USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 790 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 91 SER OG : rot 180:sc= 0.364 USER MOD Set 1.2: A 100 THR OG1 : rot -95:sc= 0.391 USER MOD Set 2.1: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 50 LYS NZ :NH3+ 157:sc= 0.47 (180deg=0) USER MOD Set 3.2: A 89 THR OG1 : rot -70:sc= 0.579 USER MOD Single : A 13 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.15) USER MOD Single : A 17 MET CE :methyl 157:sc= 0 (180deg=-0.744) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -136:sc= -1.07 (180deg=-3.51!) USER MOD Single : A 23 GLN : amide:sc= 0.359 K(o=0.36,f=-7.8!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= 0.449 (180deg=0.0163) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= -0.0348 (180deg=-0.234) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 0.952 (180deg=0.95) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.696 USER MOD Single : A 38 GLN : amide:sc= 0.218 K(o=0.22,f=-5.6!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0789 K(o=-0.079,f=-1.3!) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 55 MET CE :methyl -154:sc= -0.231 (180deg=-0.943) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.123 K(o=-0.12,f=-0.71) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.632 USER MOD Single : A 64 SER OG : rot 180:sc= -0.112 USER MOD Single : A 67 GLN : amide:sc= 0.816 K(o=0.82,f=-0.8) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -75:sc= 0.801 USER MOD Single : A 78 LYS NZ :NH3+ -177:sc= 1.18 (180deg=1.18) USER MOD Single : A 81 ASN :FLIP amide:sc= -1.01 F(o=-5.5!,f=-1) USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= 0.203 (180deg=-0.288) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot -31:sc= 0.354 USER MOD Single : A 94 ASN : amide:sc= -0.0265 K(o=-0.027,f=-5.4!) USER MOD Single : A 99 THR OG1 : rot 170:sc= -0.0694 USER MOD Single : A 101 CYS SG : rot 180:sc= -0.515! USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 110:sc= -1.19 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 13 16.626 -17.266 6.668 1.00 24.25 N ATOM 198 CA LYS A 13 15.903 -16.372 5.753 1.00 41.44 C ATOM 199 C LYS A 13 14.403 -16.709 5.737 1.00 4.02 C ATOM 200 O LYS A 13 14.013 -17.865 5.922 1.00 32.42 O ATOM 201 CB LYS A 13 16.467 -16.490 4.329 1.00 71.12 C ATOM 202 CG LYS A 13 17.969 -16.243 4.228 1.00 65.22 C ATOM 203 CD LYS A 13 18.464 -16.420 2.796 1.00 23.34 C ATOM 204 CE LYS A 13 19.984 -16.471 2.716 1.00 32.02 C ATOM 205 NZ LYS A 13 20.625 -15.238 3.247 1.00 22.15 N ATOM 0 HA LYS A 13 16.035 -15.350 6.109 1.00 41.44 H new ATOM 0 HB2 LYS A 13 16.247 -17.486 3.945 1.00 71.12 H new ATOM 0 HB3 LYS A 13 15.949 -15.779 3.685 1.00 71.12 H new ATOM 0 HG2 LYS A 13 18.198 -15.234 4.572 1.00 65.22 H new ATOM 0 HG3 LYS A 13 18.498 -16.932 4.886 1.00 65.22 H new ATOM 0 HD2 LYS A 13 18.049 -17.338 2.381 1.00 23.34 H new ATOM 0 HD3 LYS A 13 18.097 -15.598 2.182 1.00 23.34 H new ATOM 0 HE2 LYS A 13 20.345 -17.334 3.275 1.00 32.02 H new ATOM 0 HE3 LYS A 13 20.285 -16.615 1.678 1.00 32.02 H new ATOM 0 HZ1 LYS A 13 21.648 -15.271 3.062 1.00 22.15 H new ATOM 0 HZ2 LYS A 13 20.216 -14.405 2.779 1.00 22.15 H new ATOM 0 HZ3 LYS A 13 20.460 -15.175 4.272 1.00 22.15 H new ATOM 219 N ARG A 14 13.566 -15.702 5.514 1.00 75.31 N ATOM 220 CA ARG A 14 12.115 -15.896 5.451 1.00 12.11 C ATOM 221 C ARG A 14 11.508 -15.120 4.271 1.00 34.03 C ATOM 222 O ARG A 14 11.634 -13.893 4.191 1.00 0.34 O ATOM 223 CB ARG A 14 11.466 -15.437 6.765 1.00 55.23 C ATOM 224 CG ARG A 14 9.999 -15.832 6.918 1.00 34.22 C ATOM 225 CD ARG A 14 9.838 -17.341 7.041 1.00 63.32 C ATOM 226 NE ARG A 14 8.452 -17.726 7.288 1.00 52.32 N ATOM 227 CZ ARG A 14 8.084 -18.904 7.707 1.00 25.21 C ATOM 228 NH1 ARG A 14 8.962 -19.827 7.935 1.00 61.24 N ATOM 229 NH2 ARG A 14 6.828 -19.155 7.895 1.00 31.52 N ATOM 0 H ARG A 14 13.866 -14.737 5.373 1.00 75.31 H new ATOM 0 HA ARG A 14 11.919 -16.958 5.302 1.00 12.11 H new ATOM 0 HB2 ARG A 14 12.030 -15.854 7.599 1.00 55.23 H new ATOM 0 HB3 ARG A 14 11.546 -14.352 6.836 1.00 55.23 H new ATOM 0 HG2 ARG A 14 9.581 -15.347 7.800 1.00 34.22 H new ATOM 0 HG3 ARG A 14 9.433 -15.473 6.058 1.00 34.22 H new ATOM 0 HD2 ARG A 14 10.189 -17.819 6.126 1.00 63.32 H new ATOM 0 HD3 ARG A 14 10.466 -17.707 7.853 1.00 63.32 H new ATOM 0 HE ARG A 14 7.726 -17.029 7.122 1.00 52.32 H new ATOM 0 HH11 ARG A 14 9.953 -19.636 7.787 1.00 61.24 H new ATOM 0 HH12 ARG A 14 8.663 -20.745 8.263 1.00 61.24 H new ATOM 0 HH21 ARG A 14 6.131 -18.432 7.715 1.00 31.52 H new ATOM 0 HH22 ARG A 14 6.535 -20.075 8.223 1.00 31.52 H new ATOM 243 N ALA A 15 10.872 -15.838 3.349 1.00 63.41 N ATOM 244 CA ALA A 15 10.190 -15.210 2.214 1.00 72.51 C ATOM 245 C ALA A 15 8.966 -14.402 2.680 1.00 60.34 C ATOM 246 O ALA A 15 8.260 -14.814 3.603 1.00 43.11 O ATOM 247 CB ALA A 15 9.778 -16.269 1.193 1.00 62.01 C ATOM 0 H ALA A 15 10.813 -16.856 3.363 1.00 63.41 H new ATOM 0 HA ALA A 15 10.886 -14.518 1.740 1.00 72.51 H new ATOM 0 HB1 ALA A 15 9.272 -15.789 0.355 1.00 62.01 H new ATOM 0 HB2 ALA A 15 10.664 -16.790 0.832 1.00 62.01 H new ATOM 0 HB3 ALA A 15 9.103 -16.984 1.663 1.00 62.01 H new ATOM 253 N PRO A 16 8.696 -13.240 2.051 1.00 21.02 N ATOM 254 CA PRO A 16 7.579 -12.362 2.450 1.00 45.34 C ATOM 255 C PRO A 16 6.195 -12.995 2.222 1.00 11.23 C ATOM 256 O PRO A 16 5.933 -13.600 1.180 1.00 21.40 O ATOM 257 CB PRO A 16 7.773 -11.119 1.566 1.00 5.44 C ATOM 258 CG PRO A 16 8.533 -11.612 0.383 1.00 42.44 C ATOM 259 CD PRO A 16 9.446 -12.688 0.907 1.00 60.21 C ATOM 0 HA PRO A 16 7.597 -12.149 3.519 1.00 45.34 H new ATOM 0 HB2 PRO A 16 6.816 -10.689 1.271 1.00 5.44 H new ATOM 0 HB3 PRO A 16 8.323 -10.340 2.093 1.00 5.44 H new ATOM 0 HG2 PRO A 16 7.860 -12.006 -0.379 1.00 42.44 H new ATOM 0 HG3 PRO A 16 9.102 -10.806 -0.080 1.00 42.44 H new ATOM 0 HD2 PRO A 16 9.646 -13.449 0.152 1.00 60.21 H new ATOM 0 HD3 PRO A 16 10.410 -12.283 1.215 1.00 60.21 H new ATOM 267 N MET A 17 5.317 -12.847 3.210 1.00 15.24 N ATOM 268 CA MET A 17 3.955 -13.389 3.141 1.00 31.44 C ATOM 269 C MET A 17 2.925 -12.385 3.680 1.00 62.03 C ATOM 270 O MET A 17 3.055 -11.898 4.806 1.00 44.31 O ATOM 271 CB MET A 17 3.875 -14.699 3.944 1.00 30.24 C ATOM 272 CG MET A 17 2.457 -15.200 4.193 1.00 11.43 C ATOM 273 SD MET A 17 1.518 -15.453 2.673 1.00 14.33 S ATOM 274 CE MET A 17 -0.085 -15.890 3.347 1.00 74.30 C ATOM 0 H MET A 17 5.523 -12.352 4.078 1.00 15.24 H new ATOM 0 HA MET A 17 3.721 -13.584 2.094 1.00 31.44 H new ATOM 0 HB2 MET A 17 4.432 -15.471 3.413 1.00 30.24 H new ATOM 0 HB3 MET A 17 4.369 -14.553 4.904 1.00 30.24 H new ATOM 0 HG2 MET A 17 2.502 -16.138 4.746 1.00 11.43 H new ATOM 0 HG3 MET A 17 1.930 -14.483 4.823 1.00 11.43 H new ATOM 0 HE1 MET A 17 -0.859 -15.683 2.608 1.00 74.30 H new ATOM 0 HE2 MET A 17 -0.097 -16.951 3.598 1.00 74.30 H new ATOM 0 HE3 MET A 17 -0.275 -15.302 4.245 1.00 74.30 H new ATOM 284 N PHE A 18 1.901 -12.083 2.879 1.00 23.14 N ATOM 285 CA PHE A 18 0.801 -11.224 3.331 1.00 71.43 C ATOM 286 C PHE A 18 -0.131 -11.986 4.282 1.00 30.33 C ATOM 287 O PHE A 18 -0.914 -12.835 3.854 1.00 51.10 O ATOM 288 CB PHE A 18 -0.014 -10.692 2.140 1.00 74.25 C ATOM 289 CG PHE A 18 0.657 -9.581 1.371 1.00 75.42 C ATOM 290 CD1 PHE A 18 0.475 -8.258 1.746 1.00 30.13 C ATOM 291 CD2 PHE A 18 1.456 -9.856 0.270 1.00 33.52 C ATOM 292 CE1 PHE A 18 1.077 -7.234 1.042 1.00 74.44 C ATOM 293 CE2 PHE A 18 2.061 -8.834 -0.436 1.00 32.01 C ATOM 294 CZ PHE A 18 1.872 -7.523 -0.051 1.00 52.32 C ATOM 0 H PHE A 18 1.809 -12.417 1.920 1.00 23.14 H new ATOM 0 HA PHE A 18 1.245 -10.381 3.861 1.00 71.43 H new ATOM 0 HB2 PHE A 18 -0.218 -11.517 1.458 1.00 74.25 H new ATOM 0 HB3 PHE A 18 -0.977 -10.334 2.505 1.00 74.25 H new ATOM 0 HD1 PHE A 18 -0.145 -8.026 2.599 1.00 30.13 H new ATOM 0 HD2 PHE A 18 1.606 -10.880 -0.038 1.00 33.52 H new ATOM 0 HE1 PHE A 18 0.927 -6.208 1.345 1.00 74.44 H new ATOM 0 HE2 PHE A 18 2.682 -9.062 -1.290 1.00 32.01 H new ATOM 0 HZ PHE A 18 2.344 -6.724 -0.603 1.00 52.32 H new ATOM 304 N ILE A 19 -0.043 -11.684 5.570 1.00 32.21 N ATOM 305 CA ILE A 19 -0.930 -12.293 6.564 1.00 22.41 C ATOM 306 C ILE A 19 -2.342 -11.699 6.449 1.00 63.03 C ATOM 307 O ILE A 19 -3.343 -12.404 6.556 1.00 24.14 O ATOM 308 CB ILE A 19 -0.399 -12.076 8.004 1.00 71.02 C ATOM 309 CG1 ILE A 19 1.093 -12.435 8.086 1.00 40.52 C ATOM 310 CG2 ILE A 19 -1.210 -12.901 9.004 1.00 52.04 C ATOM 311 CD1 ILE A 19 1.706 -12.191 9.451 1.00 40.34 C ATOM 0 H ILE A 19 0.631 -11.022 5.955 1.00 32.21 H new ATOM 0 HA ILE A 19 -0.963 -13.364 6.364 1.00 22.41 H new ATOM 0 HB ILE A 19 -0.512 -11.022 8.260 1.00 71.02 H new ATOM 0 HG12 ILE A 19 1.220 -13.485 7.824 1.00 40.52 