 -19.200 1.00 71.53 C ATOM 676 O LYS A 45 26.239 9.346 -18.585 1.00 73.03 O ATOM 677 CB LYS A 45 22.875 9.198 -18.228 1.00 74.53 C ATOM 678 CG LYS A 45 21.581 9.900 -17.855 1.00 40.45 C ATOM 679 CD LYS A 45 21.761 10.792 -16.637 1.00 63.15 C ATOM 680 CE LYS A 45 21.711 9.989 -15.346 1.00 32.12 C ATOM 681 NZ LYS A 45 23.057 9.488 -14.952 1.00 61.40 N1+ ATOM 0 H LYS A 45 22.644 10.724 -20.194 1.00 13.22 H new ATOM 0 HA LYS A 45 24.308 10.750 -17.831 1.00 44.10 H new ATOM 0 HB2 LYS A 45 22.674 8.483 -19.026 1.00 74.53 H new ATOM 0 HB3 LYS A 45 23.229 8.627 -17.370 1.00 74.53 H new ATOM 0 HG2 LYS A 45 21.235 10.499 -18.698 1.00 40.45 H new ATOM 0 HG3 LYS A 45 20.809 9.158 -17.653 1.00 40.45 H new ATOM 0 HD2 LYS A 45 22.715 11.314 -16.705 1.00 63.15 H new ATOM 0 HD3 LYS A 45 20.981 11.553 -16.624 1.00 63.15 H new ATOM 0 HE2 LYS A 45 21.307 10.611 -14.547 1.00 32.12 H new ATOM 0 HE3 LYS A 45 21.031 9.146 -15.469 1.00 32.12 H new ATOM 0 HZ1 LYS A 45 23.047 8.448 -14.927 1.00 61.40 H new ATOM 0 HZ2 LYS A 45 23.764 9.811 -15.643 1.00 61.40 H new ATOM 0 HZ3 LYS A 45 23.302 9.854 -14.010 1.00 61.40 H new ATOM 695 N ASN A 46 24.988 8.690 -20.336 1.00 44.51 N ATOM 696 CA ASN A 46 26.050 7.891 -20.935 1.00 43.23 C ATOM 697 C ASN A 46 26.962 8.758 -21.797 1.00 15.11 C ATOM 698 O ASN A 46 27.885 8.260 -22.440 1.00 20.00 O ATOM 699 CB ASN A 46 25.453 6.764 -21.780 1.00 55.02 C ATOM 700 CG ASN A 46 25.439 5.437 -21.046 1.00 74.42 C ATOM 701 OD1 ASN A 46 24.546 5.168 -20.242 1.00 22.42 O ATOM 702 ND2 ASN A 46 26.432 4.598 -21.320 1.00 50.43 N ATOM 0 H ASN A 46 24.112 8.688 -20.859 1.00 44.51 H new ATOM 0 HA ASN A 46 26.644 7.458 -20.130 1.00 43.23 H new ATOM 0 HB2 ASN A 46 24.435 7.028 -22.067 1.00 55.02 H new ATOM 0 HB3 ASN A 46 26.027 6.661 -22.701 1.00 55.02 H new ATOM 0 HD21 ASN A 46 26.475 3.690 -20.857 1.00 50.43 H new ATOM 0 HD22 ASN A 46 27.151 4.862 -21.993 1.00 50.43 H new ATOM 709 N GLY A 47 26.697 10.061 -21.805 1.00 71.54 N ATOM 710 CA GLY A 47 27.503 10.978 -22.589 1.00 65.12 C ATOM 711 C GLY A 47 27.390 10.720 -24.079 1.00 62.25 C ATOM 712 O GLY A 47 28.210 11.197 -24.863 1.00 22.30 O ATOM 0 H GLY A 47 25.938 10.498 -21.282 1.00 71.54 H new ATOM 0 HA2 GLY A 47 27.194 12.001 -22.376 1.00 65.12 H new ATOM 0 HA3 GLY A 47 28.546 10.890 -22.286 1.00 65.12 H new ATOM 716 N VAL A 48 26.371 9.961 -24.470 1.00 31.22 N ATOM 717 CA VAL A 48 26.154 9.639 -25.876 1.00 41.02 C ATOM 718 C VAL A 48 26.135 10.900 -26.732 1.00 3.44 C ATOM 719 O VAL A 48 25.400 11.845 -26.447 1.00 22.32 O ATOM 720 CB VAL A 48 24.833 8.874 -26.078 1.00 34.34 C ATOM 721 CG1 VAL A 48 24.614 8.568 -27.552 1.00 23.24 C ATOM 722 CG2 VAL A 48 24.825 7.596 -25.253 1.00 32.44 C ATOM 0 H VAL A 48 25.683 9.558 -23.834 1.00 31.22 H new ATOM 0 HA VAL A 48 26.984 9.005 -26.188 1.00 41.02 H new ATOM 0 HB VAL A 48 24.012 9.505 -25.736 1.00 34.34 H new ATOM 0 HG11 VAL A 48 23.676 8.027 -27.676 1.00 23.24 H new ATOM 0 HG12 VAL A 48 24.572 9.500 -28.115 1.00 23.24 H new ATOM 0 HG13 VAL A 48 25.437 7.957 -27.923 1.00 23.24 H new ATOM 0 HG21 VAL A 48 23.884 7.069 -25.408 1.00 32.44 H new ATOM 0 HG22 VAL A 48 25.653 6.958 -25.562 1.00 32.44 H new ATOM 0 HG23 VAL A 48 24.932 7.844 -24.197 1.00 32.44 H new ATOM 732 N ASP A 49 26.948 10.908 -27.783 1.00 40.14 N ATOM 733 CA ASP A 49 27.025 12.052 -28.683 1.00 14.22 C ATOM 734 C ASP A 49 25.772 12.148 -29.548 1.00 34.02 C ATOM 735 O ASP A 49 25.770 11.726 -30.706 1.00 75.21 O ATOM 736 CB ASP A 49 28.266 11.949 -29.570 1.00 52.55 C ATOM 737 CG ASP A 49 28.474 13.186 -30.421 1.00 23.12 C ATOM 738 OD1 ASP A 49 27.922 14.250 -30.067 1.00 1.55 O ATOM 739 OD2 ASP A 49 29.192 13.093 -31.438 1.00 61.21 O1- ATOM 0 H ASP A 49 27.564 10.134 -28.032 1.00 40.14 H new ATOM 0 HA ASP A 49 27.096 12.955 -28.077 1.00 14.22 H new ATOM 0 HB2 ASP A 49 29.144 11.790 -28.944 1.00 52.55 H new ATOM 0 HB3 ASP A 49 28.175 11.077 -30.218 1.00 52.55 H new ATOM 744 N LEU A 50 24.707 12.703 -28.979 1.00 12.10 N ATOM 745 CA LEU A 50 23.447 12.853 -29.697 1.00 14.20 C ATOM 746 C LEU A 50 22.964 14.299 -29.654 1.00 31.24 C ATOM 747 O LEU A 50 22.471 14.769 -28.629 1.00 24.23 O ATOM 748 CB LEU A 50 22.383 11.931 -29.098 1.00 11.15 C ATOM 749 CG LEU A 50 21.329 11.402 -30.072 1.00 12.15 C ATOM 750 CD1 LEU A 50 20.493 10.314 -29.415 1.00 70.43 C ATOM 751 CD2 LEU A 50 20.441 12.536 -30.565 1.00 5.33 C ATOM 0 H LEU A 50 24.692 13.056 -28.022 1.00 12.10 H new ATOM 0 HA LEU A 50 23.616 12.576 -30.738 1.00 14.20 H new ATOM 0 HB2 LEU A 50 22.885 11.079 -28.639 1.00 11.15 H new ATOM 0 HB3 LEU A 50 21.873 12.469 -28.299 1.00 11.15 H new ATOM 0 HG LEU A 50 21.841 10.969 -30.931 1.00 12.15 H new ATOM 0 HD11 LEU A 50 19.749 9.950 -30.123 1.00 70.43 H new ATOM 0 HD12 LEU A 50 21.140 9.490 -29.113 1.00 70.43 H new ATOM 0 HD13 LEU A 50 19.991 10.721 -28.538 1.00 70.43 H new ATOM 0 HD21 LEU A 50 19.697 12.141 -31.257 1.00 5.33 H new ATOM 0 HD22 LEU A 50 19.938 12.999 -29.716 1.00 5.33 H new ATOM 0 HD23 LEU A 50 21.052 13.281 -31.075 1.00 5.33 H new ATOM 905 N CYS A 63 14.608 14.841 -38.403 1.00 12.42 N ATOM 906 CA CYS A 63 15.003 13.799 -37.463 1.00 3.52 C ATOM 907 C CYS A 63 15.243 12.476 -38.186 1.00 2.45 C ATOM 908 O CYS A 63 15.030 11.401 -37.625 1.00 4.13 O ATOM 909 CB CYS A 63 13.928 13.618 -36.389 1.00 25.53 C ATOM 910 SG CYS A 63 14.511 12.758 -34.892 1.00 22.10 S ATOM 0 HA CYS A 63 15.934 14.107 -36.988 1.00 3.52 H new ATOM 0 HB2 CYS A 63 13.544 14.598 -36.106 1.00 25.53 H new ATOM 0 HB3 CYS A 63 13.094 13.059 -36.815 1.00 25.53 H new ATOM 0 HG CYS A 63 13.492 12.281 -34.241 1.00 22.10 H new ATOM 915 N HIS A 64 15.687 12.563 -39.436 1.00 63.44 N ATOM 916 CA HIS A 64 15.957 11.375 -40.236 1.00 3.42 C ATOM 917 C HIS A 64 17.065 10.536 -39.607 1.00 30.22 C ATOM 918 O HIS A 64 18.249 10.781 -39.836 1.00 61.33 O ATOM 919 CB HIS A 64 16.348 11.770 -41.661 1.00 52.43 C ATOM 920 CG HIS A 64 15.400 12.742 -42.294 1.00 13.30 C ATOM 921 ND1 HIS A 64 14.083 12.868 -41.908 1.00 62.35 N ATOM 922 CD2 HIS A 64 15.585 13.637 -43.293 1.00 65.44 C ATOM 923 CE1 HIS A 64 13.498 13.798 -42.642 1.00 13.15 C ATOM 924 NE2 HIS A 64 14.389 14.280 -43.490 1.00 23.12 N ATOM 0 H HIS A 64 15.867 13.445 -39.916 1.00 63.44 H new ATOM 0 HA HIS A 64 15.046 10.777 -40.270 1.00 3.42 H new ATOM 0 HB2 HIS A 64 17.347 12.206 -41.647 1.00 52.43 H new ATOM 0 HB3 HIS A 64 16.400 10.872 -42.277 1.00 52.43 H new ATOM 0 HD2 HIS A 64 16.503 13.812 -43.834 1.00 65.44 H new ATOM 0 HE1 HIS A 64 12.467 14.111 -42.562 1.00 13.15 H new ATOM 0 HE2 HIS A 64 14.216 15.012 -44.179 1.00 23.12 H new ATOM 932 N VAL A 65 16.671 9.545 -38.812 1.00 61.11 N ATOM 933 CA VAL A 65 17.630 8.670 -38.148 1.00 32.34 C ATOM 934 C VAL A 65 17.297 7.204 -38.394 1.00 22.50 C ATOM 935 O VAL A 65 16.152 6.857 -38.684 1.00 34.33 O ATOM 936 CB VAL A 65 17.670 8.929 -36.631 1.00 11.13 C ATOM 937 