H new ATOM 0 HG13 ILE A 19 1.639 -11.853 7.343 1.00 40.52 H new ATOM 0 HG21 ILE A 19 -0.823 -12.736 10.010 1.00 52.04 H new ATOM 0 HG22 ILE A 19 -2.256 -12.597 8.963 1.00 52.04 H new ATOM 0 HG23 ILE A 19 -1.130 -13.959 8.753 1.00 52.04 H new ATOM 0 HD11 ILE A 19 2.760 -12.468 9.431 1.00 40.34 H new ATOM 0 HD12 ILE A 19 1.612 -11.136 9.709 1.00 40.34 H new ATOM 0 HD13 ILE A 19 1.187 -12.794 10.196 1.00 40.34 H new ATOM 323 N TYR A 20 -2.400 -10.389 6.215 1.00 14.10 N ATOM 324 CA TYR A 20 -3.670 -9.678 6.034 1.00 42.22 C ATOM 325 C TYR A 20 -3.589 -8.730 4.833 1.00 70.20 C ATOM 326 O TYR A 20 -2.535 -8.156 4.562 1.00 25.23 O ATOM 327 CB TYR A 20 -4.022 -8.865 7.289 1.00 64.50 C ATOM 328 CG TYR A 20 -4.063 -9.685 8.566 1.00 44.44 C ATOM 329 CD1 TYR A 20 -5.112 -10.558 8.822 1.00 43.54 C ATOM 330 CD2 TYR A 20 -3.050 -9.581 9.512 1.00 43.33 C ATOM 331 CE1 TYR A 20 -5.150 -11.305 9.983 1.00 21.52 C ATOM 332 CE2 TYR A 20 -3.083 -10.325 10.676 1.00 62.44 C ATOM 333 CZ TYR A 20 -4.135 -11.186 10.907 1.00 35.42 C ATOM 334 OH TYR A 20 -4.171 -11.935 12.063 1.00 40.11 O ATOM 0 H TYR A 20 -1.576 -9.792 6.145 1.00 14.10 H new ATOM 0 HA TYR A 20 -4.445 -10.424 5.858 1.00 42.22 H new ATOM 0 HB2 TYR A 20 -3.292 -8.064 7.407 1.00 64.50 H new ATOM 0 HB3 TYR A 20 -4.993 -8.392 7.142 1.00 64.50 H new ATOM 0 HD1 TYR A 20 -5.911 -10.654 8.102 1.00 43.54 H new ATOM 0 HD2 TYR A 20 -2.224 -8.908 9.335 1.00 43.33 H new ATOM 0 HE1 TYR A 20 -5.973 -11.980 10.166 1.00 21.52 H new ATOM 0 HE2 TYR A 20 -2.288 -10.233 11.402 1.00 62.44 H new ATOM 0 HH TYR A 20 -3.381 -11.735 12.607 1.00 40.11 H new ATOM 344 N LYS A 21 -4.696 -8.579 4.111 1.00 13.42 N ATOM 345 CA LYS A 21 -4.786 -7.580 3.041 1.00 50.14 C ATOM 346 C LYS A 21 -5.461 -6.301 3.566 1.00 33.40 C ATOM 347 O LYS A 21 -6.307 -6.364 4.460 1.00 14.31 O ATOM 348 CB LYS A 21 -5.577 -8.131 1.837 1.00 2.25 C ATOM 349 CG LYS A 21 -7.050 -8.410 2.134 1.00 11.05 C ATOM 350 CD LYS A 21 -7.859 -8.731 0.871 1.00 34.12 C ATOM 351 CE LYS A 21 -7.511 -10.090 0.257 1.00 24.12 C ATOM 352 NZ LYS A 21 -6.177 -10.101 -0.402 1.00 11.52 N ATOM 0 H LYS A 21 -5.543 -9.132 4.244 1.00 13.42 H new ATOM 0 HA LYS A 21 -3.774 -7.345 2.711 1.00 50.14 H new ATOM 0 HB2 LYS A 21 -5.512 -7.417 1.016 1.00 2.25 H new ATOM 0 HB3 LYS A 21 -5.105 -9.053 1.497 1.00 2.25 H new ATOM 0 HG2 LYS A 21 -7.124 -9.246 2.830 1.00 11.05 H new ATOM 0 HG3 LYS A 21 -7.487 -7.543 2.630 1.00 11.05 H new ATOM 0 HD2 LYS A 21 -8.921 -8.711 1.114 1.00 34.12 H new ATOM 0 HD3 LYS A 21 -7.687 -7.951 0.130 1.00 34.12 H new ATOM 0 HE2 LYS A 21 -7.532 -10.852 1.036 1.00 24.12 H new ATOM 0 HE3 LYS A 21 -8.274 -10.360 -0.473 1.00 24.12 H new ATOM 0 HZ1 LYS A 21 -6.246 -10.589 -1.318 1.00 11.52 H new ATOM 0 HZ2 LYS A 21 -5.857 -9.123 -0.554 1.00 11.52 H new ATOM 0 HZ3 LYS A 21 -5.494 -10.598 0.205 1.00 11.52 H new ATOM 366 N PRO A 22 -5.100 -5.120 3.031 1.00 1.51 N ATOM 367 CA PRO A 22 -5.760 -3.872 3.413 1.00 4.45 C ATOM 368 C PRO A 22 -7.185 -3.797 2.844 1.00 65.44 C ATOM 369 O PRO A 22 -7.425 -4.143 1.685 1.00 43.10 O ATOM 370 CB PRO A 22 -4.872 -2.762 2.828 1.00 73.43 C ATOM 371 CG PRO A 22 -3.741 -3.440 2.110 1.00 51.15 C ATOM 372 CD PRO A 22 -4.052 -4.914 2.025 1.00 44.32 C ATOM 0 HA PRO A 22 -5.868 -3.784 4.494 1.00 4.45 H new ATOM 0 HB2 PRO A 22 -5.441 -2.133 2.144 1.00 73.43 H new ATOM 0 HB3 PRO A 22 -4.494 -2.113 3.618 1.00 73.43 H new ATOM 0 HG2 PRO A 22 -3.618 -3.019 1.112 1.00 51.15 H new ATOM 0 HG3 PRO A 22 -2.803 -3.280 2.641 1.00 51.15 H new ATOM 0 HD2 PRO A 22 -4.396 -5.191 1.029 1.00 44.32 H new ATOM 0 HD3 PRO A 22 -3.171 -5.520 2.238 1.00 44.32 H new ATOM 380 N GLN A 23 -8.131 -3.339 3.655 1.00 34.13 N ATOM 381 CA GLN A 23 -9.539 -3.349 3.261 1.00 51.32 C ATOM 382 C GLN A 23 -9.952 -2.038 2.575 1.00 12.03 C ATOM 383 O GLN A 23 -9.608 -0.937 3.024 1.00 13.53 O ATOM 384 CB GLN A 23 -10.447 -3.633 4.472 1.00 13.01 C ATOM 385 CG GLN A 23 -10.344 -2.612 5.610 1.00 13.31 C ATOM 386 CD GLN A 23 -9.223 -2.894 6.611 1.00 63.24 C ATOM 387 OE1 GLN A 23 -8.191 -3.470 6.282 1.00 24.41 O ATOM 388 NE2 GLN A 23 -9.415 -2.477 7.847 1.00 54.43 N ATOM 0 H GLN A 23 -7.953 -2.958 4.584 1.00 34.13 H new ATOM 0 HA GLN A 23 -9.663 -4.153 2.536 1.00 51.32 H new ATOM 0 HB2 GLN A 23 -11.481 -3.672 4.131 1.00 13.01 H new ATOM 0 HB3 GLN A 23 -10.204 -4.620 4.866 1.00 13.01 H new ATOM 0 HG2 GLN A 23 -10.191 -1.622 5.181 1.00 13.31 H new ATOM 0 HG3 GLN A 23 -11.294 -2.585 6.144 1.00 13.31 H new ATOM 0 HE21 GLN A 23 -10.282 -2.000 8.096 1.00 54.43 H new ATOM 0 HE22 GLN A 23 -8.697 -2.631 8.555 1.00 54.43 H new ATOM 397 N SER A 24 -10.711 -2.175 1.487 1.00 23.12 N ATOM 398 CA SER A 24 -11.111 -1.033 0.649 1.00 65.35 C ATOM 399 C SER A 24 -12.082 -0.089 1.370 1.00 15.45 C ATOM 400 O SER A 24 -12.883 -0.513 2.201 1.00 2.33 O ATOM 401 CB SER A 24 -11.761 -1.526 -0.654 1.00 45.51 C ATOM 402 OG SER A 24 -13.035 -2.110 -0.422 1.00 4.54 O ATOM 0 H SER A 24 -11.066 -3.073 1.159 1.00 23.12 H new ATOM 0 HA SER A 24 -10.202 -0.475 0.427 1.00 65.35 H new ATOM 0 HB2 SER A 24 -11.865 -0.691 -1.346 1.00 45.51 H new ATOM 0 HB3 SER A 24 -11.108 -2.257 -1.132 1.00 45.51 H new ATOM 0 HG SER A 24 -13.417 -2.410 -1.273 1.00 4.54 H new ATOM 408 N LYS A 25 -11.999 1.196 1.033 1.00 20.22 N ATOM 409 CA LYS A 25 -12.882 2.222 1.605 1.00 74.04 C ATOM 410 C LYS A 25 -13.184 3.327 0.579 1.00 61.34 C ATOM 411 O LYS A 25 -12.414 3.544 -0.358 1.00 40.02 O ATOM 412 CB LYS A 25 -12.247 2.831 2.871 1.00 41.51 C ATOM 413 CG LYS A 25 -12.334 1.929 4.104 1.00 14.33 C ATOM 414 CD LYS A 25 -11.633 2.540 5.319 1.00 51.00 C ATOM 415 CE LYS A 25 -10.114 2.424 5.225 1.00 45.13 C ATOM 416 NZ LYS A 25 -9.657 1.004 5.281 1.00 62.31 N ATOM 0 H LYS A 25 -11.324 1.559 0.360 1.00 20.22 H new ATOM 0 HA LYS A 25 -13.823 1.743 1.876 1.00 74.04 H new ATOM 0 HB2 LYS A 25 -11.199 3.053 2.669 1.00 41.51 H new ATOM 0 HB3 LYS A 25 -12.737 3.779 3.091 1.00 41.51 H new ATOM 0 HG2 LYS A 25 -13.381 1.746 4.345 1.00 14.33 H new ATOM 0 HG3 LYS A 25 -11.886 0.962 3.877 1.00 14.33 H new ATOM 0 HD2 LYS A 25 -11.911 3.590 5.407 1.00 51.00 H new ATOM 0 HD3 LYS A 25 -11.979 2.042 6.225 1.00 51.00 H new ATOM 0 HE2 LYS A 25 -9.773 2.878 4.295 1.00 45.13 H new ATOM 0 HE3 LYS A 25 -9.656 2.985 6.040 1.00 45.13 H new ATOM 0 HZ1 LYS A 25 -8.663 0.971 5.586 1.00 62.31 H new ATOM 0 HZ2 LYS A 25 -10.244 0.477 5.958 1.00 62.31 H new ATOM 0 HZ3 LYS A 25 -9.744 0.574 4.338 1.00 62.31 H new ATOM 430 N LYS A 26 -14.305 4.021 0.770 1.00 73.11 N ATOM 431 CA LYS A 26 -14.737 5.082 -0.151 1.00 71.24 C ATOM 432 C LYS A 26 -14.818 6.446 0.557 1.00 14.02 C ATOM 433 O LYS A 26 -15.504 6.598 1.570 1.00 51.42 O ATOM 434 CB LYS A 26 -16.097 4.718 -0.768 1.00 62.14 C ATOM 435 CG LYS A 26 -17.183 4.413 0.263 1.00 54.20 C ATOM 436 CD LYS A 26 -18.509 4.038 -0.393 1.00 15.42 C ATOM 437 CE LYS A 26 -19.566 3.682 0.647 1.00 21.21 C ATOM 438 NZ LYS A 26 -19.191 2.474 1.432 1.00 4.04 N ATOM 0 H LYS A 26 -14.936 3.870 1.557 1.00 73.11 H new ATOM 0 HA LYS A 26 -13.993 5.166 -0.943 1.00 71.24 H new ATOM 0 HB2 LYS A 26 -16.430 5.541 -1.400 1.00 62.14 H new ATOM 0 HB3 LYS A 26 -15.971 3.850 -1.416 1.00 62.14 H new ATOM 0 HG2 LYS A 26 -16.853 3.596 0.905 1.00 54.20 H new ATOM 0 HG3 LYS A 26 -17.329 5.283 0.903 1.00 54.20 H new ATOM 0 HD2 LYS A 26 -18.863 4.870 -1.003 1.00 15.42 H new ATOM 0 HD3 LYS A 26 -18.358 3.192 -1.064 1.00 15.42 H new ATOM 0 HE2 LYS A 26 -19.707 4.525 1.324 1.00 21.21 H new ATOM 0 HE3 LYS A 26 -20.520 3.509 0.150 1.00 21.21 H new ATOM 0 HZ1 LYS A 26 -20.017 2.137 1.966 1.00 4.04 H new ATOM 0 HZ2 LYS A 26 -18.868 1.726 0.785 1.00 4.04 H new ATOM 0 HZ3 LYS A 26 -18.425 2.714 2.094 1.00 4.04 H new ATOM 452 N VAL A 27 -14.118 7.439 0.013 1.00 13.20 N ATOM 453 CA VAL A 27 -14.073 8.785 0.610 1.00 72.12 C ATOM 454 C VAL A 27 -14.440 9.878 -0.408 1.00 22.51 C ATOM 455 O VAL A 27 -14.669 9.597 -1.584 1.00 33.55 O ATOM 456 CB VAL A 27 -12.671 9.089 1.200 1.00 12.35 C ATOM 457 CG1 VAL A 27 -12.359 8.165 2.378 1.00 53.52 C ATOM 458 CG2 VAL A 27 -11.595 8.973 0.118 1.00 34.13 C ATOM 0 H VAL A 27 -13.571 7.343 -0.842 1.00 13.20 H new ATOM 0 HA VAL A 27 -14.813 8.793 1.410 1.00 72.12 H new ATOM 0 HB VAL A 27 -12.675 10.114 1.571 1.00 12.35 H new ATOM 0 HG11 VAL A 27 -11.370 8.400 2.773 1.00 53.52 H new ATOM 0 HG12 VAL A 27 -13.105 8.308 3.160 1.00 53.52 H new ATOM 0 HG13 VAL A 27 -12.379 7.128 2.042 1.00 53.52 H new ATOM 0 HG21 VAL A 27 -10.619 9.190 0.551 1.00 34.13 H new ATOM 0 HG22 VAL A 27 -11.595 7.962 -0.288 1.00 34.13 H new ATOM 0 HG23 VAL A 27 -11.804 9.685 -0.681 1.00 34.13 H new ATOM 468 N LEU A 28 -14.496 11.127 0.055 1.00 52.45 N ATOM 469 CA LEU A 28 -14.792 12.273 -0.816 1.00 22.44 C