CG1 VAL A 65 18.879 8.248 -36.004 1.00 72.25 C ATOM 938 CG2 VAL A 65 17.682 10.423 -36.345 1.00 23.01 C ATOM 0 H VAL A 65 15.694 9.329 -38.613 1.00 61.11 H new ATOM 0 HA VAL A 65 18.609 8.893 -38.572 1.00 32.34 H new ATOM 0 HB VAL A 65 16.771 8.504 -36.184 1.00 11.13 H new ATOM 0 HG11 VAL A 65 18.890 8.442 -34.932 1.00 72.25 H new ATOM 0 HG12 VAL A 65 18.822 7.173 -36.178 1.00 72.25 H new ATOM 0 HG13 VAL A 65 19.791 8.640 -36.454 1.00 72.25 H new ATOM 0 HG21 VAL A 65 17.710 10.587 -35.268 1.00 23.01 H new ATOM 0 HG22 VAL A 65 18.562 10.874 -36.804 1.00 23.01 H new ATOM 0 HG23 VAL A 65 16.783 10.880 -36.758 1.00 23.01 H new ATOM 948 N ILE A 66 18.305 6.346 -38.278 1.00 21.12 N ATOM 949 CA ILE A 66 18.118 4.915 -38.486 1.00 32.41 C ATOM 950 C ILE A 66 17.750 4.213 -37.183 1.00 54.10 C ATOM 951 O ILE A 66 18.397 4.412 -36.155 1.00 14.31 O ATOM 952 CB ILE A 66 19.384 4.260 -39.069 1.00 13.50 C ATOM 953 CG1 ILE A 66 19.676 4.817 -40.464 1.00 41.34 C ATOM 954 CG2 ILE A 66 19.224 2.748 -39.118 1.00 64.43 C ATOM 955 CD1 ILE A 66 20.984 4.329 -41.048 1.00 62.21 C ATOM 0 H ILE A 66 19.259 6.617 -38.041 1.00 21.12 H new ATOM 0 HA ILE A 66 17.301 4.805 -39.199 1.00 32.41 H new ATOM 0 HB ILE A 66 20.228 4.495 -38.421 1.00 13.50 H new ATOM 0 HG12 ILE A 66 18.862 4.540 -41.134 1.00 41.34 H new ATOM 0 HG13 ILE A 66 19.693 5.906 -40.415 1.00 41.34 H new ATOM 0 HG21 ILE A 66 20.127 2.300 -39.532 1.00 64.43 H new ATOM 0 HG22 ILE A 66 19.059 2.367 -38.110 1.00 64.43 H new ATOM 0 HG23 ILE A 66 18.371 2.493 -39.747 1.00 64.43 H new ATOM 0 HD11 ILE A 66 21.125 4.764 -42.037 1.00 62.21 H new ATOM 0 HD12 ILE A 66 21.807 4.629 -40.399 1.00 62.21 H new ATOM 0 HD13 ILE A 66 20.963 3.242 -41.129 1.00 62.21 H new ATOM 967 N LEU A 67 16.709 3.389 -37.235 1.00 62.31 N ATOM 968 CA LEU A 67 16.255 2.655 -36.059 1.00 64.04 C ATOM 969 C LEU A 67 16.137 1.164 -36.359 1.00 12.11 C ATOM 970 O LEU A 67 16.041 0.762 -37.518 1.00 61.41 O ATOM 971 CB LEU A 67 14.908 3.199 -35.582 1.00 53.02 C ATOM 972 CG LEU A 67 14.371 2.612 -34.276 1.00 54.25 C ATOM 973 CD1 LEU A 67 15.373 2.811 -33.149 1.00 12.14 C ATOM 974 CD2 LEU A 67 13.032 3.240 -33.920 1.00 10.33 C ATOM 0 H LEU A 67 16.164 3.213 -38.079 1.00 62.31 H new ATOM 0 HA LEU A 67 16.994 2.790 -35.270 1.00 64.04 H new ATOM 0 HB2 LEU A 67 14.997 4.279 -35.462 1.00 53.02 H new ATOM 0 HB3 LEU A 67 14.171 3.025 -36.366 1.00 53.02 H new ATOM 0 HG LEU A 67 14.221 1.541 -34.416 1.00 54.25 H new ATOM 0 HD11 LEU A 67 14.973 2.387 -32.228 1.00 12.14 H new ATOM 0 HD12 LEU A 67 16.309 2.313 -33.402 1.00 12.14 H new ATOM 0 HD13 LEU A 67 15.556 3.876 -33.009 1.00 12.14 H new ATOM 0 HD21 LEU A 67 12.665 2.810 -32.988 1.00 10.33 H new ATOM 0 HD22 LEU A 67 13.155 4.316 -33.800 1.00 10.33 H new ATOM 0 HD23 LEU A 67 12.315 3.044 -34.717 1.00 10.33 H new ATOM 986 N GLU A 68 16.144 0.351 -35.308 1.00 71.02 N ATOM 987 CA GLU A 68 16.035 -1.095 -35.460 1.00 2.24 C ATOM 988 C GLU A 68 14.945 -1.456 -36.466 1.00 45.14 C ATOM 989 O GLU A 68 13.891 -0.822 -36.507 1.00 70.41 O ATOM 990 CB GLU A 68 15.738 -1.752 -34.111 1.00 2.12 C ATOM 991 CG GLU A 68 16.827 -2.703 -33.644 1.00 61.11 C ATOM 992 CD GLU A 68 16.431 -4.160 -33.786 1.00 60.41 C ATOM 993 OE1 GLU A 68 15.722 -4.671 -32.893 1.00 23.25 O ATOM 994 OE2 GLU A 68 16.827 -4.788 -34.790 1.00 54.52 O1- ATOM 0 H GLU A 68 16.224 0.669 -34.342 1.00 71.02 H new ATOM 0 HA GLU A 68 16.988 -1.468 -35.834 1.00 2.24 H new ATOM 0 HB2 GLU A 68 15.600 -0.974 -33.360 1.00 2.12 H new ATOM 0 HB3 GLU A 68 14.797 -2.297 -34.181 1.00 2.12 H new ATOM 0 HG2 GLU A 68 17.735 -2.520 -34.219 1.00 61.11 H new ATOM 0 HG3 GLU A 68 17.063 -2.495 -32.600 1.00 61.11 H new ATOM 1001 N GLU A 69 15.209 -2.478 -37.274 1.00 22.44 N ATOM 1002 CA GLU A 69 14.250 -2.922 -38.280 1.00 73.04 C ATOM 1003 C GLU A 69 12.918 -3.296 -37.635 1.00 43.43 C ATOM 1004 O GLU A 69 11.870 -2.728 -37.942 1.00 23.14 O ATOM 1005 CB GLU A 69 14.808 -4.118 -39.055 1.00 71.35 C ATOM 1006 CG GLU A 69 15.241 -3.776 -40.470 1.00 42.54 C ATOM 1007 CD GLU A 69 15.799 -4.974 -41.214 1.00 13.13 C ATOM 1008 OE1 GLU A 69 16.906 -5.431 -40.857 1.00 54.15 O ATOM 1009 OE2 GLU A 69 15.131 -5.454 -42.153 1.00 42.34 O1- ATOM 0 H GLU A 69 16.077 -3.013 -37.252 1.00 22.44 H new ATOM 0 HA GLU A 69 14.080 -2.097 -38.972 1.00 73.04 H new ATOM 0 HB2 GLU A 69 15.660 -4.527 -38.512 1.00 71.35 H new ATOM 0 HB3 GLU A 69 14.050 -4.900 -39.095 1.00 71.35 H new ATOM 0 HG2 GLU A 69 14.389 -3.376 -41.020 1.00 42.54 H new ATOM 0 HG3 GLU A 69 15.996 -2.990 -40.435 1.00 42.54 H new ATOM 1016 N PRO A 70 12.960 -4.276 -36.720 1.00 54.22 N ATOM 1017 CA PRO A 70 11.766 -4.748 -36.013 1.00 20.10 C ATOM 1018 C PRO A 70 11.230 -3.717 -35.027 1.00 1.22 C ATOM 1019 O PRO A 70 10.034 -3.421 -35.011 1.00 33.25 O ATOM 1020 CB PRO A 70 12.263 -5.991 -35.269 1.00 54.11 C ATOM 1021 CG PRO A 70 13.725 -5.768 -35.095 1.00 53.54 C ATOM 1022 CD PRO A 70 14.175 -4.997 -36.305 1.00 23.21 C ATOM 0 HA PRO A 70 10.939 -4.944 -36.696 1.00 20.10 H new ATOM 0 HB2 PRO A 70 11.762 -6.103 -34.307 1.00 54.11 H new ATOM 0 HB3 PRO A 70 12.066 -6.899 -35.839 1.00 54.11 H new ATOM 0 HG2 PRO A 70 13.928 -5.211 -34.180 1.00 53.54 H new ATOM 0 HG3 PRO A 70 14.257 -6.716 -35.016 1.00 53.54 H new ATOM 0 HD2 PRO A 70 14.987 -4.311 -36.065 1.00 23.21 H new ATOM 0 HD3 PRO A 70 14.538 -5.659 -37.091 1.00 23.21 H new ATOM 1030 N LEU A 71 12.120 -3.171 -34.205 1.00 73.21 N ATOM 1031 CA LEU A 71 11.736 -2.171 -33.216 1.00 71.13 C ATOM 1032 C LEU A 71 10.948 -1.037 -33.864 1.00 14.24 C ATOM 1033 O LEU A 71 9.960 -0.558 -33.309 1.00 22.31 O ATOM 1034 CB LEU A 71 12.978 -1.610 -32.521 1.00 11.33 C ATOM 1035 CG LEU A 71 12.755 -1.002 -31.135 1.00 51.51 C ATOM 1036 CD1 LEU A 71 13.210 -1.966 -30.050 1.00 70.15 C ATOM 1037 CD2 LEU A 71 13.485 0.326 -31.012 1.00 52.41 C ATOM 0 H LEU A 71 13.113 -3.405 -34.204 1.00 73.21 H new ATOM 0 HA LEU A 71 11.099 -2.655 -32.476 1.00 71.13 H new ATOM 0 HB2 LEU A 71 13.712 -2.411 -32.431 1.00 11.33 H new ATOM 0 HB3 LEU A 71 13.416 -0.847 -33.164 1.00 11.33 H new ATOM 0 HG LEU A 71 11.688 -0.820 -31.006 1.00 51.51 H new ATOM 0 HD11 LEU A 71 13.044 -1.517 -29.071 1.00 70.15 H new ATOM 0 HD12 LEU A 71 12.641 -2.893 -30.125 1.00 70.15 H new ATOM 0 HD13 LEU A 71 14.271 -2.180 -30.175 1.00 70.15 H new ATOM 0 HD21 LEU A 71 13.315 0.744 -30.020 1.00 52.41 H new ATOM 0 HD22 LEU A 71 14.553 0.169 -31.162 1.00 52.41 H new ATOM 0 HD23 LEU A 71 13.111 1.018 -31.766 1.00 52.41 H new ATOM 1049 N TYR A 72 11.389 -0.616 -35.044 1.00 23.13 N ATOM 1050 CA TYR A 72 10.726 0.462 -35.769 1.00 72.33 C ATOM 1051 C TYR A 72 9.405 -0.016 -36.363 1.00 64.33 C ATOM 1052 O TYR A 72 8.362 0.609 -36.170 1.00 54.01 O ATOM 1053 CB TYR A 72 11.634 0.994 -36.878 1.00 62.53 C ATOM 1054 CG TYR A 72 10.995 2.078 -37.715 1.00 74.02 C ATOM 1055 CD1 TYR A 72 10.511 1.805 -38.989 1.00 13.23 C ATOM 1056 CD2 TYR A 72 10.876 3.377 -37.234 1.00 33.42 C ATOM 1057 CE1 TYR A 72 9.927 2.793 -39.758 1.00 74.45 C ATOM 1058 CE2 TYR A 72 10.292 4.370 -37.996 1.00 12.54 C ATOM 1059 CZ TYR A 72 9.819 4.073 -39.256 1.00 14.41 C ATOM 1060 OH TYR A 72 9.239 5.061 -40.019 1.00 23.11 O ATOM 0 H TYR A 72 12.203 -1.005 -35.519 1.00 23.13 H new ATOM 0 HA TYR A 72 10.518 1.266 -35.064 1.00 72.33 H new ATOM 0 HB2 TYR A 72 12.549 1.383 -36.432 1.00 62.53 H new ATOM 0 HB3 TYR A 72 11.923 0.168 -37.528 1.00 62.53 H new ATOM 0 HD1 TYR A 72 10.593 0.803 -39.385 1.00 13.23 H new ATOM 0 HD2 TYR A 72 11.247 3.614 -36.248 1.00 33.42 H new ATOM 0 HE1 TYR A 72 9.557 2.564 -40.747 1.00 74.45 H new ATOM 0 HE2 TYR A 72 10.206 5.374 -37.607 1.00 12.54 H new ATOM 0 HH TYR A 72 9.835 5.293 -40.762 1.00 23.11 H new ATOM 1070 N ARG A 73 9.457 -1.130 -37.086 1.00 65.44 N ATOM 1071 CA ARG A 73 8.265 -1.692 -37.710 1.00 14.13 C ATOM 1072 C ARG A 73 7.169 -1.927 -36.675 1.00 11.43 C ATOM 1073 O ARG A 73 5.982 -1.784 -36.968 1.00 2.21 O ATOM 1074 CB ARG A 73 8.605 -3.006 -38.416 1.00 24.52 C ATOM 1075 CG ARG A 73 8.128 -3.064 -39.858 1.00 20.20 C ATOM 1076 CD ARG A 73 9.252 -2.741 -40.830 1.00 62.31 C ATOM 1077 NE ARG A 73 9.233 -1.342 -41.245 1.00 14.20 N ATOM 1078 CZ ARG A 73 10.013 -0.847 -42.200 1.00 65.04 C ATOM 1079 NH1 ARG A 73 10.871 -1.635 -42.833 1.00 12.32 N1+ ATOM 1080 NH2 ARG A 73 9.937 0.437 -42.521 1.00 13.35 N ATOM 0 H ARG A 73 10.311 -1.661 -37.254 1.00 65.44 H new ATOM 0 HA ARG A 73 7.898 -0.976 -38.446 1.00 14.13 H new ATOM 0 HB2 ARG A 73 9.685 -3.152 -38.393 1.00 24.52 H new ATOM 0 HB3 ARG A 73 8.160 -3.832 -37.862 1.00 24.52 H new ATOM 0 HG2 ARG A 73 7.734 -4.058 -40.072 1.00 20.20 H new ATOM 0 HG3 ARG A 73 7.309 -2.359 -40.000 1.00 20.20 H new ATOM 0 HD2 ARG A 73 10.211 -2.967 -40.363 1.00 62.31 H new ATOM 0 HD3 ARG A 73 9.166 -3.381 -41.708 1.00 62.31 H new ATOM 0 HE ARG A 73 8.585 -0.709 -40.776 1.00 14.20 H new ATOM 0 HH11 ARG A 73 10.933 -2.623 -42.587 1.00 12.32 H new ATOM 0 HH12 ARG A 73 11.469 -1.253 -43.566 1.00 12.32 H new ATOM 0 HH21 ARG A 73 9.279 1.046 -42.035 1.00 13.35 H new ATOM 0 HH22 ARG A 73 10.536 0.816 -43.254 1.00 13.35 H new ATOM 1094 N LYS A 74 7.575 -2.289 -35.463 1.00 33.12 N ATOM 1095 CA LYS A 74 6.629 -2.543 -34.383 1.00 31.02 C ATOM 1096 C LYS A 74 6.126 -1.235 -33.780 1.00 63.21 C ATOM 1097 O LYS A 74 4.929 -1.072 -33.539 1.00 75.00 O ATOM 1098 CB LYS A 74 7.283 -3.400 -33.296 1.00 65.31 C ATOM 1099 CG LYS A 74 7.362 -4.875 -33.648 1.00 40.52 C ATOM 1100 CD LYS A 74 7.336 -5.748 -32.404 1.00 34.44 C ATOM 1101 CE LYS A 74 5.915 -5.971 -31.910 1.00 41.15 C ATOM 1102 NZ LYS A 74 5.882 -6.800 -30.672 1.00 30.01 N1+ ATOM 0 H LYS A 74 8.554 -2.413 -35.204 1.00 33.12 H new ATOM 0 HA LYS A 74 5.777 -3.081 -34.799 1.00 31.02 H new ATOM 0 HB2 LYS A 74 8.289 -3.026 -33.107 1.00 65.31 H new ATOM 0 HB3 LYS A 74 6.721 -3.286 -32.369 1.00 65.31 H new ATOM 0 HG2 LYS A 74 6.527 -5.140 -34.297 1.00 40.52 H new ATOM 0 HG3 LYS A 74 8.276 -5.067 -34.210 1.00 40.52 H new ATOM 0 HD2 LYS A 74 7.801 -6.709 -32.623 1.00 34.44 H new ATOM 0 HD3 LYS A 74 7.927 -5.280 -31.617 1.00 34.44 H new ATOM 0 HE2 LYS A 74 5.443 -5.008 -31.715 1.00 41.15 H new ATOM 0 HE3 LYS A 74 5.332 -6.460 -32.690 1.00 41.15 H new ATOM 0 HZ1 LYS A 74 4.896 -6.929 -30.367 1.00 30.01 H new ATOM 0 HZ2 LYS A 74 6.310 -7.728 -30.864 1.00 30.01 H new ATOM 0 HZ3 LYS A 74 6.417 -6.322 -29.919 1.00 30.01 H new ATOM 1116 N LEU A 75 7.045 -0.307 -33.542 1.00 52.50 N ATOM 1117 CA LEU A 75 6.695 0.988 -32.969 1.00 65.55 C ATOM 1118 C LEU A 75 5.775 1.765 -33.905 1.00 75.21 C ATOM 1119 O LEU A 75 5.061 2.672 -33.478 1.00 64.44 O ATOM 1120 CB LEU A 75 7.959 1.801 -32.686 1.00 21.23 C ATOM 1121 CG LEU A 75 8.438 1.814 -31.233 1.00 41.12 C ATOM 1122 CD1 LEU A 75 7.428 2.521 -30.344 1.00 62.14 C ATOM 1123 CD2 LEU A 75 8.683 0.394 -30.741 1.00 51.32 C ATOM 0 H LEU A 75 8.039 -0.427 -33.737 1.00 52.50 H new ATOM 0 HA LEU A 75 6.167 0.813 -32.032 1.00 65.55 H new ATOM 0 HB2 LEU A 75 8.764 1.412 -33.309 1.00 21.23 H new ATOM 0 HB3 LEU A 75 7.782 2.830 -32.999 1.00 21.23 H new ATOM 0 HG LEU A 75 9.379 2.362 -31.185 1.00 41.12 H new ATOM 0 HD11 LEU A 75 7.786 2.520 -29.314 1.00 62.14 H new ATOM 0 HD12 LEU A 75 7.301 3.549 -30.683 1.00 62.14 H new ATOM 0 HD13 LEU A 75 6.471 2.001 -30.396 1.00 62.14 H new ATOM 0 HD21 LEU A 75 9.023 0.421 -29.706 1.00 51.32 H new ATOM 0 HD22 LEU A 75 7.757 -0.178 -30.804 1.00 51.32 H new ATOM 0 HD23 LEU A 75 9.444 -0.080 -31.361 1.00 51.32 H new ATOM 1135 N GLY A 76 5.796 1.404 -35.184 1.00 21.42 N ATOM 1136 CA GLY A 76 4.958 2.076 -36.160 1.00 10.52 C ATOM 1137 C GLY A 76 5.686 2.343 -37.463 1.00 14.51 C ATOM 1138 O GLY A 76 6.807 2.851 -37.461 1.00 71.33 O ATOM 0 H GLY A 76 6.379 0.657 -35.562 1.00 21.42 H new ATOM 0 HA2 GLY A 76 4.076 1.467 -36.358 1.00 10.52 H new ATOM 0 HA3 GLY A 76 4.606 3.020 -35.744 1.00 10.52 H new ATOM 1142 N GLU A 77 5.048 1.999 -38.576 1.00 31.22 N ATOM 1143 CA GLU A 77 5.644 2.203 -39.891 1.00 3.31 C ATOM 1144 C GLU A 77 4.878 3.264 -40.677 1.00 55.51 C ATOM 1145 O GLU A 77 3.705 3.538 -40.419 1.00 65.31 O ATOM 1146 CB GLU A 77 5.666 0.889 -40.675 1.00 60.22 C ATOM 1147 CG GLU A 77 4.388 0.079 -40.541 1.00 64.43 C ATOM 1148 CD GLU A 77 4.400 -1.176 -41.393 1.00 52.41 C ATOM 1149 OE1 GLU A 77 4.459 -2.283 -40.818 1.00 31.24 O ATOM 1150 OE2 GLU A 77 4.353 -1.051 -42.635 1.00 22.41 O1- ATOM 0 H GLU A 77 4.119 1.578 -38.594 1.00 31.22 H new ATOM 0 HA GLU A 77 6.667 2.550 -39.748 1.00 3.31 H new ATOM 0 HB2 GLU A 77 5.839 1.107 -41.729 1.00 60.22 H new ATOM 0 HB3 GLU A 77 6.506 0.285 -40.332 1.00 60.22 H new ATOM 0 HG2 GLU A 77 4.245 -0.197 -39.496 1.00 64.43 H new ATOM 0 HG3 GLU A 77 3.538 0.699 -40.826 1.00 64.43 H new ATOM 1157 N PRO A 78 5.556 3.876 -41.659 1.00 13.34 N ATOM 1158 CA PRO A 78 4.959 4.917 -42.503 1.00 21.23 C ATOM 1159 C PRO A 78 3.900 4.360 -43.448 1.00 62.01 C ATOM 1160 O PRO A 78 3.600 3.166 -43.425 1.00 42.25 O ATOM 1161 CB PRO A 78 6.152 5.457 -43.296 1.00 40.44 C ATOM 1162 CG PRO A 78 7.128 4.332 -43.324 1.00 2.43 C ATOM 1163 CD PRO A 78 6.955 3.601 -42.023 1.00 41.44 C ATOM 0 HA PRO A 78 4.443 5.675 -41.913 1.00 21.23 H new ATOM 0 HB2 PRO A 78 5.857 5.751 -44.303 1.00 40.44 H new ATOM 0 HB3 PRO A 78 6.578 6.339 -42.818 1.00 40.44 H new ATOM 0 HG2 PRO A 78 6.938 3.672 -44.171 1.00 2.43 H new ATOM 0 HG3 PRO A 78 8.148 4.703 -43.431 1.00 2.43 H new ATOM 0 HD2 PRO A 78 7.138 2.532 -42.135 1.00 41.44 H new ATOM 0 HD3 PRO A 78 7.647 3.965 -41.263 1.00 41.44 H new ATOM 1171 N SER A 79 3.337 5.231 -44.279 1.00 1.54 N ATOM 1172 CA SER A 79 2.309 4.827 -45.230 1.00 22.12 C ATOM 1173 C SER A 79 2.896 4.664 -46.628 1.00 55.34 C ATOM 1174 O SER A 79 4.103 4.800 -46.827 1.00 42.34 O ATOM 1175 CB SER A 79 1.176 5.856 -45.256 1.00 75.41 C ATOM 