ATOM 470 C LEU A 28 -13.503 12.996 -1.231 1.00 44.53 C ATOM 471 O LEU A 28 -12.448 12.822 -0.613 1.00 15.11 O ATOM 472 CB LEU A 28 -15.734 13.256 -0.101 1.00 72.24 C ATOM 473 CG LEU A 28 -17.144 12.722 0.209 1.00 41.35 C ATOM 474 CD1 LEU A 28 -17.922 13.717 1.064 1.00 22.45 C ATOM 475 CD2 LEU A 28 -17.903 12.423 -1.082 1.00 32.31 C ATOM 0 H LEU A 28 -14.340 11.375 1.032 1.00 52.45 H new ATOM 0 HA LEU A 28 -15.281 11.896 -1.714 1.00 22.44 H new ATOM 0 HB2 LEU A 28 -15.267 13.562 0.835 1.00 72.24 H new ATOM 0 HB3 LEU A 28 -15.831 14.150 -0.716 1.00 72.24 H new ATOM 0 HG LEU A 28 -17.039 11.794 0.771 1.00 41.35 H new ATOM 0 HD11 LEU A 28 -18.916 13.320 1.271 1.00 22.45 H new ATOM 0 HD12 LEU A 28 -17.394 13.881 2.003 1.00 22.45 H new ATOM 0 HD13 LEU A 28 -18.014 14.662 0.529 1.00 22.45 H new ATOM 0 HD21 LEU A 28 -18.897 12.047 -0.841 1.00 32.31 H new ATOM 0 HD22 LEU A 28 -17.994 13.336 -1.671 1.00 32.31 H new ATOM 0 HD23 LEU A 28 -17.361 11.673 -1.657 1.00 32.31 H new ATOM 487 N GLU A 29 -13.594 13.817 -2.278 1.00 1.41 N ATOM 488 CA GLU A 29 -12.430 14.568 -2.765 1.00 61.44 C ATOM 489 C GLU A 29 -11.973 15.623 -1.745 1.00 73.41 C ATOM 490 O GLU A 29 -12.679 16.595 -1.478 1.00 50.34 O ATOM 491 CB GLU A 29 -12.740 15.236 -4.115 1.00 12.15 C ATOM 492 CG GLU A 29 -13.092 14.247 -5.222 1.00 3.44 C ATOM 493 CD GLU A 29 -13.180 14.900 -6.592 1.00 5.44 C ATOM 494 OE1 GLU A 29 -14.109 15.703 -6.817 1.00 11.54 O ATOM 495 OE2 GLU A 29 -12.313 14.622 -7.447 1.00 45.14 O ATOM 0 H GLU A 29 -14.453 13.980 -2.803 1.00 1.41 H new ATOM 0 HA GLU A 29 -11.616 13.856 -2.902 1.00 61.44 H new ATOM 0 HB2 GLU A 29 -13.569 15.932 -3.984 1.00 12.15 H new ATOM 0 HB3 GLU A 29 -11.877 15.824 -4.426 1.00 12.15 H new ATOM 0 HG2 GLU A 29 -12.341 13.457 -5.249 1.00 3.44 H new ATOM 0 HG3 GLU A 29 -14.045 13.773 -4.989 1.00 3.44 H new ATOM 502 N GLY A 30 -10.784 15.421 -1.180 1.00 63.34 N ATOM 503 CA GLY A 30 -10.259 16.337 -0.168 1.00 61.03 C ATOM 504 C GLY A 30 -10.048 15.676 1.194 1.00 75.33 C ATOM 505 O GLY A 30 -9.480 16.285 2.104 1.00 22.01 O ATOM 0 H GLY A 30 -10.170 14.638 -1.403 1.00 63.34 H new ATOM 0 HA2 GLY A 30 -9.311 16.747 -0.516 1.00 61.03 H new ATOM 0 HA3 GLY A 30 -10.947 17.175 -0.055 1.00 61.03 H new ATOM 509 N ASP A 31 -10.514 14.434 1.346 1.00 21.31 N ATOM 510 CA ASP A 31 -10.327 13.680 2.596 1.00 72.25 C ATOM 511 C ASP A 31 -9.063 12.803 2.558 1.00 44.24 C ATOM 512 O ASP A 31 -8.297 12.824 1.591 1.00 65.30 O ATOM 513 CB ASP A 31 -11.558 12.809 2.880 1.00 72.15 C ATOM 514 CG ASP A 31 -12.798 13.640 3.158 1.00 62.24 C ATOM 515 OD1 ASP A 31 -12.758 14.484 4.079 1.00 61.03 O ATOM 516 OD2 ASP A 31 -13.822 13.448 2.477 1.00 34.44 O ATOM 0 H ASP A 31 -11.023 13.927 0.622 1.00 21.31 H new ATOM 0 HA ASP A 31 -10.201 14.408 3.398 1.00 72.25 H new ATOM 0 HB2 ASP A 31 -11.744 12.157 2.027 1.00 72.15 H new ATOM 0 HB3 ASP A 31 -11.355 12.165 3.736 1.00 72.15 H new ATOM 521 N SER A 32 -8.846 12.040 3.631 1.00 10.54 N ATOM 522 CA SER A 32 -7.687 11.139 3.732 1.00 71.53 C ATOM 523 C SER A 32 -8.124 9.689 3.988 1.00 54.25 C ATOM 524 O SER A 32 -9.224 9.435 4.483 1.00 13.23 O ATOM 525 CB SER A 32 -6.751 11.598 4.859 1.00 64.32 C ATOM 526 OG SER A 32 -7.425 11.638 6.108 1.00 75.54 O ATOM 0 H SER A 32 -9.458 12.025 4.447 1.00 10.54 H new ATOM 0 HA SER A 32 -7.158 11.177 2.780 1.00 71.53 H new ATOM 0 HB2 SER A 32 -5.899 10.921 4.925 1.00 64.32 H new ATOM 0 HB3 SER A 32 -6.355 12.586 4.626 1.00 64.32 H new ATOM 0 HG SER A 32 -6.803 11.932 6.806 1.00 75.54 H new ATOM 532 N VAL A 33 -7.253 8.740 3.653 1.00 74.25 N ATOM 533 CA VAL A 33 -7.541 7.315 3.847 1.00 54.44 C ATOM 534 C VAL A 33 -6.299 6.550 4.334 1.00 44.14 C ATOM 535 O VAL A 33 -5.165 6.905 4.001 1.00 32.32 O ATOM 536 CB VAL A 33 -8.065 6.668 2.537 1.00 53.12 C ATOM 537 CG1 VAL A 33 -6.991 6.700 1.448 1.00 50.03 C ATOM 538 CG2 VAL A 33 -8.557 5.239 2.784 1.00 5.10 C ATOM 0 H VAL A 33 -6.338 8.930 3.244 1.00 74.25 H new ATOM 0 HA VAL A 33 -8.314 7.249 4.612 1.00 54.44 H new ATOM 0 HB VAL A 33 -8.916 7.255 2.190 1.00 53.12 H new ATOM 0 HG11 VAL A 33 -7.381 6.241 0.539 1.00 50.03 H new ATOM 0 HG12 VAL A 33 -6.712 7.733 1.242 1.00 50.03 H new ATOM 0 HG13 VAL A 33 -6.114 6.148 1.786 1.00 50.03 H new ATOM 0 HG21 VAL A 33 -8.918 4.812 1.848 1.00 5.10 H new ATOM 0 HG22 VAL A 33 -7.736 4.633 3.167 1.00 5.10 H new ATOM 0 HG23 VAL A 33 -9.368 5.254 3.513 1.00 5.10 H new ATOM 548 N LYS A 34 -6.525 5.500 5.121 1.00 65.20 N ATOM 549 CA LYS A 34 -5.439 4.666 5.647 1.00 43.12 C ATOM 550 C LYS A 34 -5.556 3.209 5.165 1.00 72.04 C ATOM 551 O LYS A 34 -6.621 2.591 5.263 1.00 4.40 O ATOM 552 CB LYS A 34 -5.440 4.704 7.182 1.00 14.53 C ATOM 553 CG LYS A 34 -6.798 4.382 7.810 1.00 53.50 C ATOM 554 CD LYS A 34 -6.698 4.169 9.319 1.00 44.24 C ATOM 555 CE LYS A 34 -5.863 2.937 9.656 1.00 41.25 C ATOM 556 NZ LYS A 34 -5.764 2.705 11.121 1.00 31.34 N ATOM 0 H LYS A 34 -7.456 5.203 5.412 1.00 65.20 H new ATOM 0 HA LYS A 34 -4.500 5.072 5.270 1.00 43.12 H new ATOM 0 HB2 LYS A 34 -4.701 3.994 7.554 1.00 14.53 H new ATOM 0 HB3 LYS A 34 -5.124 5.694 7.511 1.00 14.53 H new ATOM 0 HG2 LYS A 34 -7.494 5.196 7.605 1.00 53.50 H new ATOM 0 HG3 LYS A 34 -7.209 3.486 7.344 1.00 53.50 H new ATOM 0 HD2 LYS A 34 -6.253 5.049 9.783 1.00 44.24 H new ATOM 0 HD3 LYS A 34 -7.698 4.058 9.739 1.00 44.24 H new ATOM 0 HE2 LYS A 34 -6.304 2.061 9.181 1.00 41.25 H new ATOM 0 HE3 LYS A 34 -4.862 3.055 9.241 1.00 41.25 H new ATOM 0 HZ1 LYS A 34 -5.160 1.878 11.301 1.00 31.34 H new ATOM 0 HZ2 LYS A 34 -5.350 3.543 11.578 1.00 31.34 H new ATOM 0 HZ3 LYS A 34 -6.713 2.532 11.510 1.00 31.34 H new ATOM 570 N LEU A 35 -4.457 2.668 4.642 1.00 61.02 N ATOM 571 CA LEU A 35 -4.396 1.260 4.223 1.00 62.35 C ATOM 572 C LEU A 35 -3.179 0.563 4.853 1.00 75.51 C ATOM 573 O LEU A 35 -2.038 0.887 4.531 1.00 11.14 O ATOM 574 CB LEU A 35 -4.318 1.166 2.688 1.00 2.01 C ATOM 575 CG LEU A 35 -5.520 1.756 1.926 1.00 14.13 C ATOM 576 CD1 LEU A 35 -5.281 1.715 0.417 1.00 54.05 C ATOM 577 CD2 LEU A 35 -6.808 1.013 2.289 1.00 15.21 C ATOM 0 H LEU A 35 -3.589 3.184 4.496 1.00 61.02 H new ATOM 0 HA LEU A 35 -5.302 0.759 4.565 1.00 62.35 H new ATOM 0 HB2 LEU A 35 -3.414 1.676 2.356 1.00 2.01 H new ATOM 0 HB3 LEU A 35 -4.213 0.117 2.410 1.00 2.01 H new ATOM 0 HG LEU A 35 -5.631 2.799 2.224 1.00 14.13 H new ATOM 0 HD11 LEU A 35 -6.143 2.137 -0.100 1.00 54.05 H new ATOM 0 HD12 LEU A 35 -4.392 2.297 0.174 1.00 54.05 H new ATOM 0 HD13 LEU A 35 -5.137 0.682 0.099 1.00 54.05 H new ATOM 0 HD21 LEU A 35 -7.645 1.445 1.740 1.00 15.21 H new ATOM 0 HD22 LEU A 35 -6.707 -0.040 2.026 1.00 15.21 H new ATOM 0 HD23 LEU A 35 -6.991 1.104 3.360 1.00 15.21 H new ATOM 589 N GLU A 36 -3.418 -0.393 5.750 1.00 44.24 N ATOM 590 CA GLU A 36 -2.320 -1.093 6.434 1.00 13.02 C ATOM 591 C GLU A 36 -2.498 -2.619 6.396 1.00 21.03 C ATOM 592 O GLU A 36 -3.623 -3.127 6.360 1.00 22.40 O ATOM 593 CB GLU A 36 -2.195 -0.607 7.887 1.00 44.53 C ATOM 594 CG GLU A 36 -3.421 -0.879 8.755 1.00 74.01 C ATOM 595 CD GLU A 36 -3.281 -0.307 10.160 1.00 13.12 C ATOM 596 OE1 GLU A 36 -2.315 -0.670 10.864 1.00 71.30 O ATOM 597 OE2 GLU A 36 -4.135 0.509 10.566 1.00 71.44 O ATOM 0 H GLU A 36 -4.351 -0.702 6.021 1.00 44.24 H new ATOM 0 HA GLU A 36 -1.401 -0.857 5.898 1.00 13.02 H new ATOM 0 HB2 GLU A 36 -1.329 -1.086 8.344 1.00 44.53 H new ATOM 0 HB3 GLU A 36 -2.000 0.465 7.882 1.00 44.53 H new ATOM 0 HG2 GLU A 36 -4.302 -0.450 8.278 1.00 74.01 H new ATOM 0 HG3 GLU A 36 -3.585 -1.955 8.819 1.00 74.01 H new ATOM 604 N CYS A 37 -1.377 -3.341 6.406 1.00 62.32 N ATOM 605 CA CYS A 37 -1.387 -4.809 6.343 1.00 52.45 C ATOM 606 C CYS A 37 -0.136 -5.408 7.007 1.00 30.42 C ATOM 607 O CYS A 37 0.848 -4.708 7.248 1.00 25.13 O ATOM 608 CB CYS A 37 -1.466 -5.270 4.882 1.00 51.40 C ATOM 609 SG CYS A 37 -0.078 -4.729 3.855 1.00 70.51 S ATOM 0 H CYS A 37 -0.444 -2.933 6.457 1.00 62.32 H new ATOM 0 HA CYS A 37 -2.263 -5.161 6.887 1.00 52.45 H new ATOM 0 HB2 CYS A 37 -1.517 -6.359 4.859 1.00 51.40 H new ATOM 0 HB3 CYS A 37 -2.393 -4.898 4.445 1.00 51.40 H new ATOM 0 HG CYS A 37 -0.237 -5.170 2.643 1.00 70.51 H new ATOM 615 N GLN A 38 -0.174 -6.711 7.295 1.00 50.40 N ATOM 616 CA GLN A 38 0.957 -7.403 7.936 1.00 23.31 C ATOM 617 C GLN A 38 1.677 -8.346 6.959 1.00 13.23 C ATOM 618 O GLN A 38 1.076 -9.283 6.427 1.00 10.21 O ATOM 619 CB GLN A 38 0.479 -8.211 9.153 1.00 11.25 C ATOM 620 CG GLN A 38 -0.075 -7.364 10.295 1.00 23.35 C ATOM 621 CD GLN A 38 0.960 -6.439 10.928 1.00 20.04 C ATOM 622 OE1 GLN A 38 0.632 -5.361 11.406 1.00 71.21 O ATOM 623 NE2 GLN A 38 2.213 -6.854 10.961 1.00 44.42 N ATOM 0 H GLN A 38 -0.974 -7.312 7.096 1.00 50.40 H new ATOM 0 HA GLN A 38 1.659 -6.633 8.257 1.00 