1176 OG SER A 79 0.376 5.764 -44.089 1.00 71.31 O ATOM 0 H SER A 79 3.576 6.222 -44.313 1.00 1.54 H new ATOM 0 HA SER A 79 1.909 3.865 -44.909 1.00 22.12 H new ATOM 0 HB2 SER A 79 1.594 6.860 -45.336 1.00 75.41 H new ATOM 0 HB3 SER A 79 0.557 5.697 -46.139 1.00 75.41 H new ATOM 0 HG SER A 79 -0.339 6.433 -44.129 1.00 71.31 H new ATOM 1182 N ASP A 80 2.031 4.372 -47.595 1.00 2.42 N ATOM 1183 CA ASP A 80 2.463 4.191 -48.976 1.00 64.33 C ATOM 1184 C ASP A 80 3.220 5.417 -49.474 1.00 41.21 C ATOM 1185 O ASP A 80 4.262 5.298 -50.120 1.00 61.31 O ATOM 1186 CB ASP A 80 1.257 3.920 -49.878 1.00 42.53 C ATOM 1187 CG ASP A 80 1.589 2.982 -51.022 1.00 72.41 C ATOM 1188 OD1 ASP A 80 2.068 1.861 -50.750 1.00 61.52 O ATOM 1189 OD2 ASP A 80 1.369 3.368 -52.188 1.00 62.51 O1- ATOM 0 H ASP A 80 1.028 4.256 -47.448 1.00 2.42 H new ATOM 0 HA ASP A 80 3.134 3.333 -49.011 1.00 64.33 H new ATOM 0 HB2 ASP A 80 0.451 3.491 -49.283 1.00 42.53 H new ATOM 0 HB3 ASP A 80 0.889 4.864 -50.281 1.00 42.53 H new ATOM 1194 N LYS A 81 2.691 6.597 -49.170 1.00 63.24 N ATOM 1195 CA LYS A 81 3.315 7.847 -49.586 1.00 42.30 C ATOM 1196 C LYS A 81 4.773 7.903 -49.137 1.00 52.43 C ATOM 1197 O LYS A 81 5.680 8.019 -49.960 1.00 13.12 O ATOM 1198 CB LYS A 81 2.549 9.041 -49.012 1.00 24.44 C ATOM 1199 CG LYS A 81 3.098 10.387 -49.455 1.00 13.30 C ATOM 1200 CD LYS A 81 2.272 11.535 -48.901 1.00 11.42 C ATOM 1201 CE LYS A 81 2.745 12.875 -49.443 1.00 51.52 C ATOM 1202 NZ LYS A 81 3.671 13.559 -48.499 1.00 62.13 N1+ ATOM 0 H LYS A 81 1.830 6.714 -48.636 1.00 63.24 H new ATOM 0 HA LYS A 81 3.285 7.893 -50.675 1.00 42.30 H new ATOM 0 HB2 LYS A 81 1.503 8.969 -49.311 1.00 24.44 H new ATOM 0 HB3 LYS A 81 2.574 8.988 -47.924 1.00 24.44 H new ATOM 0 HG2 LYS A 81 4.131 10.487 -49.122 1.00 13.30 H new ATOM 0 HG3 LYS A 81 3.108 10.437 -50.544 1.00 13.30 H new ATOM 0 HD2 LYS A 81 1.223 11.387 -49.158 1.00 11.42 H new ATOM 0 HD3 LYS A 81 2.336 11.539 -47.813 1.00 11.42 H new ATOM 0 HE2 LYS A 81 3.247 12.724 -50.399 1.00 51.52 H new ATOM 0 HE3 LYS A 81 1.883 13.514 -49.634 1.00 51.52 H new ATOM 0 HZ1 LYS A 81 3.971 14.468 -48.905 1.00 62.13 H new ATOM 0 HZ2 LYS A 81 3.184 13.727 -47.595 1.00 62.13 H new ATOM 0 HZ3 LYS A 81 4.506 12.960 -48.337 1.00 62.13 H new ATOM 1216 N GLU A 82 4.988 7.817 -47.828 1.00 13.40 N ATOM 1217 CA GLU A 82 6.335 7.857 -47.272 1.00 22.15 C ATOM 1218 C GLU A 82 7.169 6.685 -47.780 1.00 24.23 C ATOM 1219 O GLU A 82 8.387 6.791 -47.924 1.00 2.21 O ATOM 1220 CB GLU A 82 6.280 7.833 -45.742 1.00 53.12 C ATOM 1221 CG GLU A 82 6.487 9.196 -45.104 1.00 71.53 C ATOM 1222 CD GLU A 82 5.408 10.190 -45.488 1.00 12.30 C ATOM 1223 OE1 GLU A 82 4.434 10.334 -44.719 1.00 14.14 O ATOM 1224 OE2 GLU A 82 5.536 10.822 -46.557 1.00 32.01 O1- ATOM 0 H GLU A 82 4.247 7.719 -47.134 1.00 13.40 H new ATOM 0 HA GLU A 82 6.807 8.784 -47.597 1.00 22.15 H new ATOM 0 HB2 GLU A 82 5.314 7.437 -45.428 1.00 53.12 H new ATOM 0 HB3 GLU A 82 7.042 7.148 -45.370 1.00 53.12 H new ATOM 0 HG2 GLU A 82 6.505 9.086 -44.020 1.00 71.53 H new ATOM 0 HG3 GLU A 82 7.460 9.588 -45.401 1.00 71.53 H new ATOM 1231 N TYR A 83 6.503 5.567 -48.050 1.00 32.52 N ATOM 1232 CA TYR A 83 7.182 4.373 -48.540 1.00 21.41 C ATOM 1233 C TYR A 83 7.895 4.654 -49.859 1.00 74.33 C ATOM 1234 O TYR A 83 9.100 4.442 -49.984 1.00 30.25 O ATOM 1235 CB TYR A 83 6.182 3.230 -48.721 1.00 60.15 C ATOM 1236 CG TYR A 83 6.318 2.137 -47.686 1.00 3.54 C ATOM 1237 CD1 TYR A 83 6.244 2.425 -46.327 1.00 33.43 C ATOM 1238 CD2 TYR A 83 6.523 0.816 -48.065 1.00 72.12 C ATOM 1239 CE1 TYR A 83 6.369 1.429 -45.379 1.00 3.43 C ATOM 1240 CE2 TYR A 83 6.647 -0.186 -47.122 1.00 71.42 C ATOM 1241 CZ TYR A 83 6.571 0.124 -45.780 1.00 11.20 C ATOM 1242 OH TYR A 83 6.695 -0.871 -44.838 1.00 41.13 O ATOM 0 H TYR A 83 5.495 5.463 -47.938 1.00 32.52 H new ATOM 0 HA TYR A 83 7.927 4.081 -47.800 1.00 21.41 H new ATOM 0 HB2 TYR A 83 5.170 3.634 -48.680 1.00 60.15 H new ATOM 0 HB3 TYR A 83 6.313 2.798 -49.713 1.00 60.15 H new ATOM 0 HD1 TYR A 83 6.086 3.445 -46.008 1.00 33.43 H new ATOM 0 HD2 TYR A 83 6.586 0.568 -49.114 1.00 72.12 H new ATOM 0 HE1 TYR A 83 6.309 1.670 -44.328 1.00 3.43 H new ATOM 0 HE2 TYR A 83 6.803 -1.208 -47.434 1.00 71.42 H new ATOM 0 HH TYR A 83 5.943 -0.824 -44.212 1.00 41.13 H new ATOM 1252 N ASP A 84 7.139 5.132 -50.842 1.00 24.14 N ATOM 1253 CA ASP A 84 7.696 5.444 -52.153 1.00 41.30 C ATOM 1254 C ASP A 84 8.669 6.615 -52.064 1.00 24.23 C ATOM 1255 O ASP A 84 9.713 6.620 -52.720 1.00 11.41 O ATOM 1256 CB ASP A 84 6.576 5.768 -53.142 1.00 33.25 C ATOM 1257 CG ASP A 84 6.900 5.317 -54.553 1.00 12.43 C ATOM 1258 OD1 ASP A 84 5.984 5.316 -55.402 1.00 71.12 O ATOM 1259 OD2 ASP A 84 8.071 4.966 -54.808 1.00 45.14 O1- ATOM 0 H ASP A 84 6.139 5.312 -50.755 1.00 24.14 H new ATOM 0 HA ASP A 84 8.241 4.569 -52.508 1.00 41.30 H new ATOM 0 HB2 ASP A 84 5.655 5.288 -52.813 1.00 33.25 H new ATOM 0 HB3 ASP A 84 6.393 6.843 -53.140 1.00 33.25 H new ATOM 1264 N LEU A 85 8.321 7.606 -51.251 1.00 20.31 N ATOM 1265 CA LEU A 85 9.164 8.785 -51.078 1.00 5.33 C ATOM 1266 C LEU A 85 10.574 8.388 -50.652 1.00 63.15 C ATOM 1267 O LEU A 85 11.558 8.800 -51.268 1.00 64.22 O ATOM 1268 CB LEU A 85 8.552 9.726 -50.039 1.00 32.10 C ATOM 1269 CG LEU A 85 7.641 10.826 -50.585 1.00 40.23 C ATOM 1270 CD1 LEU A 85 7.026 11.624 -49.446 1.00 13.40 C ATOM 1271 CD2 LEU A 85 8.413 11.742 -51.523 1.00 5.43 C ATOM 0 H LEU A 85 7.462 7.617 -50.701 1.00 20.31 H new ATOM 0 HA LEU A 85 9.225 9.301 -52.036 1.00 5.33 H new ATOM 0 HB2 LEU A 85 7.981 9.128 -49.328 1.00 32.10 H new ATOM 0 HB3 LEU A 85 9.362 10.196 -49.482 1.00 32.10 H new ATOM 0 HG LEU A 85 6.835 10.356 -51.149 1.00 40.23 H new ATOM 0 HD11 LEU A 85 6.381 12.402 -49.854 1.00 13.40 H new ATOM 0 HD12 LEU A 85 6.438 10.960 -48.813 1.00 13.40 H new ATOM 0 HD13 LEU A 85 7.818 12.083 -48.854 1.00 13.40 H new ATOM 0 HD21 LEU A 85 7.748 12.519 -51.902 1.00 5.43 H new ATOM 0 HD22 LEU A 85 9.239 12.203 -50.982 1.00 5.43 H new ATOM 0 HD23 LEU A 85 8.805 11.161 -52.358 1.00 5.43 H new ATOM 1283 N ILE A 86 10.664 7.585 -49.597 1.00 45.10 N ATOM 1284 CA ILE A 86 11.953 7.130 -49.092 1.00 32.42 C ATOM 1285 C ILE A 86 12.553 6.061 -49.999 1.00 52.13 C ATOM 1286 O ILE A 86 13.770 5.987 -50.169 1.00 14.31 O ATOM 1287 CB ILE A 86 11.832 6.567 -47.664 1.00 62.20 C ATOM 1288 CG1 ILE A 86 11.248 7.624 -46.723 1.00 10.12 C ATOM 1289 CG2 ILE A 86 13.188 6.096 -47.162 1.00 11.21 C ATOM 1290 CD1 ILE A 86 10.762 7.059 -45.407 1.00 63.41 C ATOM 0 H ILE A 86 9.860 7.236 -49.076 1.00 45.10 H new ATOM 0 HA ILE A 86 12.610 8.000 -49.076 1.00 32.42 H new ATOM 0 HB ILE A 86 11.157 5.711 -47.684 1.00 62.20 H new ATOM 0 HG12 ILE A 86 12.006 8.382 -46.526 1.00 10.12 H new ATOM 0 HG13 ILE A 86 10.419 8.125 -47.222 1.00 10.12 H new ATOM 0 HG21 ILE A 86 13.085 5.701 -46.151 1.00 11.21 H new ATOM 