23.31 H new ATOM 0 HB2 GLN A 38 -0.291 -8.911 8.829 1.00 11.25 H new ATOM 0 HB3 GLN A 38 1.312 -8.805 9.529 1.00 11.25 H new ATOM 0 HG2 GLN A 38 -0.905 -6.765 9.922 1.00 23.35 H new ATOM 0 HG3 GLN A 38 -0.478 -8.024 11.063 1.00 23.35 H new ATOM 0 HE21 GLN A 38 2.462 -7.756 10.556 1.00 44.42 H new ATOM 0 HE22 GLN A 38 2.932 -6.272 11.392 1.00 44.42 H new ATOM 632 N ILE A 39 2.963 -8.094 6.731 1.00 70.35 N ATOM 633 CA ILE A 39 3.807 -8.985 5.924 1.00 71.34 C ATOM 634 C ILE A 39 4.895 -9.627 6.797 1.00 10.51 C ATOM 635 O ILE A 39 5.655 -8.926 7.464 1.00 71.12 O ATOM 636 CB ILE A 39 4.497 -8.227 4.757 1.00 31.43 C ATOM 637 CG1 ILE A 39 3.454 -7.545 3.859 1.00 54.44 C ATOM 638 CG2 ILE A 39 5.374 -9.178 3.939 1.00 72.14 C ATOM 639 CD1 ILE A 39 4.063 -6.755 2.719 1.00 12.44 C ATOM 0 H ILE A 39 3.451 -7.275 7.095 1.00 70.35 H new ATOM 0 HA ILE A 39 3.152 -9.751 5.509 1.00 71.34 H new ATOM 0 HB ILE A 39 5.136 -7.454 5.184 1.00 31.43 H new ATOM 0 HG12 ILE A 39 2.787 -8.304 3.449 1.00 54.44 H new ATOM 0 HG13 ILE A 39 2.843 -6.878 4.467 1.00 54.44 H new ATOM 0 HG21 ILE A 39 5.848 -8.627 3.127 1.00 72.14 H new ATOM 0 HG22 ILE A 39 6.142 -9.609 4.582 1.00 72.14 H new ATOM 0 HG23 ILE A 39 4.758 -9.976 3.525 1.00 72.14 H new ATOM 0 HD11 ILE A 39 3.269 -6.301 2.126 1.00 12.44 H new ATOM 0 HD12 ILE A 39 4.708 -5.974 3.121 1.00 12.44 H new ATOM 0 HD13 ILE A 39 4.651 -7.421 2.088 1.00 12.44 H new ATOM 651 N SER A 40 4.967 -10.955 6.813 1.00 64.15 N ATOM 652 CA SER A 40 6.021 -11.642 7.575 1.00 11.31 C ATOM 653 C SER A 40 7.210 -11.992 6.668 1.00 53.10 C ATOM 654 O SER A 40 7.148 -12.938 5.881 1.00 54.24 O ATOM 655 CB SER A 40 5.476 -12.916 8.235 1.00 51.33 C ATOM 656 OG SER A 40 6.475 -13.563 9.012 1.00 1.10 O ATOM 0 H SER A 40 4.324 -11.573 6.319 1.00 64.15 H new ATOM 0 HA SER A 40 6.363 -10.962 8.355 1.00 11.31 H new ATOM 0 HB2 SER A 40 4.626 -12.665 8.869 1.00 51.33 H new ATOM 0 HB3 SER A 40 5.111 -13.598 7.467 1.00 51.33 H new ATOM 0 HG SER A 40 6.099 -14.370 9.422 1.00 1.10 H new ATOM 662 N ALA A 41 8.269 -11.189 6.754 1.00 30.32 N ATOM 663 CA ALA A 41 9.493 -11.410 5.972 1.00 21.12 C ATOM 664 C ALA A 41 10.756 -11.262 6.835 1.00 71.51 C ATOM 665 O ALA A 41 10.786 -10.465 7.772 1.00 51.44 O ATOM 666 CB ALA A 41 9.549 -10.439 4.801 1.00 50.31 C ATOM 0 H ALA A 41 8.307 -10.371 7.362 1.00 30.32 H new ATOM 0 HA ALA A 41 9.464 -12.433 5.597 1.00 21.12 H new ATOM 0 HB1 ALA A 41 10.460 -10.612 4.228 1.00 50.31 H new ATOM 0 HB2 ALA A 41 8.682 -10.593 4.159 1.00 50.31 H new ATOM 0 HB3 ALA A 41 9.545 -9.416 5.176 1.00 50.31 H new ATOM 672 N ILE A 42 11.799 -12.022 6.504 1.00 71.40 N ATOM 673 CA ILE A 42 13.109 -11.887 7.162 1.00 25.03 C ATOM 674 C ILE A 42 14.248 -11.986 6.128 1.00 1.11 C ATOM 675 O ILE A 42 14.469 -13.049 5.543 1.00 62.42 O ATOM 676 CB ILE A 42 13.332 -12.968 8.261 1.00 5.02 C ATOM 677 CG1 ILE A 42 12.256 -12.862 9.358 1.00 0.01 C ATOM 678 CG2 ILE A 42 14.735 -12.849 8.866 1.00 43.24 C ATOM 679 CD1 ILE A 42 12.394 -13.898 10.455 1.00 12.34 C ATOM 0 H ILE A 42 11.767 -12.742 5.782 1.00 71.40 H new ATOM 0 HA ILE A 42 13.118 -10.906 7.638 1.00 25.03 H new ATOM 0 HB ILE A 42 13.246 -13.949 7.793 1.00 5.02 H new ATOM 0 HG12 ILE A 42 12.301 -11.868 9.803 1.00 0.01 H new ATOM 0 HG13 ILE A 42 11.272 -12.962 8.899 1.00 0.01 H new ATOM 0 HG21 ILE A 42 14.867 -13.614 9.631 1.00 43.24 H new ATOM 0 HG22 ILE A 42 15.481 -12.985 8.083 1.00 43.24 H new ATOM 0 HG23 ILE A 42 14.855 -11.863 9.315 1.00 43.24 H new ATOM 0 HD11 ILE A 42 11.601 -13.758 11.189 1.00 12.34 H new ATOM 0 HD12 ILE A 42 12.318 -14.896 10.024 1.00 12.34 H new ATOM 0 HD13 ILE A 42 13.363 -13.786 10.942 1.00 12.34 H new ATOM 691 N PRO A 43 14.974 -10.882 5.856 1.00 12.24 N ATOM 692 CA PRO A 43 14.706 -9.547 6.441 1.00 22.54 C ATOM 693 C PRO A 43 13.543 -8.797 5.747 1.00 15.52 C ATOM 694 O PRO A 43 13.071 -9.220 4.688 1.00 32.12 O ATOM 695 CB PRO A 43 16.035 -8.822 6.202 1.00 54.33 C ATOM 696 CG PRO A 43 16.548 -9.406 4.930 1.00 10.31 C ATOM 697 CD PRO A 43 16.149 -10.861 4.957 1.00 62.31 C ATOM 0 HA PRO A 43 14.396 -9.606 7.484 1.00 22.54 H new ATOM 0 HB2 PRO A 43 15.891 -7.745 6.116 1.00 54.33 H new ATOM 0 HB3 PRO A 43 16.731 -8.986 7.024 1.00 54.33 H new ATOM 0 HG2 PRO A 43 16.119 -8.899 4.066 1.00 10.31 H new ATOM 0 HG3 PRO A 43 17.630 -9.298 4.858 1.00 10.31 H new ATOM 0 HD2 PRO A 43 15.899 -11.227 3.961 1.00 62.31 H new ATOM 0 HD3 PRO A 43 16.954 -11.491 5.335 1.00 62.31 H new ATOM 705 N PRO A 44 13.056 -7.678 6.341 1.00 1.33 N ATOM 706 CA PRO A 44 12.005 -6.837 5.724 1.00 64.35 C ATOM 707 C PRO A 44 12.296 -6.498 4.246 1.00 2.41 C ATOM 708 O PRO A 44 13.407 -6.075 3.904 1.00 42.40 O ATOM 709 CB PRO A 44 12.028 -5.569 6.588 1.00 54.12 C ATOM 710 CG PRO A 44 12.479 -6.045 7.928 1.00 1.02 C ATOM 711 CD PRO A 44 13.464 -7.159 7.665 1.00 30.14 C ATOM 0 HA PRO A 44 11.039 -7.342 5.700 1.00 64.35 H new ATOM 0 HB2 PRO A 44 12.710 -4.822 6.181 1.00 54.12 H new ATOM 0 HB3 PRO A 44 11.043 -5.106 6.641 1.00 54.12 H new ATOM 0 HG2 PRO A 44 12.945 -5.237 8.492 1.00 1.02 H new ATOM 0 HG3 PRO A 44 11.636 -6.402 8.519 1.00 1.02 H new ATOM 0 HD2 PRO A 44 14.490 -6.792 7.653 1.00 30.14 H new ATOM 0 HD3 PRO A 44 13.410 -7.931 8.432 1.00 30.14 H new ATOM 719 N PRO A 45 11.298 -6.673 3.355 1.00 60.43 N ATOM 720 CA PRO A 45 11.478 -6.536 1.904 1.00 22.20 C ATOM 721 C PRO A 45 11.235 -5.113 1.371 1.00 23.34 C ATOM 722 O PRO A 45 10.769 -4.230 2.095 1.00 65.22 O ATOM 723 CB PRO A 45 10.407 -7.492 1.374 1.00 22.34 C ATOM 724 CG PRO A 45 9.281 -7.375 2.354 1.00 23.22 C ATOM 725 CD PRO A 45 9.899 -7.013 3.688 1.00 13.43 C ATOM 0 HA PRO A 45 12.501 -6.752 1.596 1.00 22.20 H new ATOM 0 HB2 PRO A 45 10.089 -7.214 0.369 1.00 22.34 H new ATOM 0 HB3 PRO A 45 10.780 -8.515 1.319 1.00 22.34 H new ATOM 0 HG2 PRO A 45 8.570 -6.612 2.037 1.00 23.22 H new ATOM 0 HG3 PRO A 45 8.731 -8.313 2.425 1.00 23.22 H new ATOM 0 HD2 PRO A 45 9.383 -6.172 4.151 1.00 13.43 H new ATOM 0 HD3 PRO A 45 9.847 -7.845 4.391 1.00 13.43 H new ATOM 733 N LYS A 46 11.565 -4.899 0.098 1.00 20.43 N ATOM 734 CA LYS A 46 11.279 -3.629 -0.575 1.00 70.45 C ATOM 735 C LYS A 46 9.822 -3.597 -1.062 1.00 42.14 C ATOM 736 O LYS A 46 9.322 -4.580 -1.613 1.00 24.03 O ATOM 737 CB LYS A 46 12.234 -3.424 -1.759 1.00 43.23 C ATOM 738 CG LYS A 46 12.102 -2.060 -2.437 1.00 34.03 C ATOM 739 CD LYS A 46 12.404 -0.913 -1.474 1.00 15.12 C ATOM 740 CE LYS A 46 12.295 0.447 -2.156 1.00 34.42 C ATOM 741 NZ LYS A 46 12.613 1.565 -1.226 1.00 32.32 N ATOM 0 H LYS A 46 12.032 -5.589 -0.491 1.00 20.43 H new ATOM 0 HA LYS A 46 11.428 -2.820 0.140 1.00 70.45 H new ATOM 0 HB2 LYS A 46 13.259 -3.547 -1.411 1.00 43.23 H new ATOM 0 HB3 LYS A 46 12.053 -4.204 -2.498 1.00 43.23 H new ATOM 0 HG2 LYS A 46 12.783 -2.010 -3.287 1.00 34.03 H new ATOM 0 HG3 LYS A 46 11.092 -1.947 -2.831 1.00 34.03 H new ATOM 0 HD2 LYS A 46 11.712 -0.954 -0.633 1.00 15.12 H new ATOM 0 HD3 LYS A 46 13.408 -1.036 -1.067 1.00 15.12 H new ATOM 0 HE2 LYS A 46 12.974 0.480 -3.008 1.00 34.42 H new ATOM 0 HE3 LYS A 46 11.286 0.577 -2.547 1.00 34.42 H new ATOM 0 HZ1 LYS A 46 12.527 2.471 -1.730 1.00 32.32 H new ATOM 0 HZ2 LYS A 46 11.950 1.550 -0.425 1.00 32.32 H new ATOM 0 HZ3 LYS A 46 13.585 1.457 -0.872 1.00 32.32 H new ATOM 755 N LEU A 47 9.151 -2.464 -0.861 1.00 52.10 N ATOM 756 CA LEU A 47 7.724 -2.336 -1.190 1.00 62.33 C ATOM 757 C LEU A 47 7.498 -1.541 -2.488 1.00 43.12 C ATOM 758 O LEU A 47 8.141 -0.517 -2.725 1.00 22.14 O ATOM 759 CB LEU A 47 6.984 -1.649 -0.033 1.00 60.11 C ATOM 760 CG LEU A 47 7.181 -2.296 1.348 1.00 74.21 C ATOM 761 CD1 LEU A 47 6.522 -1.451 2.434 1.00 2.02 C ATOM 762 CD2 LEU A 47 6.639 -3.724 1.360 1.00 73.12 C ATOM 0 H LEU A 47 9.569 -1.619 -0.472 1.00 52.10 H new ATOM 0 HA LEU A 47 7.332 -3.341 -1.343 1.00 62.33 H new ATOM 0 HB2 LEU A 47 7.311 -0.611 0.020 1.00 60.11 H new ATOM 0 HB3 LEU A 47 5.918 -1.636 -0.261 1.00 60.11 H new ATOM 0 HG LEU A 47 8.250 -2.342 1.556 1.00 74.21 H new ATOM 0 HD11 LEU A 47 6.672 -1.924 3.404 1.00 2.02 H new ATOM 0 HD12 LEU A 47 6.969 -0.457 2.443 1.00 2.02 H new ATOM 0 HD13 LEU A 47 5.454 -1.367 2.232 1.00 2.02 H new ATOM 0 HD21 LEU A 47 6.789 -4.162 2.347 1.00 73.12 H new ATOM 0 HD22 LEU A 47 5.574 -3.711 1.127 1.00 73.12 H new ATOM 0 HD23 LEU A 47 7.166 -4.320 0.615 1.00 73.12 H new ATOM 774 N PHE A 48 6.581 -2.027 -3.322 1.00 74.23 N ATOM 775 CA PHE A 48 6.189 -1.330 -4.557 1.00 65.23 C ATOM 776 C PHE A 48 4.657 -1.240 -4.660 1.00 71.15 C ATOM 777 O PHE A 48 3.962 -2.239 -4.485 1.00 13.14 O ATOM 778 CB PHE A 48 6.747 -2.060 -5.791 1.00 45.43 C ATOM 779 CG PHE A 48 8.255 -2.124 -5.836 1.00 51.33 C ATOM 780 CD1 PHE A 48 8.992 -1.070 -6.360 1.00 2.13 C ATOM 781 CD2 