0 HG22 ILE A 86 13.568 5.315 -47.820 1.00 11.21 H new ATOM 0 HG23 ILE A 86 13.884 6.934 -47.154 1.00 11.21 H new ATOM 0 HD11 ILE A 86 10.361 7.864 -44.791 1.00 63.41 H new ATOM 0 HD12 ILE A 86 9.981 6.322 -45.594 1.00 63.41 H new ATOM 0 HD13 ILE A 86 11.593 6.583 -44.886 1.00 63.41 H new ATOM 1302 N ASP A 87 11.690 5.234 -50.580 1.00 50.21 N ATOM 1303 CA ASP A 87 12.134 4.170 -51.472 1.00 61.54 C ATOM 1304 C ASP A 87 12.854 4.745 -52.688 1.00 73.01 C ATOM 1305 O ASP A 87 13.578 4.035 -53.385 1.00 74.03 O ATOM 1306 CB ASP A 87 10.943 3.323 -51.923 1.00 35.13 C ATOM 1307 CG ASP A 87 11.342 2.233 -52.897 1.00 41.55 C ATOM 1308 OD1 ASP A 87 11.239 2.463 -54.121 1.00 61.45 O ATOM 1309 OD2 ASP A 87 11.760 1.150 -52.437 1.00 51.34 O1- ATOM 0 H ASP A 87 10.680 5.280 -50.449 1.00 50.21 H new ATOM 0 HA ASP A 87 12.833 3.538 -50.924 1.00 61.54 H new ATOM 0 HB2 ASP A 87 10.471 2.871 -51.050 1.00 35.13 H new ATOM 0 HB3 ASP A 87 10.198 3.968 -52.390 1.00 35.13 H new ATOM 1314 N GLN A 88 12.647 6.034 -52.937 1.00 32.35 N ATOM 1315 CA GLN A 88 13.275 6.703 -54.070 1.00 71.22 C ATOM 1316 C GLN A 88 14.749 6.980 -53.790 1.00 44.01 C ATOM 1317 O GLN A 88 15.557 7.084 -54.713 1.00 30.30 O ATOM 1318 CB GLN A 88 12.549 8.012 -54.383 1.00 71.55 C ATOM 1319 CG GLN A 88 13.125 9.217 -53.657 1.00 72.24 C ATOM 1320 CD GLN A 88 12.155 10.380 -53.595 1.00 74.11 C ATOM 1321 OE1 GLN A 88 11.993 11.013 -52.550 1.00 14.12 O ATOM 1322 NE2 GLN A 88 11.502 10.668 -54.715 1.00 31.43 N ATOM 0 H GLN A 88 12.050 6.636 -52.370 1.00 32.35 H new ATOM 0 HA GLN A 88 13.206 6.042 -54.934 1.00 71.22 H new ATOM 0 HB2 GLN A 88 12.590 8.192 -55.457 1.00 71.55 H new ATOM 0 HB3 GLN A 88 11.497 7.907 -54.117 1.00 71.55 H new ATOM 0 HG2 GLN A 88 13.404 8.927 -52.644 1.00 72.24 H new ATOM 0 HG3 GLN A 88 14.038 9.537 -54.159 1.00 72.24 H new ATOM 0 HE21 GLN A 88 11.667 10.117 -55.558 1.00 31.43 H new ATOM 0 HE22 GLN A 88 10.835 11.440 -54.733 1.00 31.43 H new ATOM 1331 N ALA A 89 15.091 7.100 -52.512 1.00 43.05 N ATOM 1332 CA ALA A 89 16.468 7.364 -52.111 1.00 33.15 C ATOM 1333 C ALA A 89 17.359 6.157 -52.383 1.00 24.14 C ATOM 1334 O ALA A 89 16.871 5.048 -52.599 1.00 71.13 O ATOM 1335 CB ALA A 89 16.525 7.744 -50.639 1.00 12.20 C ATOM 0 H ALA A 89 14.434 7.019 -51.736 1.00 43.05 H new ATOM 0 HA ALA A 89 16.840 8.199 -52.705 1.00 33.15 H new ATOM 0 HB1 ALA A 89 17.559 7.938 -50.353 1.00 12.20 H new ATOM 0 HB2 ALA A 89 15.928 8.640 -50.471 1.00 12.20 H new ATOM 0 HB3 ALA A 89 16.130 6.926 -50.037 1.00 12.20 H new ATOM 1341 N PHE A 90 18.669 6.381 -52.371 1.00 74.20 N ATOM 1342 CA PHE A 90 19.629 5.310 -52.618 1.00 75.52 C ATOM 1343 C PHE A 90 19.890 4.510 -51.347 1.00 71.45 C ATOM 1344 O PHE A 90 20.452 5.024 -50.381 1.00 12.24 O ATOM 1345 CB PHE A 90 20.943 5.889 -53.149 1.00 64.23 C ATOM 1346 CG PHE A 90 20.753 6.915 -54.229 1.00 13.13 C ATOM 1347 CD1 PHE A 90 19.872 6.687 -55.274 1.00 30.42 C ATOM 1348 CD2 PHE A 90 21.456 8.109 -54.200 1.00 65.35 C ATOM 1349 CE1 PHE A 90 19.694 7.630 -56.269 1.00 45.43 C ATOM 1350 CE2 PHE A 90 21.283 9.056 -55.192 1.00 31.34 C ATOM 1351 CZ PHE A 90 20.402 8.815 -56.228 1.00 1.02 C ATOM 0 H PHE A 90 19.090 7.293 -52.193 1.00 74.20 H new ATOM 0 HA PHE A 90 19.205 4.640 -53.366 1.00 75.52 H new ATOM 0 HB2 PHE A 90 21.492 6.340 -52.323 1.00 64.23 H new ATOM 0 HB3 PHE A 90 21.559 5.077 -53.535 1.00 64.23 H new ATOM 0 HD1 PHE A 90 19.317 5.761 -55.312 1.00 30.42 H new ATOM 0 HD2 PHE A 90 22.147 8.302 -53.393 1.00 65.35 H new ATOM 0 HE1 PHE A 90 19.003 7.440 -57.077 1.00 45.43 H new ATOM 0 HE2 PHE A 90 21.836 9.983 -55.157 1.00 31.34 H new ATOM 0 HZ PHE A 90 20.267 9.553 -57.005 1.00 1.02 H new ATOM 1361 N GLY A 91 19.476 3.246 -51.355 1.00 12.51 N ATOM 1362 CA GLY A 91 19.672 2.393 -50.197 1.00 14.41 C ATOM 1363 C GLY A 91 19.155 3.023 -48.919 1.00 73.13 C ATOM 1364 O GLY A 91 19.794 2.932 -47.872 1.00 4.35 O ATOM 0 H GLY A 91 19.008 2.798 -52.143 1.00 12.51 H new ATOM 0 HA2 GLY A 91 19.165 1.442 -50.360 1.00 14.41 H new ATOM 0 HA3 GLY A 91 20.734 2.174 -50.087 1.00 14.41 H new ATOM 1368 N ALA A 92 17.994 3.666 -49.005 1.00 4.24 N ATOM 1369 CA ALA A 92 17.392 4.313 -47.845 1.00 70.22 C ATOM 1370 C ALA A 92 16.205 3.510 -47.324 1.00 24.25 C ATOM 1371 O ALA A 92 15.283 3.186 -48.073 1.00 13.15 O ATOM 1372 CB ALA A 92 16.961 5.729 -48.197 1.00 0.13 C ATOM 0 H ALA A 92 17.452 3.753 -49.865 1.00 4.24 H new ATOM 0 HA ALA A 92 18.141 4.359 -47.054 1.00 70.22 H new ATOM 0 HB1 ALA A 92 16.513 6.201 -47.323 1.00 0.13 H new ATOM 0 HB2 ALA A 92 17.830 6.305 -48.515 1.00 0.13 H new ATOM 0 HB3 ALA A 92 16.231 5.697 -49.006 1.00 0.13 H new ATOM 1378 N THR A 93 16.234 3.191 -46.034 1.00 45.11 N ATOM 1379 CA THR A 93 15.161 2.423 -45.413 1.00 43.04 C ATOM 1380 C THR A 93 14.206 3.334 -44.650 1.00 51.13 C ATOM 1381 O THR A 93 14.610 4.365 -44.113 1.00 12.44 O ATOM 1382 CB THR A 93 15.718 1.359 -44.448 1.00 14.42 C ATOM 1383 OG1 THR A 93 17.040 0.980 -44.846 1.00 31.50 O ATOM 1384 CG2 THR A 93 14.820 0.132 -44.421 1.00 75.11 C ATOM 0 H THR A 93 16.988 3.452 -45.399 1.00 45.11 H new ATOM 0 HA THR A 93 14.620 1.925 -46.218 1.00 43.04 H new ATOM 0 HB THR A 93 15.750 1.789 -43.447 1.00 14.42 H new ATOM 0 HG1 THR A 93 17.387 0.305 -44.226 1.00 31.50 H new ATOM 0 HG21 THR A 93 15.233 -0.606 -43.733 1.00 75.11 H new ATOM 0 HG22 THR A 93 13.822 0.419 -44.090 1.00 75.11 H new ATOM 0 HG23 THR A 93 14.761 -0.298 -45.421 1.00 75.11 H new ATOM 1392 N GLY A 94 12.935 2.946 -44.605 1.00 64.34 N ATOM 1393 CA GLY A 94 11.942 3.738 -43.904 1.00 73.52 C ATOM 1394 C GLY A 94 12.316 3.990 -42.458 1.00 11.42 C ATOM 1395 O GLY A 94 11.883 4.975 -41.858 1.00 75.13 O ATOM 0 H GLY A 94 12.576 2.097 -45.042 1.00 64.34 H new ATOM 0 HA2 GLY A 94 11.817 4.693 -44.415 1.00 73.52 H new ATOM 0 HA3 GLY A 94 10.980 3.227 -43.943 1.00 73.52 H new ATOM 1399 N THR A 95 13.122 3.097 -41.893 1.00 3.02 N ATOM 1400 CA THR A 95 13.553 3.226 -40.506 1.00 45.00 C ATOM 1401 C THR A 95 14.595 4.328 -40.353 1.00 1.41 C ATOM 1402 O THR A 95 15.062 4.605 -39.249 1.00 53.40 O ATOM 1403 CB THR A 95 14.138 1.904 -39.974 1.00 64.24 C ATOM 1404 OG1 THR A 95 15.436 1.681 -40.538 1.00 24.23 O ATOM 1405 CG2 THR A 95 13.226 0.733 -40.311 1.00 23.25 C ATOM 0 H THR A 95 13.490 2.276 -42.374 1.00 3.02 H new ATOM 0 HA THR A 95 12.668 3.484 -39.924 1.00 45.00 H new ATOM 0 HB THR A 95 14.220 1.979 -38.890 1.00 64.24 H new ATOM 0 HG1 THR A 95 15.802 0.840 -40.194 1.00 24.23 H new ATOM 0 HG21 THR A 95 13.660 -0.189 -39.925 1.00 23.25 H new ATOM 0 HG22 THR A 95 12.248 0.891 -39.857 1.00 23.25 H new ATOM 0 HG23 THR A 95 13.116 0.657 -41.393 1.00 23.25 H new ATOM 1413 N SER A 96 14.955 4.954 -41.469 1.00 4.44 N ATOM 1414 CA SER A 96 15.945 6.024 -41.460 1.00 60.11 C ATOM 1415 C SER A 96 15.275 7.382 -41.269 1.00 71.41 C ATOM 1416 O SER A 96 15.943 8.385 -41.015 1.00 10.54 