PHE A 48 8.933 -3.238 -5.356 1.00 32.21 C ATOM 782 CE1 PHE A 48 10.373 -1.127 -6.402 1.00 75.04 C ATOM 783 CE2 PHE A 48 10.313 -3.296 -5.396 1.00 55.35 C ATOM 784 CZ PHE A 48 11.033 -2.241 -5.919 1.00 2.40 C ATOM 0 H PHE A 48 6.089 -2.907 -3.168 1.00 74.23 H new ATOM 0 HA PHE A 48 6.604 -0.323 -4.523 1.00 65.23 H new ATOM 0 HB2 PHE A 48 6.350 -3.075 -5.811 1.00 45.43 H new ATOM 0 HB3 PHE A 48 6.388 -1.559 -6.690 1.00 45.43 H new ATOM 0 HD1 PHE A 48 8.481 -0.197 -6.739 1.00 2.13 H new ATOM 0 HD2 PHE A 48 8.375 -4.068 -4.947 1.00 32.21 H new ATOM 0 HE1 PHE A 48 10.936 -0.301 -6.812 1.00 75.04 H new ATOM 0 HE2 PHE A 48 10.828 -4.167 -5.018 1.00 55.35 H new ATOM 0 HZ PHE A 48 12.112 -2.286 -5.951 1.00 2.40 H new ATOM 794 N TRP A 49 4.133 -0.042 -4.928 1.00 14.34 N ATOM 795 CA TRP A 49 2.680 0.157 -5.069 1.00 74.45 C ATOM 796 C TRP A 49 2.311 0.676 -6.466 1.00 75.22 C ATOM 797 O TRP A 49 2.824 1.700 -6.921 1.00 22.03 O ATOM 798 CB TRP A 49 2.157 1.138 -4.010 1.00 14.41 C ATOM 799 CG TRP A 49 2.165 0.596 -2.612 1.00 35.21 C ATOM 800 CD1 TRP A 49 3.248 0.435 -1.798 1.00 50.20 C ATOM 801 CD2 TRP A 49 1.030 0.148 -1.864 1.00 52.22 C ATOM 802 NE1 TRP A 49 2.855 -0.084 -0.589 1.00 53.05 N ATOM 803 CE2 TRP A 49 1.498 -0.270 -0.605 1.00 31.03 C ATOM 804 CE3 TRP A 49 -0.339 0.059 -2.140 1.00 40.10 C ATOM 805 CZ2 TRP A 49 0.646 -0.768 0.378 1.00 71.31 C ATOM 806 CZ3 TRP A 49 -1.184 -0.435 -1.164 1.00 43.24 C ATOM 807 CH2 TRP A 49 -0.690 -0.843 0.084 1.00 71.12 C ATOM 0 H TRP A 49 4.687 0.805 -5.052 1.00 14.34 H new ATOM 0 HA TRP A 49 2.211 -0.817 -4.925 1.00 74.45 H new ATOM 0 HB2 TRP A 49 2.762 2.044 -4.040 1.00 14.41 H new ATOM 0 HB3 TRP A 49 1.139 1.427 -4.270 1.00 14.41 H new ATOM 0 HD1 TRP A 49 4.265 0.680 -2.065 1.00 50.20 H new ATOM 0 HE1 TRP A 49 3.473 -0.297 0.194 1.00 53.05 H new ATOM 0 HE3 TRP A 49 -0.728 0.371 -3.098 1.00 40.10 H new ATOM 0 HZ2 TRP A 49 1.025 -1.084 1.339 1.00 71.31 H new ATOM 0 HZ3 TRP A 49 -2.242 -0.508 -1.366 1.00 43.24 H new ATOM 0 HH2 TRP A 49 -1.376 -1.223 0.827 1.00 71.12 H new ATOM 818 N LYS A 50 1.415 -0.036 -7.139 1.00 41.13 N ATOM 819 CA LYS A 50 0.911 0.385 -8.450 1.00 13.50 C ATOM 820 C LYS A 50 -0.598 0.662 -8.392 1.00 13.05 C ATOM 821 O LYS A 50 -1.374 -0.187 -7.974 1.00 32.55 O ATOM 822 CB LYS A 50 1.222 -0.707 -9.490 1.00 70.21 C ATOM 823 CG LYS A 50 0.508 -0.536 -10.832 1.00 34.03 C ATOM 824 CD LYS A 50 1.064 -1.484 -11.900 1.00 32.51 C ATOM 825 CE LYS A 50 1.126 -2.938 -11.426 1.00 2.41 C ATOM 826 NZ LYS A 50 -0.219 -3.507 -11.127 1.00 41.20 N ATOM 0 H LYS A 50 1.018 -0.912 -6.800 1.00 41.13 H new ATOM 0 HA LYS A 50 1.407 1.311 -8.741 1.00 13.50 H new ATOM 0 HB2 LYS A 50 2.297 -0.726 -9.666 1.00 70.21 H new ATOM 0 HB3 LYS A 50 0.951 -1.676 -9.071 1.00 70.21 H new ATOM 0 HG2 LYS A 50 -0.558 -0.721 -10.702 1.00 34.03 H new ATOM 0 HG3 LYS A 50 0.614 0.495 -11.171 1.00 34.03 H new ATOM 0 HD2 LYS A 50 0.442 -1.424 -12.793 1.00 32.51 H new ATOM 0 HD3 LYS A 50 2.064 -1.156 -12.186 1.00 32.51 H new ATOM 0 HE2 LYS A 50 1.610 -3.544 -12.192 1.00 2.41 H new ATOM 0 HE3 LYS A 50 1.747 -2.998 -10.532 1.00 2.41 H new ATOM 0 HZ1 LYS A 50 -0.180 -4.544 -11.193 1.00 41.20 H new ATOM 0 HZ2 LYS A 50 -0.507 -3.232 -10.166 1.00 41.20 H new ATOM 0 HZ3 LYS A 50 -0.910 -3.142 -11.813 1.00 41.20 H new ATOM 840 N ARG A 51 -1.012 1.844 -8.838 1.00 62.33 N ATOM 841 CA ARG A 51 -2.428 2.230 -8.817 1.00 75.43 C ATOM 842 C ARG A 51 -3.024 2.247 -10.227 1.00 2.03 C ATOM 843 O ARG A 51 -2.649 3.076 -11.051 1.00 13.40 O ATOM 844 CB ARG A 51 -2.588 3.630 -8.205 1.00 74.44 C ATOM 845 CG ARG A 51 -4.046 4.058 -8.016 1.00 30.42 C ATOM 846 CD ARG A 51 -4.179 5.560 -7.765 1.00 11.40 C ATOM 847 NE ARG A 51 -4.157 6.332 -9.009 1.00 72.34 N ATOM 848 CZ ARG A 51 -3.215 7.171 -9.349 1.00 34.24 C ATOM 849 NH1 ARG A 51 -2.176 7.345 -8.597 1.00 4.34 N ATOM 850 NH2 ARG A 51 -3.319 7.839 -10.448 1.00 30.22 N ATOM 0 H ARG A 51 -0.389 2.556 -9.220 1.00 62.33 H new ATOM 0 HA ARG A 51 -2.956 1.491 -8.215 1.00 75.43 H new ATOM 0 HB2 ARG A 51 -2.084 3.654 -7.239 1.00 74.44 H new ATOM 0 HB3 ARG A 51 -2.086 4.356 -8.845 1.00 74.44 H new ATOM 0 HG2 ARG A 51 -4.620 3.787 -8.902 1.00 30.42 H new ATOM 0 HG3 ARG A 51 -4.477 3.512 -7.177 1.00 30.42 H new ATOM 0 HD2 ARG A 51 -5.110 5.757 -7.233 1.00 11.40 H new ATOM 0 HD3 ARG A 51 -3.367 5.892 -7.119 1.00 11.40 H new ATOM 0 HE ARG A 51 -4.934 6.205 -9.658 1.00 72.34 H new ATOM 0 HH11 ARG A 51 -2.084 6.823 -7.725 1.00 4.34 H new ATOM 0 HH12 ARG A 51 -1.449 8.004 -8.876 1.00 4.34 H new ATOM 0 HH21 ARG A 51 -4.134 7.711 -11.047 1.00 30.22 H new ATOM 0 HH22 ARG A 51 -2.586 8.495 -10.717 1.00 30.22 H new ATOM 864 N ASN A 52 -3.961 1.341 -10.488 1.00 65.41 N ATOM 865 CA ASN A 52 -4.695 1.313 -11.758 1.00 4.30 C ATOM 866 C ASN A 52 -3.734 1.346 -12.970 1.00 62.01 C ATOM 867 O ASN A 52 -3.999 2.012 -13.973 1.00 30.30 O ATOM 868 CB ASN A 52 -5.682 2.493 -11.795 1.00 32.32 C ATOM 869 CG ASN A 52 -6.785 2.312 -12.817 1.00 73.43 C ATOM 870 OD1 ASN A 52 -7.170 1.193 -13.147 1.00 54.25 O ATOM 871 ND2 ASN A 52 -7.317 3.408 -13.308 1.00 11.40 N ATOM 0 H ASN A 52 -4.235 0.608 -9.833 1.00 65.41 H new ATOM 0 HA ASN A 52 -5.251 0.378 -11.825 1.00 4.30 H new ATOM 0 HB2 ASN A 52 -6.126 2.618 -10.808 1.00 32.32 H new ATOM 0 HB3 ASN A 52 -5.135 3.409 -12.017 1.00 32.32 H new ATOM 0 HD21 ASN A 52 -8.076 3.347 -13.987 1.00 11.40 H new ATOM 0 HD22 ASN A 52 -6.971 4.320 -13.010 1.00 11.40 H new ATOM 878 N ASN A 53 -2.621 0.607 -12.845 1.00 61.51 N ATOM 879 CA ASN A 53 -1.586 0.484 -13.896 1.00 14.41 C ATOM 880 C ASN A 53 -0.603 1.674 -13.927 1.00 12.41 C ATOM 881 O ASN A 53 0.245 1.762 -14.816 1.00 33.32 O ATOM 882 CB ASN A 53 -2.214 0.251 -15.280 1.00 4.23 C ATOM 883 CG ASN A 53 -2.971 -1.063 -15.348 1.00 34.13 C ATOM 884 OD1 ASN A 53 -2.637 -2.021 -14.659 1.00 23.13 O ATOM 885 ND2 ASN A 53 -3.996 -1.121 -16.170 1.00 32.05 N ATOM 0 H ASN A 53 -2.407 0.070 -12.004 1.00 61.51 H new ATOM 0 HA ASN A 53 -0.997 -0.395 -13.633 1.00 14.41 H new ATOM 0 HB2 ASN A 53 -2.892 1.072 -15.513 1.00 4.23 H new ATOM 0 HB3 ASN A 53 -1.432 0.258 -16.039 1.00 4.23 H new ATOM 0 HD21 ASN A 53 -4.539 -1.981 -16.248 1.00 32.05 H new ATOM 0 HD22 ASN A 53 -4.248 -0.306 -16.729 1.00 32.05 H new ATOM 892 N GLU A 54 -0.703 2.568 -12.946 1.00 64.02 N ATOM 893 CA GLU A 54 0.277 3.655 -12.766 1.00 54.44 C ATOM 894 C GLU A 54 1.020 3.491 -11.433 1.00 1.24 C ATOM 895 O GLU A 54 0.403 3.514 -10.374 1.00 5.03 O ATOM 896 CB GLU A 54 -0.427 5.018 -12.770 1.00 60.44 C ATOM 897 CG GLU A 54 -1.197 5.328 -14.046 1.00 64.35 C ATOM 898 CD GLU A 54 -1.922 6.661 -13.968 1.00 34.32 C ATOM 899 OE1 GLU A 54 -1.270 7.711 -14.167 1.00 63.41 O ATOM 900 OE2 GLU A 54 -3.141 6.668 -13.698 1.00 41.32 O ATOM 0 H GLU A 54 -1.454 2.567 -12.256 1.00 64.02 H new ATOM 0 HA GLU A 54 0.987 3.606 -13.592 1.00 54.44 H new ATOM 0 HB2 GLU A 54 -1.116 5.059 -11.926 1.00 60.44 H new ATOM 0 HB3 GLU A 54 0.318 5.798 -12.612 1.00 60.44 H new ATOM 0 HG2 GLU A 54 -0.508 5.340 -14.891 1.00 64.35 H new ATOM 0 HG3 GLU A 54 -1.919 4.534 -14.235 1.00 64.35 H new ATOM 907 N MET A 55 2.342 3.346 -11.473 1.00 42.34 N ATOM 908 CA MET A 55 3.119 3.169 -10.238 1.00 2.11 C ATOM 909 C MET A 55 3.189 4.477 -9.428 1.00 13.22 C ATOM 910 O MET A 55 3.453 5.551 -9.972 1.00 23.14 O ATOM 911 CB MET A 55 4.522 2.632 -10.546 1.00 74.33 C ATOM 912 CG MET A 55 5.366 2.375 -9.303 1.00 22.11 C ATOM 913 SD MET A 55 6.753 1.270 -9.627 1.00 41.32 S ATOM 914 CE MET A 55 5.879 -0.254 -9.987 1.00 2.13 C ATOM 0 H MET A 55 2.895 3.347 -12.330 1.00 42.34 H new ATOM 0 HA MET A 55 2.604 2.430 -9.624 1.00 2.11 H new ATOM 0 HB2 MET A 55 4.430 1.704 -11.110 1.00 74.33 H new ATOM 0 HB3 MET A 55 5.042 3.345 -11.186 1.00 74.33 H new ATOM 0 HG2 MET A 55 5.743 3.324 -8.921 1.00 22.11 H new ATOM 0 HG3 MET A 55 4.737 1.945 -8.523 1.00 22.11 H new ATOM 0 HE1 MET A 55 6.521 -1.104 -9.758 1.00 2.13 H new ATOM 0 HE2 MET A 55 4.976 -0.308 -9.380 1.00 2.13 H new ATOM 0 HE3 MET A 55 5.608 -0.278 -11.043 1.00 2.13 H new ATOM 924 N VAL A 56 2.963 4.362 -8.121 1.00 3.21 N ATOM 925 CA VAL A 56 2.783 5.525 -7.242 1.00 23.34 C ATOM 926 C VAL A 56 4.120 6.153 -6.792 1.00 60.15 C ATOM 927 O VAL A 56 5.140 5.470 -6.686 1.00 25.34 O ATOM 928 CB VAL A 56 1.956 5.127 -5.990 1.00 70.12 C ATOM 929 CG1 VAL A 56 1.555 6.357 -5.179 1.00 62.14 C ATOM 930 CG2 VAL A 56 0.724 4.312 -6.395 1.00 51.32 C ATOM 0 H VAL A 56 2.899 3.465 -7.639 1.00 3.21 H new ATOM 0 HA VAL A 56 2.250 6.275 -7.826 1.00 23.34 H new ATOM 0 HB VAL A 56 2.585 4.503 -5.355 1.00 70.12 H new ATOM 0 HG11 VAL A 56 0.977 6.046 -4.309 1.00 62.14 H new ATOM 0 HG12 VAL A 56 2.451 6.884 -4.850 1.00 62.14 H new ATOM 0 HG13 VAL A 56 0.951 