O ATOM 1417 CB SER A 96 16.746 6.018 -42.763 1.00 33.34 C ATOM 1418 OG SER A 96 17.993 6.671 -42.598 1.00 54.01 O ATOM 0 H SER A 96 14.576 4.738 -42.391 1.00 4.44 H new ATOM 0 HA SER A 96 16.623 5.851 -40.624 1.00 60.11 H new ATOM 0 HB2 SER A 96 16.910 4.991 -43.088 1.00 33.34 H new ATOM 0 HB3 SER A 96 16.174 6.513 -43.548 1.00 33.34 H new ATOM 0 HG SER A 96 17.876 7.461 -42.030 1.00 54.01 H new ATOM 1424 N ARG A 97 13.952 7.405 -41.391 1.00 14.14 N ATOM 1425 CA ARG A 97 13.191 8.638 -41.233 1.00 44.44 C ATOM 1426 C ARG A 97 12.733 8.812 -39.788 1.00 41.24 C ATOM 1427 O ARG A 97 12.832 7.890 -38.978 1.00 64.24 O ATOM 1428 CB ARG A 97 11.980 8.638 -42.167 1.00 70.20 C ATOM 1429 CG ARG A 97 11.549 10.028 -42.607 1.00 33.41 C ATOM 1430 CD ARG A 97 10.751 9.982 -43.899 1.00 21.13 C ATOM 1431 NE ARG A 97 10.306 11.309 -44.316 1.00 44.32 N ATOM 1432 CZ ARG A 97 9.299 11.960 -43.744 1.00 45.23 C ATOM 1433 NH1 ARG A 97 8.636 11.408 -42.738 1.00 54.10 N1+ ATOM 1434 NH2 ARG A 97 8.953 13.165 -44.180 1.00 33.05 N ATOM 0 H ARG A 97 13.385 6.583 -41.599 1.00 14.14 H new ATOM 0 HA ARG A 97 13.841 9.473 -41.493 1.00 44.44 H new ATOM 0 HB2 ARG A 97 12.213 8.043 -43.050 1.00 70.20 H new ATOM 0 HB3 ARG A 97 11.145 8.150 -41.665 1.00 70.20 H new ATOM 0 HG2 ARG A 97 10.948 10.488 -41.823 1.00 33.41 H new ATOM 0 HG3 ARG A 97 12.429 10.656 -42.744 1.00 33.41 H new ATOM 0 HD2 ARG A 97 11.362 9.541 -44.687 1.00 21.13 H new ATOM 0 HD3 ARG A 97 9.884 9.334 -43.767 1.00 21.13 H new ATOM 0 HE ARG A 97 10.795 11.761 -45.089 1.00 44.32 H new ATOM 0 HH11 ARG A 97 8.899 10.482 -42.401 1.00 54.10 H new ATOM 0 HH12 ARG A 97 7.863 11.910 -42.300 1.00 54.10 H new ATOM 0 HH21 ARG A 97 9.460 13.592 -44.955 1.00 33.05 H new ATOM 0 HH22 ARG A 97 8.180 13.664 -43.740 1.00 33.05 H new ATOM 1448 N LEU A 98 12.231 10.001 -39.471 1.00 2.12 N ATOM 1449 CA LEU A 98 11.758 10.297 -38.124 1.00 73.45 C ATOM 1450 C LEU A 98 10.815 9.206 -37.625 1.00 21.34 C ATOM 1451 O LEU A 98 10.070 8.612 -38.404 1.00 13.34 O ATOM 1452 CB LEU A 98 11.047 11.651 -38.098 1.00 23.22 C ATOM 1453 CG LEU A 98 10.196 11.939 -36.861 1.00 64.21 C ATOM 1454 CD1 LEU A 98 11.064 11.978 -35.613 1.00 54.22 C ATOM 1455 CD2 LEU A 98 9.439 13.250 -37.028 1.00 44.21 C ATOM 0 H LEU A 98 12.141 10.775 -40.129 1.00 2.12 H new ATOM 0 HA LEU A 98 12.623 10.334 -37.462 1.00 73.45 H new ATOM 0 HB2 LEU A 98 11.799 12.435 -38.188 1.00 23.22 H new ATOM 0 HB3 LEU A 98 10.408 11.720 -38.978 1.00 23.22 H new ATOM 0 HG LEU A 98 9.469 11.134 -36.748 1.00 64.21 H new ATOM 0 HD11 LEU A 98 10.441 12.184 -34.743 1.00 54.22 H new ATOM 0 HD12 LEU A 98 11.560 11.016 -35.484 1.00 54.22 H new ATOM 0 HD13 LEU A 98 11.814 12.762 -35.716 1.00 54.22 H new ATOM 0 HD21 LEU A 98 8.838 13.439 -36.138 1.00 44.21 H new ATOM 0 HD22 LEU A 98 10.149 14.065 -37.167 1.00 44.21 H new ATOM 0 HD23 LEU A 98 8.787 13.185 -37.899 1.00 44.21 H new ATOM 1467 N GLY A 99 10.851 8.950 -36.322 1.00 65.55 N ATOM 1468 CA GLY A 99 9.994 7.933 -35.741 1.00 71.01 C ATOM 1469 C GLY A 99 10.224 7.761 -34.253 1.00 52.33 C ATOM 1470 O GLY A 99 10.102 6.656 -33.721 1.00 62.04 O ATOM 0 H GLY A 99 11.459 9.429 -35.657 1.00 65.55 H new ATOM 0 HA2 GLY A 99 8.951 8.198 -35.916 1.00 71.01 H new ATOM 0 HA3 GLY A 99 10.170 6.983 -36.245 1.00 71.01 H new ATOM 1474 N CYS A 100 10.559 8.855 -33.578 1.00 23.20 N ATOM 1475 CA CYS A 100 10.809 8.821 -32.141 1.00 42.23 C ATOM 1476 C CYS A 100 9.712 9.562 -31.382 1.00 61.43 C ATOM 1477 O CYS A 100 9.261 10.626 -31.805 1.00 22.54 O ATOM 1478 CB CYS A 100 12.171 9.441 -31.825 1.00 12.14 C ATOM 1479 SG CYS A 100 12.394 11.124 -32.485 1.00 33.11 S ATOM 0 H CYS A 100 10.664 9.777 -34.002 1.00 23.20 H new ATOM 0 HA CYS A 100 10.809 7.779 -31.821 1.00 42.23 H new ATOM 0 HB2 CYS A 100 12.305 9.466 -30.744 1.00 12.14 H new ATOM 0 HB3 CYS A 100 12.953 8.798 -32.228 1.00 12.14 H new ATOM 0 HG CYS A 100 11.251 11.743 -32.490 1.00 33.11 H new ATOM 1484 N GLN A 101 9.289 8.991 -30.258 1.00 51.23 N ATOM 1485 CA GLN A 101 8.246 9.597 -29.440 1.00 32.50 C ATOM 1486 C GLN A 101 8.797 10.025 -28.084 1.00 24.44 C ATOM 1487 O GLN A 101 8.045 10.425 -27.195 1.00 62.34 O ATOM 1488 CB GLN A 101 7.087 8.618 -29.247 1.00 54.33 C ATOM 1489 CG GLN A 101 6.651 7.930 -30.530 1.00 51.15 C ATOM 1490 CD GLN A 101 6.423 8.907 -31.667 1.00 64.22 C ATOM 1491 OE1 GLN A 101 7.076 8.827 -32.708 1.00 14.41 O ATOM 1492 NE2 GLN A 101 5.493 9.834 -31.473 1.00 64.44 N ATOM 0 H GLN A 101 9.653 8.110 -29.894 1.00 51.23 H new ATOM 0 HA GLN A 101 7.881 10.483 -29.959 1.00 32.50 H new ATOM 0 HB2 GLN A 101 7.380 7.861 -28.520 1.00 54.33 H new ATOM 0 HB3 GLN A 101 6.237 9.153 -28.825 1.00 54.33 H new ATOM 0 HG2 GLN A 101 7.410 7.205 -30.825 1.00 51.15 H new ATOM 0 HG3 GLN A 101 5.733 7.373 -30.345 1.00 51.15 H new ATOM 0 HE21 GLN A 101 4.976 9.862 -30.594 1.00 64.44 H new ATOM 0 HE22 GLN A 101 5.295 10.518 -32.203 1.00 64.44 H new ATOM 1501 N LEU A 102 10.114 9.937 -27.932 1.00 65.25 N ATOM 1502 CA LEU A 102 10.766 10.316 -26.683 1.00 63.32 C ATOM 1503 C LEU A 102 10.115 9.617 -25.495 1.00 43.03 C ATOM 1504 O LEU A 102 9.674 10.266 -24.546 1.00 43.45 O ATOM 1505 CB LEU A 102 10.708 11.832 -26.493 1.00 54.24 C ATOM 1506 CG LEU A 102 11.754 12.645 -27.257 1.00 12.13 C ATOM 1507 CD1 LEU A 102 13.158 12.224 -26.852 1.00 65.13 C ATOM 1508 CD2 LEU A 102 11.560 12.487 -28.759 1.00 5.14 C ATOM 0 H LEU A 102 10.751 9.607 -28.657 1.00 65.25 H new ATOM 0 HA LEU A 102 11.809 10.004 -26.737 1.00 63.32 H new ATOM 0 HB2 LEU A 102 9.719 12.178 -26.792 1.00 54.24 H new ATOM 0 HB3 LEU A 102 10.814 12.049 -25.430 1.00 54.24 H new ATOM 0 HG LEU A 102 11.625 13.697 -27.003 1.00 12.13 H new ATOM 0 HD11 LEU A 102 13.889 12.813 -27.406 1.00 65.13 H new ATOM 0 HD12 LEU A 102 13.293 12.390 -25.783 1.00 65.13 H new ATOM 0 HD13 LEU A 102 13.300 11.167 -27.076 1.00 65.13 H new ATOM 0 HD21 LEU A 102 12.313 13.072 -29.287 1.00 5.14 H new ATOM 0 HD22 LEU A 102 11.661 11.436 -29.030 1.00 5.14 H new ATOM 0 HD23 LEU A 102 10.567 12.839 -29.037 1.00 5.14 H new ATOM 1520 N ARG A 103 10.059 8.291 -25.552 1.00 52.25 N ATOM 1521 CA ARG A 103 9.462 7.504 -24.480 1.00 12.23 C ATOM 1522 C ARG A 103 10.083 6.111 -24.416 1.00 22.20 C ATOM 1523 O ARG A 103 10.125 5.392 -25.415 1.00 3.34 O ATOM 1524 CB ARG A 103 7.950 7.391 -24.682 1.00 33.05 C ATOM 1525 CG ARG A 103 7.202 6.923 -23.445 1.00 62.04 C ATOM 1526 CD ARG A 103 5.839 7.587 -23.332 1.00 70.21 C ATOM 1527 NE ARG A 103 4.805 6.838 -24.040 1.00 53.42 N ATOM 1528 CZ ARG A 103 3.622 7.346 -24.365 1.00 21.50 C ATOM 1529 NH1 ARG A 103 3.325 8.598 -24.049 1.00 52.01 N1+ ATOM 1530 NH2 ARG A 103 2.734 6.600 -25.010 1.00 43.51 N ATOM 0 H ARG A 103 10.420 7.739 -26.330 1.00 52.25 H new ATOM 0 HA ARG A 103 9.659 8.014 -23.537 1.00 12.23 H new ATOM 0 HB2 ARG A 103 7.559 8.362 -24.986 1.00 33.05 H new ATOM 0 HB3 ARG