7.020 -5.798 1.00 62.14 H new ATOM 0 HG21 VAL A 56 0.157 4.042 -5.504 1.00 51.32 H new ATOM 0 HG22 VAL A 56 0.096 4.907 -7.058 1.00 51.32 H new ATOM 0 HG23 VAL A 56 1.041 3.406 -6.911 1.00 51.32 H new ATOM 940 N GLN A 57 4.100 7.469 -6.546 1.00 10.32 N ATOM 941 CA GLN A 57 5.264 8.201 -6.020 1.00 4.01 C ATOM 942 C GLN A 57 4.992 8.667 -4.575 1.00 71.13 C ATOM 943 O GLN A 57 3.898 9.140 -4.270 1.00 45.10 O ATOM 944 CB GLN A 57 5.571 9.410 -6.918 1.00 55.23 C ATOM 945 CG GLN A 57 5.803 9.045 -8.385 1.00 13.41 C ATOM 946 CD GLN A 57 6.116 10.253 -9.255 1.00 21.21 C ATOM 947 OE1 GLN A 57 7.271 10.626 -9.430 1.00 10.13 O ATOM 948 NE2 GLN A 57 5.092 10.868 -9.814 1.00 63.01 N ATOM 0 H GLN A 57 3.281 8.056 -6.704 1.00 10.32 H new ATOM 0 HA GLN A 57 6.127 7.535 -6.015 1.00 4.01 H new ATOM 0 HB2 GLN A 57 4.744 10.117 -6.855 1.00 55.23 H new ATOM 0 HB3 GLN A 57 6.455 9.920 -6.536 1.00 55.23 H new ATOM 0 HG2 GLN A 57 6.626 8.333 -8.451 1.00 13.41 H new ATOM 0 HG3 GLN A 57 4.916 8.544 -8.774 1.00 13.41 H new ATOM 0 HE21 GLN A 57 4.143 10.532 -9.648 1.00 63.01 H new ATOM 0 HE22 GLN A 57 5.249 11.679 -10.412 1.00 63.01 H new ATOM 957 N PHE A 58 5.987 8.547 -3.693 1.00 54.32 N ATOM 958 CA PHE A 58 5.780 8.794 -2.252 1.00 31.21 C ATOM 959 C PHE A 58 6.552 10.022 -1.729 1.00 62.10 C ATOM 960 O PHE A 58 6.643 10.234 -0.520 1.00 51.30 O ATOM 961 CB PHE A 58 6.205 7.555 -1.454 1.00 1.14 C ATOM 962 CG PHE A 58 5.571 6.273 -1.934 1.00 31.52 C ATOM 963 CD1 PHE A 58 4.247 5.981 -1.636 1.00 62.31 C ATOM 964 CD2 PHE A 58 6.300 5.361 -2.684 1.00 11.52 C ATOM 965 CE1 PHE A 58 3.667 4.806 -2.073 1.00 32.40 C ATOM 966 CE2 PHE A 58 5.722 4.185 -3.123 1.00 34.44 C ATOM 967 CZ PHE A 58 4.405 3.908 -2.817 1.00 20.41 C ATOM 0 H PHE A 58 6.940 8.283 -3.942 1.00 54.32 H new ATOM 0 HA PHE A 58 4.718 9.001 -2.117 1.00 31.21 H new ATOM 0 HB2 PHE A 58 7.289 7.455 -1.507 1.00 1.14 H new ATOM 0 HB3 PHE A 58 5.949 7.705 -0.405 1.00 1.14 H new ATOM 0 HD1 PHE A 58 3.664 6.681 -1.056 1.00 62.31 H new ATOM 0 HD2 PHE A 58 7.331 5.573 -2.927 1.00 11.52 H new ATOM 0 HE1 PHE A 58 2.636 4.590 -1.833 1.00 32.40 H new ATOM 0 HE2 PHE A 58 6.301 3.483 -3.705 1.00 34.44 H new ATOM 0 HZ PHE A 58 3.952 2.989 -3.160 1.00 20.41 H new ATOM 977 N ASN A 59 7.088 10.840 -2.628 1.00 30.33 N ATOM 978 CA ASN A 59 7.888 12.015 -2.234 1.00 52.14 C ATOM 979 C ASN A 59 7.008 13.233 -1.874 1.00 41.10 C ATOM 980 O ASN A 59 7.378 14.378 -2.146 1.00 2.12 O ATOM 981 CB ASN A 59 8.860 12.376 -3.368 1.00 71.24 C ATOM 982 CG ASN A 59 8.146 12.692 -4.671 1.00 12.11 C ATOM 983 OD1 ASN A 59 7.856 11.802 -5.464 1.00 34.03 O ATOM 984 ND2 ASN A 59 7.866 13.958 -4.909 1.00 62.10 N ATOM 0 H ASN A 59 6.988 10.719 -3.636 1.00 30.33 H new ATOM 0 HA ASN A 59 8.446 11.751 -1.335 1.00 52.14 H new ATOM 0 HB2 ASN A 59 9.459 13.236 -3.068 1.00 71.24 H new ATOM 0 HB3 ASN A 59 9.550 11.547 -3.528 1.00 71.24 H new ATOM 0 HD21 ASN A 59 7.394 14.222 -5.774 1.00 62.10 H new ATOM 0 HD22 ASN A 59 8.121 14.673 -4.228 1.00 62.10 H new ATOM 991 N THR A 60 5.864 12.991 -1.230 1.00 11.20 N ATOM 992 CA THR A 60 4.903 14.067 -0.914 1.00 24.22 C ATOM 993 C THR A 60 4.147 13.815 0.407 1.00 3.34 C ATOM 994 O THR A 60 4.329 12.785 1.055 1.00 1.51 O ATOM 995 CB THR A 60 3.882 14.251 -2.069 1.00 35.12 C ATOM 996 OG1 THR A 60 2.799 15.103 -1.665 1.00 65.05 O ATOM 997 CG2 THR A 60 3.333 12.908 -2.541 1.00 44.53 C ATOM 0 H THR A 60 5.575 12.065 -0.915 1.00 11.20 H new ATOM 0 HA THR A 60 5.489 14.978 -0.794 1.00 24.22 H new ATOM 0 HB THR A 60 4.411 14.721 -2.898 1.00 35.12 H new ATOM 0 HG1 THR A 60 2.169 15.206 -2.409 1.00 65.05 H new ATOM 0 HG21 THR A 60 2.621 13.070 -3.350 1.00 44.53 H new ATOM 0 HG22 THR A 60 4.153 12.285 -2.899 1.00 44.53 H new ATOM 0 HG23 THR A 60 2.832 12.408 -1.712 1.00 44.53 H new ATOM 1005 N ASP A 61 3.313 14.779 0.808 1.00 51.35 N ATOM 1006 CA ASP A 61 2.464 14.645 2.001 1.00 22.15 C ATOM 1007 C ASP A 61 1.123 13.976 1.658 1.00 33.43 C ATOM 1008 O ASP A 61 0.540 13.263 2.477 1.00 54.32 O ATOM 1009 CB ASP A 61 2.220 16.023 2.629 1.00 41.54 C ATOM 1010 CG ASP A 61 1.258 15.972 3.805 1.00 41.13 C ATOM 1011 OD1 ASP A 61 1.639 15.436 4.867 1.00 1.50 O ATOM 1012 OD2 ASP A 61 0.123 16.480 3.683 1.00 3.24 O ATOM 0 H ASP A 61 3.206 15.669 0.321 1.00 51.35 H new ATOM 0 HA ASP A 61 2.984 14.010 2.718 1.00 22.15 H new ATOM 0 HB2 ASP A 61 3.171 16.439 2.961 1.00 41.54 H new ATOM 0 HB3 ASP A 61 1.824 16.698 1.870 1.00 41.54 H new ATOM 1017 N ARG A 62 0.647 14.201 0.435 1.00 1.22 N ATOM 1018 CA ARG A 62 -0.614 13.609 -0.026 1.00 0.21 C ATOM 1019 C ARG A 62 -0.474 12.099 -0.248 1.00 20.05 C ATOM 1020 O ARG A 62 -1.446 11.356 -0.146 1.00 54.14 O ATOM 1021 CB ARG A 62 -1.087 14.293 -1.314 1.00 12.05 C ATOM 1022 CG ARG A 62 -1.598 15.719 -1.105 1.00 44.41 C ATOM 1023 CD ARG A 62 -1.935 16.395 -2.428 1.00 74.01 C ATOM 1024 NE ARG A 62 -2.819 17.545 -2.256 1.00 55.43 N ATOM 1025 CZ ARG A 62 -2.425 18.787 -2.196 1.00 62.50 C ATOM 1026 NH1 ARG A 62 -1.167 19.086 -2.145 1.00 12.15 N ATOM 1027 NH2 ARG A 62 -3.309 19.731 -2.144 1.00 41.41 N ATOM 0 H ARG A 62 1.113 14.788 -0.257 1.00 1.22 H new ATOM 0 HA ARG A 62 -1.360 13.767 0.753 1.00 0.21 H new ATOM 0 HB2 ARG A 62 -0.263 14.313 -2.027 1.00 12.05 H new ATOM 0 HB3 ARG A 62 -1.881 13.695 -1.761 1.00 12.05 H new ATOM 0 HG2 ARG A 62 -2.484 15.699 -0.470 1.00 44.41 H new ATOM 0 HG3 ARG A 62 -0.843 16.303 -0.580 1.00 44.41 H new ATOM 0 HD2 ARG A 62 -1.014 16.718 -2.913 1.00 74.01 H new ATOM 0 HD3 ARG A 62 -2.409 15.672 -3.092 1.00 74.01 H new ATOM 0 HE ARG A 62 -3.820 17.363 -2.177 1.00 55.43 H new ATOM 0 HH11 ARG A 62 -0.466 18.345 -2.151 1.00 12.15 H new ATOM 0 HH12 ARG A 62 -0.876 20.063 -2.098 1.00 12.15 H new ATOM 0 HH21 ARG A 62 -4.303 19.500 -2.150 1.00 41.41 H new ATOM 0 HH22 ARG A 62 -3.012 20.706 -2.097 1.00 41.41 H new ATOM 1041 N ILE A 63 0.740 11.653 -0.544 1.00 22.12 N ATOM 1042 CA ILE A 63 1.033 10.225 -0.682 1.00 63.25 C ATOM 1043 C ILE A 63 2.304 9.870 0.102 1.00 24.42 C ATOM 1044 O ILE A 63 3.369 10.443 -0.132 1.00 33.41 O ATOM 1045 CB ILE A 63 1.236 9.815 -2.167 1.00 62.20 C ATOM 1046 CG1 ILE A 63 0.018 10.206 -3.028 1.00 54.02 C ATOM 1047 CG2 ILE A 63 1.505 8.315 -2.270 1.00 33.11 C ATOM 1048 CD1 ILE A 63 -1.267 9.492 -2.651 1.00 22.11 C ATOM 0 H ILE A 63 1.545 12.261 -0.695 1.00 22.12 H new ATOM 0 HA ILE A 63 0.175 9.682 -0.285 1.00 63.25 H new ATOM 0 HB ILE A 63 2.102 10.355 -2.551 1.00 62.20 H new ATOM 0 HG12 ILE A 63 -0.140 11.281 -2.946 1.00 54.02 H new ATOM 0 HG13 ILE A 63 0.244 9.995 -4.073 1.00 54.02 H new ATOM 0 HG21 ILE A 63 1.645 8.041 -3.316 1.00 33.11 H new ATOM 0 HG22 ILE A 63 2.404 8.067 -1.706 1.00 33.11 H new ATOM 0 HG23 ILE A 63 0.658 7.764 -1.862 1.00 33.11 H new ATOM 0 HD11 ILE A 63 -2.073 9.824 -3.305 1.00 22.11 H new ATOM 0 HD12 ILE A 63 -1.131 8.416 -2.761 1.00 22.11 H new ATOM 0 HD13 ILE A 63 -1.521 9.722 -1.616 1.00 22.11 H new ATOM 1060 N SER A 64 2.198 8.911 1.017 1.00 64.02 N ATOM 1061 CA SER A 64 3.347 8.501 1.835 1.00 32.14 C ATOM 1062 C SER A 64 3.242 7.032 2.248 1.00 54.40 C ATOM 1063 O SER A 64 2.146 6.511 2.471 1.00 40.32 O ATOM 1064 CB SER A 64 3.468 9.383 3.089 1.00 11.43 C ATOM 1065 OG SER A 64 2.359 9.211 3.959 1.00 60.42 O ATOM 0 H SER A 64 1.336 8.403 1.214 1.00 64.02 H new ATOM 0 HA SER A 64 4.241 8.626 1.223 1.00 32.14 H new ATOM 0 HB2 SER A 64 4.388 9.138 3.619 1.00 11.43 H new ATOM 0 HB3 SER A 64 3.540 10.430 2.793 1.00 11.43 H new ATOM 0 HG SER A 64 2.469 9.784 4.746 1.00 60.42 H new ATOM 1071 N LEU A 65 4.390 6.372 2.351 1.00 75.31 N ATOM 1072 CA LEU A 65 4.452 4.946 2.693 1.00 71.11 C ATOM 1073 C LEU A 65 5.548 4.669 3.731 1.00 72.33 C ATOM 1074 O LEU A 65 6.654 5.207 3.633 1.00 22.34 O ATOM 1075 CB LEU A 65 4.731 4.119 1.426 1.00 70.31 C ATOM 1076 CG LEU A 65 4.890 2.600 1.640 1.00 51.54 C ATOM 1077 CD1 LEU A 65 3.568 1.965 2.056 1.00 5.41 C ATOM 1078 CD2 LEU A 65 5.447 1.935 0.384 1.00 21.22 C ATOM 0 H LEU A 65 5.302 6.803 2.202 1.00 75.31 H new ATOM 0 HA LEU A 65 3.491 4.660 3.121 1.00 71.11 H new ATOM 0 HB2 LEU A 65 3.917 4.285 0.720 1.00 70.31 H new ATOM 0 HB3 LEU A 65 5.640 4.499 0.959 1.00 70.31 H new ATOM 0 HG LEU A 65 5.602 2.444 2.450 1.00 51.54 H new ATOM 0 HD11 LEU A 65 3.708 0.894 2.200 1.00 5.41 H new ATOM 0 HD12 LEU A 65 3.226 2.415 2.988 1.00 5.41 H new ATOM 0 HD13 LEU A 65 2.823 2.132 1.278 1.00 5.41 H new ATOM 0 HD21 LEU A 65 5.552 0.864 0.555 1.00 21.22 H new ATOM 0 HD22 LEU A 65 4.766 2.104 -0.450 1.00 21.22 H new ATOM 0 HD23 LEU A 65 6.422 2.362 0.148 1.00 21.22 H new ATOM 1090 N TYR A 66 5.240 3.842 4.728 1.00 75.52 N ATOM 1091 CA TYR A 66 6.252 3.390 5.690 1.00 64.52 C ATOM 1092 C TYR A 66 6.019 1.928 6.102 1.00 44.24 C ATOM 1093 O TYR A 66 4.876 1.473 6.203 1.00 70.31 O ATOM 1094 CB TYR A 66 6.275 4.302 6.931 1.00 41.03 C ATOM 1095 CG TYR A 66 5.093 4.138 7.871 1.00 60.04 C ATOM 1096 CD1 TYR A 66 3.905 4.833 7.662 1.00 63.20 C ATOM 1097 CD2 TYR A 66 5.174 3.295 8.976 1.00 44.40 C ATOM 1098 CE1 TYR A 66 2.835 4.689 8.527 1.00 50.03 C ATOM 1099 CE2 TYR A 66 4.112 3.147 9.842 1.00 15.45 C ATOM 1100 CZ TYR A 66 2.945 3.844 9.615 1.00 34.31 C ATOM 1101 OH TYR A 66 1.882 3.695 10.483 1.00 53.12 O ATOM 0 H TYR A 66 4.304 3.471 4.893 1.00 75.52 H new ATOM 0 HA TYR A 66 7.223 3.450 5.198 1.00 64.52 H new ATOM 0 HB2 TYR A 66 7.192 4.109 7.488 1.00 41.03 H new ATOM 0 HB3 TYR A 66 6.315 5.340 6.600 1.00 41.03 H new ATOM 0 HD1 TYR A 66 3.817 5.494 6.812 1.00 63.20 H new ATOM 0 HD2 TYR A 66 6.086 2.747 9.158 1.00 44.40 H new ATOM 0 HE1 TYR A 66 1.919 5.234 8.353 1.00 50.03 H new ATOM 0 HE2 TYR A 66 4.194 2.488 10.694 1.00 15.45 H new ATOM 0 HH TYR A 66 2.125 3.064 11.193 1.00 53.12 H new ATOM 1111 N GLN A 67 7.107 1.192 6.317 1.00 4.14 N ATOM 1112 CA GLN A 67 7.025 -0.178 6.836 1.00 33.13 C ATOM 1113 C GLN A 67 7.612 -0.268 8.252 1.00 53.40 C ATOM 1114 O GLN A 67 8.724 0.198 8.514 1.00 32.23 O ATOM 1115 CB GLN A 67 7.745 -1.169 5.906 1.00 53.40 C ATOM 1116 CG GLN A 67 9.229 -0.875 5.700 1.00 42.25 C ATOM 1117 CD GLN A 67 9.963 -2.018 5.020 1.00 34.42 C ATOM 1118 OE1 GLN A 67 10.498 -2.908 5.676 1.00 65.22 O ATOM 1119 NE2 GLN A 67 9.995 -2.010 3.707 1.00 71.43 N ATOM 0 H GLN A 67 8.057 1.518 6.141 1.00 4.14 H new ATOM 0 HA GLN A 67 5.969 -0.447 6.878 1.00 33.13 H new ATOM 0 HB2 GLN A 67 7.639 -2.174 6.314 1.00 53.40 H new ATOM 0 HB3 GLN A 67 7.248 -1.165 4.936 1.00 53.40 H new ATOM 0 HG2 GLN A 67 9.337 0.029 5.100 1.00 42.25 H new ATOM 0 HG3 GLN A 67 9.693 -0.674 6.666 1.00 42.25 H new ATOM 0 HE21 GLN A 67 9.541 -1.257 3.190 1.00 71.43 H new ATOM 0 HE22 GLN A 67 10.474 -2.757 3.204 1.00 71.43 H new ATOM 1128 N ASP A 68 6.853 -0.865 9.162 1.00 60.43 N ATOM 1129 CA ASP A 68 7.296 -1.058 10.543 1.00 71.42 C ATOM 1130 C ASP A 68 8.240 -2.272 10.652 1.00 43.31 C ATOM 1131 O ASP A 68 8.267 -3.134 9.768 1.00 73.21 O ATOM 1132 CB ASP A 68 6.074 -1.238 11.453 1.00 3.53 C ATOM 1133 CG ASP A 68 6.446 -1.290 12.923 1.00 11.21 C ATOM 1134 OD1 ASP A 68 6.698 -0.224 13.514 1.00 41.05 O ATOM 1135 OD2 ASP A 68 6.511 -2.403 13.483 1.00 63.32 O ATOM 0 H ASP A 68 5.919 -1.228 8.969 1.00 60.43 H new ATOM 0 HA ASP A 68 7.852 -0.176 10.862 1.00 71.42 H new ATOM 0 HB2 ASP A 68 5.377 -0.416 11.287 1.00 3.53 H new ATOM 0 HB3 ASP A 68 5.554 -2.157 11.180 1.00 3.53 H new ATOM 1140 N ASN A 69 9.003 -2.343 11.741 1.00 3.03 N ATOM 1141 CA ASN A 69 9.970 -3.431 11.943 1.00 13.13 C ATOM 1142 C ASN A 69 9.267 -4.798 12.092 1.00 42.32 C ATOM 1143 O ASN A 69 9.873 -5.846 11.871 1.00 13.11 O ATOM 1144 CB ASN A 69 10.841 -3.130 13.170 1.00 43.23 C ATOM 1145 CG ASN A 69 11.985 -4.114 13.343 1.00 32.53 C ATOM 1146 OD1 ASN A 69 11.859 -5.122 14.024 1.00 63.35 O ATOM 1147 ND2 ASN A 69 13.114 -3.826 12.730 1.00 30.45 N ATOM 0 H ASN A 69 8.974 -1.662 12.500 1.00 3.03 H new ATOM 0 HA ASN A 69 10.605 -3.491 11.059 1.00 13.13 H new ATOM 0 HB2 ASN A 69 11.246 -2.122 13.082 1.00 43.23 H new ATOM 0 HB3 ASN A 69 10.217 -3.146 14.064 1.00 43.23 H new ATOM 0 HD21 ASN A 69 13.915 -4.452 12.816 1.00 30.45 H new ATOM 0 HD22 ASN A 69 13.188 -2.977 12.169 1.00 30.45 H new ATOM 1154 N THR A 70 7.982 -4.779 12.464 1.00 71.11 N ATOM 1155 CA THR A 70 7.177 -6.013 12.576 1.00 21.03 C ATOM 1156 C THR A 70 6.665 -6.490 11.211 1.00 70.22 C ATOM 1157 O THR A 70 5.993 -7.519 11.116 1.00 65.44 O ATOM 1158 CB THR A 70 5.949 -5.817 13.497 1.00 14.15 C ATOM 1159 OG1 THR A 70 5.066 -4.827 12.939 1.00 53.23 O ATOM 1160 CG2 THR A 70 6.373 -5.393 14.896 1.00 54.14 C ATOM 0 H THR A 70 7.472 -3.926 12.694 1.00 71.11 H new ATOM 0 HA THR A 70 7.846 -6.761 13.002 1.00 21.03 H new ATOM 0 HB THR A 70 5.428 -6.772 13.569 1.00 14.15 H new ATOM 0 HG1 THR A 70 5.446 -3.934 13.079 1.00 53.23 H new ATOM 0 HG21 THR A 70 5.489 -5.263 15.520 1.00 54.14 H new ATOM 0 HG22 THR A 70 7.014 -6.160 15.330 1.00 54.14 H new ATOM 0 HG23 THR A 70 6.920 -4.452 14.841 1.00 54.14 H new ATOM 1168 N GLY A 71 6.976 -5.736 10.156 1.00 54.11 N ATOM 1169 CA GLY A 71 6.489 -6.074 8.822 1.00 61.22 C ATOM 1170 C GLY A 71 5.139 -5.439 8.499 1.00 32.42 C ATOM 1171 O GLY A 71 4.506 -5.783 7.500 1.00 1.32 O ATOM 0 H GLY A 71 7.556 -4.898 10.199 1.00 54.11 H new ATOM 0 HA2 GLY A 71 7.222 -5.752 8.082 1.00 61.22 H new ATOM 0 HA3 GLY A 71 6.404 -7.157 8.736 1.00 61.22 H new ATOM 1175 N ARG A 72 4.693 -4.519 9.350 1.00 64.41 N ATOM 1176 CA ARG A 72 3.441 -3.793 9.118 1.00 44.05 C ATOM 1177 C ARG A 72 3.618 -2.702 8.049 1.00 40.34 C ATOM 1178 O ARG A 72 4.320 -1.715 8.263 1.00 73.25 O ATOM 1179 CB ARG A 72 2.935 -3.167 10.426 1.00 33.55 C ATOM 1180 CG ARG A 72 1.691 -2.297 10.250 1.00 32.45 C ATOM 1181 CD ARG A 72 1.203 -1.721 11.577 1.00 24.01 C ATOM 1182 NE ARG A 72 0.742 -2.764 12.493 1.00 60.01 N ATOM 1183 CZ ARG A 72 0.381 -2.555 13.732 1.00 54.21 C ATOM 1184 NH1 ARG A 72 0.398 -1.365 14.240 1.00 43.05 N ATOM 1185 NH2 ARG A 72 -0.014 -3.546 14.461 1.00 21.15 N ATOM 0 H ARG A 72 5.178 -4.256 10.208 1.00 64.41 H new ATOM 0 HA ARG A 72 2.704 -4.509 8.755 1.00 44.05 H new ATOM 0 HB2 ARG A 72 2.713 -3.963 11.137 1.00 33.55 H new ATOM 0 HB3 ARG A 72 3.731 -2.563 10.861 1.00 33.55 H new ATOM 0 HG2 ARG A 72 1.913 -1.482 9.561 1.00 32.45 H new ATOM 0 HG3 ARG A 72 0.896 -2.889 9.798 1.00 32.45 H new ATOM 0 HD2 ARG A 72 2.010 -1.158 12.046 1.00 24.01 H new ATOM 0 HD3 ARG A 72 0.391 -1.018 11.390 1.00 24.01 H new ATOM 0 HE ARG A 72 0.699 -3.720 12.141 1.00 60.01 H new ATOM 0 HH11 ARG A 72 0.696 -0.572 13.672 1.00 43.05 H new ATOM 0 HH12 ARG A 72 0.113 -1.220 15.209 1.00 43.05 H new ATOM 0 HH21 ARG A 72 -0.043 -4.487 14.069 1.00 21.15 H new ATOM 0 HH22 ARG A 72 -0.296 -3.387 15.428 1.00 21.15 H new ATOM 1199 N VAL A 73 2.972 -2.884 6.903 1.00 62.31 N ATOM 1200 CA VAL A 73 3.021 -1.904 5.813 1.00 1.01 C ATOM 1201 C VAL A 73 1.827 -0.948 5.899 1.00 63.14 C ATOM 1202 O VAL A 73 0.695 -1.382 6.102 1.00 41.21 O ATOM 1203 CB VAL A 73 3.010 -2.609 4.434 1.00 74.53 C ATOM 1204 CG1 VAL A 73 3.024 -1.589 3.295 1.00 45.11 C ATOM 1205 CG2 VAL A 73 4.187 -3.575 4.317 1.00 42.13 C ATOM 0 H VAL A 73 2.403 -3.706 6.699 1.00 62.31 H new ATOM 0 HA VAL A 73 3.948 -1.340 5.916 1.00 1.01 H new ATOM 0 HB VAL A 73 2.087 -3.183 4.353 1.00 74.53 H new ATOM 0 HG11 VAL A 73 3.016 -2.112 2.338 1.00 45.11 H new ATOM 0 HG12 VAL A 73 2.143 -0.951 3.367 1.00 45.11 H new ATOM 0 HG13 VAL A 73 3.923 -0.976 3.366 1.00 45.11 H new ATOM 0 HG21 VAL A 73 4.163 -4.061 3.342 1.00 42.13 H new ATOM 0 HG22 VAL A 73 5.122 -3.025 4.425 1.00 42.13 H new ATOM 0 HG23 VAL A 73 4.118 -4.330 5.100 1.00 42.13 H new ATOM 1215 N THR A 74 2.076 0.353 5.779 1.00 75.40 N ATOM 1216 CA THR A 74 0.995 1.344 5.869 1.00 53.01 C ATOM 1217 C THR A 74 1.123 2.449 4.813 1.00 60.02 C ATOM 1218 O THR A 74 2.118 3.177 4.773 1.00 11.12 O ATOM 1219 CB THR A 74 0.946 1.995 7.270 1.00 5.31 C ATOM 1220 OG1 THR A 74 0.822 0.980 8.280 1.00 63.14 O ATOM 1221 CG2 THR A 74 -0.226 2.970 7.387 1.00 4.22 C ATOM 0 H THR A 74 3.003 0.748 5.621 1.00 75.40 H new ATOM 0 HA THR A 74 0.071 0.796 5.685 1.00 53.01 H new ATOM 0 HB THR A 74 1.874 2.548 7.414 1.00 5.31 H new ATOM 0 HG1 THR A 74 0.793 1.401 9.165 1.00 63.14 H new ATOM 0 HG21 THR A 74 -0.234 3.412 8.383 1.00 4.22 H new ATOM 0 HG22 THR A 74 -0.119 3.758 6.642 1.00 4.22 H new ATOM 0 HG23 THR A 74 -1.161 2.436 7.219 1.00 4.22 H new ATOM 1229 N LEU A 75 0.103 2.566 3.969 1.00 10.24 N ATOM 1230 CA LEU A 75 0.019 3.634 2.971 1.00 2.50 C ATOM 1231 C LEU A 75 -0.981 4.713 3.422 1.00 42.44 C ATOM 1232 O LEU A 75 -2.131 4.408 3.758 1.00 4.25 O ATOM 1233 CB LEU A 75 -0.413 3.052 1.616 1.00 11.43 C ATOM 1234 CG LEU A 75 -0.548 4.069 0.467 1.00 15.41 C ATOM 1235 CD1 LEU A 75 0.799 4.714 0.148 1.00 61.31 C ATOM 1236 CD2 LEU A 75 -1.136 3.403 -0.776 1.00 3.23 C ATOM 0 H LEU A 75 -0.690 1.925 3.955 1.00 10.24 H new ATOM 0 HA LEU A 75 1.003 4.092 2.866 1.00 2.50 H new ATOM 0 HB2 LEU A 75 0.310 2.291 1.321 1.00 11.43 H new ATOM 0 HB3 LEU A 75 -1.371 2.548 1.746 1.00 11.43 H new ATOM 0 HG LEU A 75 -1.230 4.855 0.790 1.00 15.41 H new ATOM 0 HD11 LEU A 75 0.677 5.428 -0.667 1.00 61.31 H new ATOM 0 HD12 LEU A 75 1.173 5.232 1.031 1.00 61.31 H new ATOM 0 HD13 LEU A 75 1.510 3.943 -0.149 1.00 61.31 H new ATOM 0 HD21 LEU A 75 -1.223 4.138 -1.576 1.00 3.23 H new ATOM 0 HD22 LEU A 75 -0.482 2.592 -1.098 1.00 3.23 H new ATOM 0 HD23 LEU A 75 -2.122 3.003 -0.542 1.00 3.23 H new ATOM 1248 N LEU A 76 -0.537 5.967 3.436 1.00 54.12 N ATOM 1249 CA LEU A 76 -1.386 7.094 