A 103 7.752 6.698 -25.499 1.00 33.05 H new ATOM 0 HG2 ARG A 103 7.078 5.841 -23.481 1.00 62.04 H new ATOM 0 HG3 ARG A 103 7.792 7.147 -22.556 1.00 62.04 H new ATOM 0 HD2 ARG A 103 5.566 7.677 -22.281 1.00 70.21 H new ATOM 0 HD3 ARG A 103 5.894 8.598 -23.735 1.00 70.21 H new ATOM 0 HE ARG A 103 5.002 5.871 -24.299 1.00 53.42 H new ATOM 0 HH11 ARG A 103 4.006 9.175 -23.555 1.00 52.01 H new ATOM 0 HH12 ARG A 103 2.415 8.985 -24.300 1.00 52.01 H new ATOM 0 HH21 ARG A 103 2.960 5.636 -25.256 1.00 43.51 H new ATOM 0 HH22 ARG A 103 1.825 6.990 -25.260 1.00 43.51 H new ATOM 1544 N VAL A 104 10.565 5.738 -23.235 1.00 21.01 N ATOM 1545 CA VAL A 104 11.184 4.431 -23.041 1.00 23.15 C ATOM 1546 C VAL A 104 10.190 3.435 -22.451 1.00 51.50 C ATOM 1547 O VAL A 104 9.661 3.644 -21.360 1.00 20.41 O ATOM 1548 CB VAL A 104 12.411 4.524 -22.116 1.00 3.52 C ATOM 1549 CG1 VAL A 104 13.087 3.167 -21.987 1.00 0.25 C ATOM 1550 CG2 VAL A 104 13.389 5.569 -22.632 1.00 72.24 C ATOM 0 H VAL A 104 10.539 6.321 -22.399 1.00 21.01 H new ATOM 0 HA VAL A 104 11.504 4.082 -24.023 1.00 23.15 H new ATOM 0 HB VAL A 104 12.075 4.831 -21.126 1.00 3.52 H new ATOM 0 HG11 VAL A 104 13.952 3.253 -21.329 1.00 0.25 H new ATOM 0 HG12 VAL A 104 12.383 2.448 -21.568 1.00 0.25 H new ATOM 0 HG13 VAL A 104 13.411 2.827 -22.971 1.00 0.25 H new ATOM 0 HG21 VAL A 104 14.250 5.621 -21.966 1.00 72.24 H new ATOM 0 HG22 VAL A 104 13.721 5.294 -23.633 1.00 72.24 H new ATOM 0 HG23 VAL A 104 12.898 6.541 -22.667 1.00 72.24 H new ATOM 1560 N ASP A 105 9.944 2.353 -23.181 1.00 71.13 N ATOM 1561 CA ASP A 105 9.016 1.323 -22.730 1.00 40.04 C ATOM 1562 C ASP A 105 9.600 -0.069 -22.950 1.00 72.04 C ATOM 1563 O ASP A 105 10.739 -0.213 -23.394 1.00 10.30 O ATOM 1564 CB ASP A 105 7.680 1.451 -23.465 1.00 44.20 C ATOM 1565 CG ASP A 105 6.500 1.076 -22.592 1.00 65.14 C ATOM 1566 OD1 ASP A 105 6.126 -0.115 -22.578 1.00 23.23 O ATOM 1567 OD2 ASP A 105 5.949 1.975 -21.922 1.00 33.31 O1- ATOM 0 H ASP A 105 10.374 2.166 -24.087 1.00 71.13 H new ATOM 0 HA ASP A 105 8.849 1.463 -21.662 1.00 40.04 H new ATOM 0 HB2 ASP A 105 7.558 2.476 -23.815 1.00 44.20 H new ATOM 0 HB3 ASP A 105 7.692 0.812 -24.348 1.00 44.20 H new ATOM 1572 N LYS A 106 8.812 -1.092 -22.636 1.00 24.41 N ATOM 1573 CA LYS A 106 9.250 -2.474 -22.799 1.00 72.51 C ATOM 1574 C LYS A 106 9.665 -2.747 -24.241 1.00 64.01 C ATOM 1575 O LYS A 106 10.605 -3.498 -24.495 1.00 34.22 O ATOM 1576 CB LYS A 106 8.133 -3.436 -22.387 1.00 13.33 C ATOM 1577 CG LYS A 106 8.457 -4.895 -22.659 1.00 33.41 C ATOM 1578 CD LYS A 106 7.352 -5.813 -22.164 1.00 30.24 C ATOM 1579 CE LYS A 106 6.130 -5.752 -23.068 1.00 13.42 C ATOM 1580 NZ LYS A 106 4.935 -6.367 -22.427 1.00 24.12 N1+ ATOM 0 H LYS A 106 7.867 -0.990 -22.267 1.00 24.41 H new ATOM 0 HA LYS A 106 10.115 -2.634 -22.155 1.00 72.51 H new ATOM 0 HB2 LYS A 106 7.930 -3.310 -21.324 1.00 13.33 H new ATOM 0 HB3 LYS A 106 7.220 -3.170 -22.920 1.00 13.33 H new ATOM 0 HG2 LYS A 106 8.602 -5.043 -23.729 1.00 33.41 H new ATOM 0 HG3 LYS A 106 9.395 -5.157 -22.171 1.00 33.41 H new ATOM 0 HD2 LYS A 106 7.722 -6.837 -22.119 1.00 30.24 H new ATOM 0 HD3 LYS A 106 7.070 -5.531 -21.150 1.00 30.24 H new ATOM 0 HE2 LYS A 106 5.914 -4.713 -23.317 1.00 13.42 H new ATOM 0 HE3 LYS A 106 6.345 -6.267 -24.005 1.00 13.42 H new ATOM 0 HZ1 LYS A 106 4.124 -6.306 -23.075 1.00 24.12 H new ATOM 0 HZ2 LYS A 106 5.132 -7.365 -22.212 1.00 24.12 H new ATOM 0 HZ3 LYS A 106 4.714 -5.860 -21.546 1.00 24.12 H new ATOM 1594 N SER A 107 8.957 -2.129 -25.183 1.00 1.32 N ATOM 1595 CA SER A 107 9.250 -2.308 -26.600 1.00 32.25 C ATOM 1596 C SER A 107 10.629 -1.751 -26.943 1.00 64.51 C ATOM 1597 O SER A 107 11.251 -2.164 -27.921 1.00 35.32 O ATOM 1598 CB SER A 107 8.183 -1.621 -27.454 1.00 25.21 C ATOM 1599 OG SER A 107 6.880 -1.960 -27.012 1.00 60.12 O ATOM 0 H SER A 107 8.177 -1.501 -24.990 1.00 1.32 H new ATOM 0 HA SER A 107 9.244 -3.376 -26.815 1.00 32.25 H new ATOM 0 HB2 SER A 107 8.316 -0.540 -27.408 1.00 25.21 H new ATOM 0 HB3 SER A 107 8.304 -1.913 -28.497 1.00 25.21 H new ATOM 0 HG SER A 107 6.216 -1.507 -27.573 1.00 60.12 H new ATOM 1605 N PHE A 108 11.099 -0.810 -26.131 1.00 54.12 N ATOM 1606 CA PHE A 108 12.403 -0.195 -26.348 1.00 31.34 C ATOM 1607 C PHE A 108 13.518 -1.069 -25.783 1.00 52.43 C ATOM 1608 O PHE A 108 14.695 -0.717 -25.856 1.00 20.31 O ATOM 1609 CB PHE A 108 12.450 1.192 -25.702 1.00 33.33 C ATOM 1610 CG PHE A 108 11.939 2.286 -26.595 1.00 11.41 C ATOM 1611 CD1 PHE A 108 12.626 3.484 -26.707 1.00 41.10 C ATOM 1612 CD2 PHE A 108 10.770 2.118 -27.319 1.00 23.10 C ATOM 1613 CE1 PHE A 108 12.158 4.494 -27.528 1.00 64.01 C ATOM 1614 CE2 PHE A 108 10.298 3.124 -28.142 1.00 0.32 C ATOM 1615 CZ PHE A 108 10.992 4.313 -28.245 1.00 71.21 C ATOM 0 H PHE A 108 10.596 -0.457 -25.317 1.00 54.12 H new ATOM 0 HA PHE A 108 12.554 -0.094 -27.423 1.00 31.34 H new ATOM 0 HB2 PHE A 108 11.861 1.177 -24.785 1.00 33.33 H new ATOM 0 HB3 PHE A 108 13.478 1.417 -25.417 1.00 33.33 H new ATOM 0 HD1 PHE A 108 13.538 3.631 -26.147 1.00 41.10 H new ATOM 0 HD2 PHE A 108 10.221 1.191 -27.240 1.00 23.10 H new ATOM 0 HE1 PHE A 108 12.704 5.423 -27.608 1.00 64.01 H new ATOM 0 HE2 PHE A 108 9.387 2.980 -28.704 1.00 0.32 H new ATOM 0 HZ PHE A 108 10.623 5.101 -28.886 1.00 71.21 H new ATOM 1625 N GLU A 109 13.138 -2.212 -25.220 1.00 45.42 N ATOM 1626 CA GLU A 109 14.106 -3.137 -24.641 1.00 14.13 C ATOM 1627 C GLU A 109 15.174 -3.516 -25.663 1.00 53.04 C ATOM 1628 O GLU A 109 14.872 -4.082 -26.712 1.00 0.14 O ATOM 1629 CB GLU A 109 13.401 -4.396 -24.134 1.00 15.44 C ATOM 1630 CG GLU A 109 14.311 -5.331 -23.354 1.00 21.13 C ATOM 1631 CD GLU A 109 13.570 -6.524 -22.784 1.00 40.23 C ATOM 1632 OE1 GLU A 109 12.969 -7.281 -23.573 1.00 23.25 O ATOM 1633 OE2 GLU A 109 13.591 -6.701 -21.547 1.00 62.22 O1- ATOM 0 H GLU A 109 12.168 -2.519 -25.153 1.00 45.42 H new ATOM 0 HA GLU A 109 14.591 -2.638 -23.802 1.00 14.13 H new ATOM 0 HB2 GLU A 109 12.565 -4.103 -23.499 1.00 15.44 H new ATOM 0 HB3 GLU A 109 12.983 -4.935 -24.984 1.00 15.44 H new ATOM 0 HG2 GLU A 109 15.110 -5.682 -24.007 1.00 21.13 H new ATOM 0 HG3 GLU A 109 14.783 -4.779 -22.541 1.00 21.13 H new ATOM 1640 N ASN A 110 16.426 -3.196 -25.348 1.00 40.22 N ATOM 1641 CA ASN A 110 17.540 -3.502 -26.238 1.00 12.52 C ATOM 1642 C ASN A 110 17.382 -2.783 -27.574 1.00 14.11 C ATOM 1643 O ASN A 110 17.957 -3.190 -28.583 1.00 14.41 O ATOM 1644 CB ASN A 110 17.638 -5.010 -26.468 1.00 53.45 C ATOM 1645 CG ASN A 110 18.626 -5.676 -25.528 1.00 14.25 C ATOM 1646 OD1 ASN A 110 19.800 -5.310 -25.484 1.00 53.03 O ATOM 1647 ND2 ASN A 110 18.152 -6.659 -24.771 1.00 13.04 N ATOM 0 H ASN A 110 16.694 -2.725 -24.484 1.00 40.22 H new ATOM 0 HA ASN A 110 18.457 -3.153 -25.763 1.00 12.52 H new ATOM 0 HB2 ASN A 110 16.654 -5.460 -26.335 1.00 53.45 H new ATOM 0 HB3 ASN A 110 17.938 -5.199 -27.499 1.00 53.45 H new ATOM 0 HD21 ASN A 110 18.769 -7.144 -24.120 1.00 13.04 H new ATOM 0 HD22 ASN A 110 17.171 -6.929 -24.841 1.00 13.04 H new ATOM 1654 N ALA A 111 16.598 -1.708 -27.572 1.00 11.53 N ATOM 1655 CA ALA A 111 16.366 -0.931 -28.783 1.00 33.33 C ATOM 1656 C ALA A 111 17.680 -0.442 -29.382 1.00 12.12 C ATOM 1657 O ALA A 111 18.623 -0.123 -28.657 1.00 32.25 O ATOM 1658 CB ALA A 111 15.449 0.246 -28.487 1.00 12.32 C ATOM 0 H ALA A 111 16.114 -1.357 -26.746 1.00 11.53 H new ATOM 0 HA ALA A 111 15.883 -1.580 -29.514 1.00 33.33 H new ATOM 0 HB1 ALA A 111 15.284 0.818 -29.400 1.00 12.32 H new ATOM 0 HB2 ALA A 111 14.494 -0.122 -28.112 1.00 12.32 H new ATOM 0 HB3 ALA A 111 15.911 0.887 -27.736 1.00 12.32 H new ATOM 1664 N VAL A 112 17.736 -0.385 -30.709 1.00 73.01 N ATOM 1665 CA VAL A 112 18.935 0.066 -31.405 1.00 70.21 C ATOM 1666 C VAL A 112 18.668 1.347 -32.187 1.00 23.10 C ATOM 1667 O VAL A 112 17.879 1.359 -33.130 1.00 15.11 O ATOM 1668 CB VAL A 112 19.461 -1.012 -32.372 1.00 32.45 C ATOM 1669 CG1 VAL A 112 20.827 -0.622 -32.915 1.00 55.14 C ATOM 1670 CG2 VAL A 112 19.520 -2.365 -31.679 1.00 42.04 C ATOM 0 H VAL A 112 16.965 -0.646 -31.323 1.00 73.01 H new ATOM 0 HA VAL A 112 19.689 0.260 -30.643 1.00 70.21 H new ATOM 0 HB VAL A 112 18.771 -1.089 -33.213 1.00 32.45 H new ATOM 0 HG11 VAL A 112 21.182 -1.395 -33.596 1.00 55.14 H new ATOM 0 HG12 VAL A 112 20.749 0.325 -33.450 1.00 55.14 H new ATOM 0 HG13 VAL A 112 21.530 -0.515 -32.089 1.00 55.14 H new ATOM 0 HG21 VAL A 112 19.894 -3.115 -32.376 1.00 42.04 H new ATOM 0 HG22 VAL A 112 20.187 -2.305 -30.819 1.00 42.04 H new ATOM 0 HG23 VAL A 112 18.521 -2.646 -31.344 1.00 42.04 H new ATOM 1680 N PHE A 113 19.333 2.426 -31.787 1.00 22.12 N ATOM 1681 CA PHE A 113 19.167 3.714 -32.450 1.00 61.43 C ATOM 1682 C PHE A 113 20.433 4.103 -33.207 1.00 43.11 C ATOM 1683 O PHE A 113 21.385 4.622 -32.625 1.00 11.30 O ATOM 1684 CB PHE A 113 18.820 4.798 -31.426 1.00 14.33 C ATOM 1685 CG PHE A 113 17.581 4.496 -30.631 1.00 71.43 C ATOM 1686 CD1 PHE A 113 17.623 3.611 -29.567 1.00 12.52 C ATOM 1687 CD2 PHE A 113 16.375 5.099 -30.949 1.00 14.45 C ATOM 1688 CE1 PHE A 113 16.484 3.331 -28.834 1.00 3.02 C ATOM 1689 CE2 PHE A 113 15.233 4.823 -30.220 1.00 40.02 C ATOM 1690 CZ PHE A 113 15.289 3.937 -29.161 1.00 54.32 C ATOM 0 H PHE A 113 19.991 2.434 -31.008 1.00 22.12 H new ATOM 0 HA PHE A 113 18.349 3.623 -33.165 1.00 61.43 H new ATOM 0 HB2 PHE A 113 19.660 4.923 -30.742 1.00 14.33 H new ATOM 0 HB3 PHE A 113 18.687 5.748 -31.945 1.00 14.33 H new ATOM 0 HD1 PHE A 113 18.556 3.134 -29.306 1.00 12.52 H new ATOM 0 HD2 PHE A 113 16.326 5.792 -31.776 1.00 14.45 H new ATOM 0 HE1 PHE A 113 16.530 2.639 -28.006 1.00 3.02 H new ATOM 0 HE2 PHE A 113 14.299 5.299 -30.478 1.00 40.02 H new ATOM 0 HZ PHE A 113 14.398 3.719 -28.590 1.00 54.32 H new ATOM 1700 N THR A 114 20.437 3.847 -34.512 1.00 30.22 N ATOM 1701 CA THR A 114 21.586 4.168 -35.351 1.00 45.33 C ATOM 1702 C THR A 114 21.504 5.598 -35.871 1.00 52.03 C ATOM 1703 O THR A 114 20.564 5.959 -36.580 1.00 43.22 O ATOM 1704 CB THR A 114 21.693 3.203 -36.547 1.00 73.24 C ATOM 1705 OG1 THR A 114 22.019 1.887 -36.088 1.00 32.32 O ATOM 1706 CG2 THR A 114 22.751 3.679 -37.531 1.00 73.44 C ATOM 0 H THR A 114 19.657 3.418 -35.011 1.00 30.22 H new ATOM 0 HA THR A 114 22.474 4.062 -34.727 1.00 45.33 H new ATOM 0 HB THR A 114 20.729 3.181 -37.055 1.00 73.24 H new ATOM 0 HG1 THR A 114 22.083 1.280 -36.855 1.00 32.32 H new ATOM 0 HG21 THR A 114 22.809 2.983 -38.367 1.00 73.44 H new ATOM 0 HG22 THR A 114 22.485 4.669 -37.901 1.00 73.44 H new ATOM 0 HG23 THR A 114 23.718 3.727 -37.030 1.00 73.44 H new ATOM 1714 N VAL A 115 22.495 6.409 -35.515 1.00 21.22 N ATOM 1715 CA VAL A 115 22.536 7.802 -35.948 1.00 72.13 C ATOM 1716 C VAL A 115 23.634 8.022 -36.982 1.00 32.00 C ATOM 1717 O VAL A 115 24.769 8.367 -36.654 1.00 71.13 O ATOM 1718 CB VAL A 115 22.766 8.752 -34.759 1.00 34.51 C ATOM 1719 CG1 VAL A 115 22.597 10.201 -35.192 1.00 32.02 C ATOM 1720 CG2 VAL A 115 21.821 8.415 -33.616 1.00 0.35 C ATOM 0 H VAL A 115 23.280 6.126 -34.928 1.00 21.22 H new ATOM 0 HA VAL A 115 21.568 8.024 -36.397 1.00 72.13 H new ATOM 0 HB VAL A 115 23.788 8.620 -34.405 1.00 34.51 H new ATOM 0 HG11 VAL A 115 22.763 10.858 -34.338 1.00 32.02 H new ATOM 0 HG12 VAL A 115 23.319 10.433 -35.975 1.00 32.02 H new ATOM 0 HG13 VAL A 115 21.587 10.351 -35.574 1.00 32.02 H new ATOM 0 HG21 VAL A 115 21.998 9.097 -32.784 1.00 0.35 H new ATOM 0 HG22 VAL A 115 20.790 8.516 -33.955 1.00 0.35 H new ATOM 0 HG23 VAL A 115 21.997 7.390 -33.289 1.00 0.35 H new ATOM 1730 N PRO A 116 23.290 7.821 -38.263 1.00 23.44 N ATOM 1731 CA PRO A 116 24.232 7.995 -39.372 1.00 12.20 C ATOM 1732 C PRO A 116 24.600 9.458 -39.598 1.00 62.14 C ATOM 1733 O PRO A 116 25.763 9.787 -39.825 1.00 15.32 O ATOM 1734 CB PRO A 116 23.466 7.444 -40.577 1.00 2.12 C ATOM 1735 CG PRO A 116 22.029 7.599 -40.216 1.00 24.01 C ATOM 1736 CD PRO A 116 21.954 7.410 -38.726 1.00 65.44 C ATOM 0 HA PRO A 116 25.180 7.490 -39.184 1.00 12.20 H new ATOM 0 HB2 PRO A 116 23.708 7.996 -41.486 1.00 2.12 H new ATOM 0 HB3 PRO A 116 23.717 6.400 -40.762 1.00 2.12 H new ATOM 0 HG2 PRO A 116 21.658 8.583 -40.504 1.00 24.01 H new ATOM 0 HG3 PRO A 116 21.415 6.863 -40.734 1.00 24.01 H new ATOM 0 HD2 PRO A 116 21.169 8.022 -38.282 1.00 65.44 H new ATOM 0 HD3 PRO A 116 21.738 6.375 -38.463 1.00 65.44 H new ATOM 1744 N ARG A 117 23.599 10.331 -39.534 1.00 4.04 N ATOM 1745 CA ARG A 117 23.817 11.758 -39.733 1.00 23.33 C ATOM 1746 C ARG A 117 23.675 12.518 -38.417 1.00 72.14 C ATOM 1747 O ARG A 117 22.818 12.199 -37.594 1.00 53.20 O ATOM 1748 CB ARG A 117 22.828 12.308 -40.761 1.00 24.40 C ATOM 1749 CG ARG A 117 22.965 13.804 -40.998 1.00 3.30 C ATOM 1750 CD ARG A 117 24.256 14.137 -41.727 1.00 34.14 C ATOM 1751 NE ARG A 117 24.612 15.548 -41.597 1.00 31.52 N ATOM 1752 CZ ARG A 117 25.447 16.174 -42.418 1.00 33.23 C ATOM 1753 NH1 ARG A 117 26.010 15.519 -43.424 1.00 32.32 N1+ ATOM 1754 NH2 ARG A 117 25.721 17.460 -42.234 1.00 55.12 N ATOM 0 H ARG A 117 22.630 10.074 -39.346 1.00 4.04 H new ATOM 0 HA ARG A 117 24.832 11.897 -40.105 1.00 23.33 H new ATOM 0 HB2 ARG A 117 22.971 11.784 -41.706 1.00 24.40 H new ATOM 0 HB3 ARG A 117 21.813 12.093 -40.427 1.00 24.40 H new ATOM 0 HG2 ARG A 117 22.115 14.160 -41.580 1.00 3.30 H new ATOM 0 HG3 ARG A 117 22.940 14.328 -40.043 1.00 3.30 H new ATOM 0 HD2 ARG A 117 25.064 13.522 -41.332 1.00 34.14 H new ATOM 0 HD3 ARG A 117 24.151 13.886 -42.782 1.00 34.14 H new ATOM 0 HE ARG A 117 24.196 16.082 -40.834 1.00 31.52 H new ATOM 0 HH11 ARG A 117 25.802 14.531 -43.569 1.00 32.32 H new ATOM 0 HH12 ARG A 117 26.651 16.003 -44.053 1.00 32.32 H new ATOM 0 HH21 ARG A 117 25.290 17.968 -41.462 1.00 55.12 H new ATOM 0 HH22 ARG A 117 26.363 17.940 -42.865 1.00 55.12 H new