3.844 1.00 64.42 C ATOM 1250 C LEU A 76 -1.621 8.058 2.673 1.00 43.43 C ATOM 1251 O LEU A 76 -0.671 8.606 2.106 1.00 54.13 O ATOM 1252 CB LEU A 76 -0.740 7.844 5.019 1.00 30.42 C ATOM 1253 CG LEU A 76 -0.521 7.009 6.293 1.00 30.14 C ATOM 1254 CD1 LEU A 76 0.190 7.833 7.366 1.00 75.13 C ATOM 1255 CD2 LEU A 76 -1.852 6.469 6.813 1.00 60.52 C ATOM 0 H LEU A 76 0.410 6.234 3.169 1.00 54.12 H new ATOM 0 HA LEU A 76 -2.351 6.696 4.159 1.00 64.42 H new ATOM 0 HB2 LEU A 76 0.223 8.237 4.692 1.00 30.42 H new ATOM 0 HB3 LEU A 76 -1.366 8.701 5.269 1.00 30.42 H new ATOM 0 HG LEU A 76 0.117 6.161 6.043 1.00 30.14 H new ATOM 0 HD11 LEU A 76 0.334 7.223 8.257 1.00 75.13 H new ATOM 0 HD12 LEU A 76 1.159 8.161 6.990 1.00 75.13 H new ATOM 0 HD13 LEU A 76 -0.416 8.704 7.617 1.00 75.13 H new ATOM 0 HD21 LEU A 76 -1.679 5.881 7.714 1.00 60.52 H new ATOM 0 HD22 LEU A 76 -2.517 7.301 7.045 1.00 60.52 H new ATOM 0 HD23 LEU A 76 -2.312 5.839 6.051 1.00 60.52 H new ATOM 1267 N ILE A 77 -2.891 8.262 2.321 1.00 61.23 N ATOM 1268 CA ILE A 77 -3.266 9.132 1.198 1.00 31.53 C ATOM 1269 C ILE A 77 -4.137 10.314 1.669 1.00 23.34 C ATOM 1270 O ILE A 77 -5.232 10.120 2.200 1.00 15.12 O ATOM 1271 CB ILE A 77 -4.024 8.323 0.113 1.00 41.41 C ATOM 1272 CG1 ILE A 77 -3.149 7.155 -0.386 1.00 0.33 C ATOM 1273 CG2 ILE A 77 -4.447 9.227 -1.046 1.00 41.04 C ATOM 1274 CD1 ILE A 77 -3.843 6.233 -1.371 1.00 65.13 C ATOM 0 H ILE A 77 -3.684 7.835 2.799 1.00 61.23 H new ATOM 0 HA ILE A 77 -2.346 9.532 0.771 1.00 31.53 H new ATOM 0 HB ILE A 77 -4.930 7.910 0.557 1.00 41.41 H new ATOM 0 HG12 ILE A 77 -2.254 7.562 -0.856 1.00 0.33 H new ATOM 0 HG13 ILE A 77 -2.821 6.569 0.473 1.00 0.33 H new ATOM 0 HG21 ILE A 77 -4.977 8.636 -1.794 1.00 41.04 H new ATOM 0 HG22 ILE A 77 -5.103 10.013 -0.673 1.00 41.04 H new ATOM 0 HG23 ILE A 77 -3.563 9.676 -1.498 1.00 41.04 H new ATOM 0 HD11 ILE A 77 -3.158 5.440 -1.671 1.00 65.13 H new ATOM 0 HD12 ILE A 77 -4.723 5.794 -0.901 1.00 65.13 H new ATOM 0 HD13 ILE A 77 -4.147 6.802 -2.250 1.00 65.13 H new ATOM 1286 N LYS A 78 -3.639 11.536 1.478 1.00 41.34 N ATOM 1287 CA LYS A 78 -4.337 12.754 1.919 1.00 62.22 C ATOM 1288 C LYS A 78 -4.817 13.601 0.726 1.00 20.01 C ATOM 1289 O LYS A 78 -4.205 13.580 -0.342 1.00 15.33 O ATOM 1290 CB LYS A 78 -3.403 13.608 2.788 1.00 23.00 C ATOM 1291 CG LYS A 78 -2.710 12.848 3.914 1.00 70.41 C ATOM 1292 CD LYS A 78 -1.785 13.768 4.709 1.00 73.42 C ATOM 1293 CE LYS A 78 -0.955 13.009 5.738 1.00 54.24 C ATOM 1294 NZ LYS A 78 -0.088 13.925 6.526 1.00 12.32 N ATOM 0 H LYS A 78 -2.747 11.714 1.017 1.00 41.34 H new ATOM 0 HA LYS A 78 -5.208 12.439 2.493 1.00 62.22 H new ATOM 0 HB2 LYS A 78 -2.643 14.056 2.148 1.00 23.00 H new ATOM 0 HB3 LYS A 78 -3.978 14.426 3.221 1.00 23.00 H new ATOM 0 HG2 LYS A 78 -3.457 12.415 4.579 1.00 70.41 H new ATOM 0 HG3 LYS A 78 -2.136 12.020 3.499 1.00 70.41 H new ATOM 0 HD2 LYS A 78 -1.119 14.290 4.022 1.00 73.42 H new ATOM 0 HD3 LYS A 78 -2.380 14.528 5.215 1.00 73.42 H new ATOM 0 HE2 LYS A 78 -1.618 12.466 6.411 1.00 54.24 H new ATOM 0 HE3 LYS A 78 -0.337 12.267 5.232 1.00 54.24 H new ATOM 0 HZ1 LYS A 78 0.499 13.370 7.181 1.00 12.32 H new ATOM 0 HZ2 LYS A 78 0.526 14.462 5.881 1.00 12.32 H new ATOM 0 HZ3 LYS A 78 -0.682 14.584 7.068 1.00 12.32 H new ATOM 1308 N ASP A 79 -5.909 14.353 0.926 1.00 32.12 N ATOM 1309 CA ASP A 79 -6.432 15.281 -0.094 1.00 51.10 C ATOM 1310 C ASP A 79 -6.689 14.545 -1.426 1.00 34.33 C ATOM 1311 O ASP A 79 -6.450 15.072 -2.514 1.00 71.13 O ATOM 1312 CB ASP A 79 -5.446 16.452 -0.279 1.00 12.21 C ATOM 1313 CG ASP A 79 -6.048 17.632 -1.031 1.00 1.11 C ATOM 1314 OD1 ASP A 79 -6.905 18.333 -0.459 1.00 35.31 O ATOM 1315 OD2 ASP A 79 -5.647 17.883 -2.189 1.00 23.31 O ATOM 0 H ASP A 79 -6.452 14.338 1.789 1.00 32.12 H new ATOM 0 HA ASP A 79 -7.388 15.682 0.243 1.00 51.10 H new ATOM 0 HB2 ASP A 79 -5.105 16.789 0.700 1.00 12.21 H new ATOM 0 HB3 ASP A 79 -4.567 16.097 -0.817 1.00 12.21 H new ATOM 1320 N VAL A 80 -7.198 13.321 -1.317 1.00 43.04 N ATOM 1321 CA VAL A 80 -7.412 12.449 -2.476 1.00 22.21 C ATOM 1322 C VAL A 80 -8.571 12.946 -3.367 1.00 53.25 C ATOM 1323 O VAL A 80 -9.589 13.424 -2.867 1.00 63.40 O ATOM 1324 CB VAL A 80 -7.707 10.999 -1.998 1.00 42.30 C ATOM 1325 CG1 VAL A 80 -9.088 10.898 -1.366 1.00 70.11 C ATOM 1326 CG2 VAL A 80 -7.568 9.993 -3.131 1.00 73.11 C ATOM 0 H VAL A 80 -7.474 12.904 -0.428 1.00 43.04 H new ATOM 0 HA VAL A 80 -6.501 12.467 -3.074 1.00 22.21 H new ATOM 0 HB VAL A 80 -6.962 10.755 -1.241 1.00 42.30 H new ATOM 0 HG11 VAL A 80 -9.266 9.873 -1.042 1.00 70.11 H new ATOM 0 HG12 VAL A 80 -9.144 11.566 -0.506 1.00 70.11 H new ATOM 0 HG13 VAL A 80 -9.844 11.183 -2.097 1.00 70.11 H new ATOM 0 HG21 VAL A 80 -7.782 8.992 -2.757 1.00 73.11 H new ATOM 0 HG22 VAL A 80 -8.271 10.241 -3.926 1.00 73.11 H new ATOM 0 HG23 VAL A 80 -6.551 10.024 -3.523 1.00 73.11 H new ATOM 1336 N ASN A 81 -8.400 12.863 -4.688 1.00 35.42 N ATOM 1337 CA ASN A 81 -9.491 13.167 -5.633 1.00 23.21 C ATOM 1338 C ASN A 81 -9.764 11.982 -6.577 1.00 14.22 C ATOM 1339 O ASN A 81 -9.078 10.964 -6.507 1.00 73.34 O ATOM 1340 CB ASN A 81 -9.194 14.458 -6.423 1.00 73.34 C ATOM 1341 CG ASN A 81 -7.831 14.491 -7.109 1.00 44.35 C ATOM 1342 OD1 ASN A 81 -7.332 13.357 -7.564 1.00 61.23 O flip ATOM 1343 ND2 ASN A 81 -7.231 15.551 -7.249 1.00 11.13 N flip ATOM 0 H ASN A 81 -7.523 12.590 -5.132 1.00 35.42 H new ATOM 0 HA ASN A 81 -10.397 13.334 -5.051 1.00 23.21 H new ATOM 0 HB2 ASN A 81 -9.968 14.591 -7.179 1.00 73.34 H new ATOM 0 HB3 ASN A 81 -9.263 15.307 -5.743 1.00 73.34 H new ATOM 0 HD21 ASN A 81 -7.634 16.416 -6.890 1.00 11.13 H new ATOM 0 HD22 ASN A 81 -6.329 15.567 -7.725 1.00 11.13 H new ATOM 1350 N LYS A 82 -10.750 12.126 -7.468 1.00 3.52 N ATOM 1351 CA LYS A 82 -11.121 11.050 -8.410 1.00 55.34 C ATOM 1352 C LYS A 82 -9.898 10.448 -9.135 1.00 13.13 C ATOM 1353 O LYS A 82 -9.829 9.236 -9.341 1.00 11.13 O ATOM 1354 CB LYS A 82 -12.128 11.572 -9.447 1.00 52.14 C ATOM 1355 CG LYS A 82 -13.530 11.846 -8.899 1.00 72.43 C ATOM 1356 CD LYS A 82 -14.236 10.559 -8.463 1.00 12.05 C ATOM 1357 CE LYS A 82 -15.744 10.744 -8.364 1.00 10.31 C ATOM 1358 NZ LYS A 82 -16.448 9.469 -8.051 1.00 44.44 N ATOM 0 H LYS A 82 -11.309 12.974 -7.561 1.00 3.52 H new ATOM 0 HA LYS A 82 -11.575 10.256 -7.817 1.00 55.34 H new ATOM 0 HB2 LYS A 82 -11.737 12.492 -9.881 1.00 52.14 H new ATOM 0 HB3 LYS A 82 -12.205 10.845 -10.256 1.00 52.14 H new ATOM 0 HG2 LYS A 82 -13.461 12.527 -8.051 1.00 72.43 H new ATOM 0 HG3 LYS A 82 -14.126 12.346 -9.662 1.00 72.43 H new ATOM 0 HD2 LYS A 82 -14.014 9.764 -9.175 1.00 12.05 H new ATOM 0 HD3 LYS A 82 -13.845 10.240 -7.497 1.00 12.05 H new ATOM 0 HE2 LYS A 82 -15.968 11.480 -7.592 1.00 10.31 H new ATOM 0 HE3 LYS A 82 -16.122 11.144 -9.305 1.00 10.31 H new ATOM 0 HZ1 LYS A 82 -17.384 9.679 -7.649 1.00 44.44 H new ATOM 0 HZ2 LYS A 82 -16.562 8.913 -8.922 1.00 44.44 H new ATOM 0 HZ3 LYS A 82 -15.890 8.924 -7.363 1.00 44.44 H new ATOM 1372 N LYS A 83 -8.940 11.296 -9.514 1.00 23.52 N ATOM 1373 CA LYS A 83 -7.718 10.840 -10.203 1.00 73.43 C ATOM 1374 C LYS A 83 -6.922 9.810 -9.382 1.00 43.14 C ATOM 1375 O LYS A 83 -6.276 8.923 -9.945 1.00 21.20 O ATOM 1376 CB LYS A 83 -6.817 12.040 -10.534 1.00 53.31 C ATOM 1377 CG LYS A 83 -7.408 12.991 -11.572 1.00 4.34 C ATOM 1378 CD LYS A 83 -7.632 12.299 -12.916 1.00 62.14 C ATOM 1379 CE LYS A 83 -6.323 11.819 -13.534 1.00 2.45 C ATOM 1380 NZ LYS A 83 -6.545 11.074 -14.799 1.00 63.01 N ATOM 0 H LYS A 83 -8.981 12.303 -9.358 1.00 23.52 H new ATOM 0 HA LYS A 83 -8.040 10.348 -11.121 1.00 73.43 H new ATOM 0 HB2 LYS A 83 -6.618 12.596 -9.618 1.00 53.31 H new ATOM 0 HB3 LYS A 83 -5.858 11.672 -10.898 1.00 53.31 H new ATOM 0 HG2 LYS A 83 -8.355 13.386 -11.205 1.00 4.34 H new ATOM 0 HG3 LYS A 83 -6.739 13.841 -11.708 1.00 4.34 H new ATOM 0 HD2 LYS A 83 -8.302 11.450 -12.780 1.00 62.14 H new ATOM 0 HD3 LYS A 83 -8.126 12.988 -13.601 1.00 62.14 H new ATOM 0 HE2 LYS A 83 -5.677 12.676 -13.727 1.00 2.45 H new ATOM 0 HE3 LYS A 83 -5.800 11.179 -12.823 1.00 2.45 H new ATOM 0 HZ1 LYS A 83 -5.630 10.766 -15.186 1.00 63.01 H new ATOM 0 HZ2 LYS A 83 -7.140 10.242 -14.612 1.00 63.01 H new ATOM 0 HZ3 LYS A 83 -7.021 11.692 -15.487 1.00 63.01 H new ATOM 1394 N ASP A 84 -6.973 9.929 -8.056 1.00 63.15 N ATOM 1395 CA ASP A 84 -6.207 9.045 -7.173 1.00 41.54 C ATOM 1396 C ASP A 84 -6.968 7.748 -6.850 1.00 2.31 C ATOM 1397 O ASP A 84 -6.454 6.888 -6.134 1.00 30.23 O ATOM 1398 CB ASP A 84 -5.855 9.764 -5.870 1.00 25.41 C ATOM 1399 CG ASP A 84 -5.118 11.070 -6.091 1.00 13.34 C ATOM 1400 OD1 ASP A 84 -3.941 11.038 -6.504 1.00 42.45 O ATOM 1401 OD2 ASP A 84 -5.715 12.142 -5.849 1.00 13.41 O ATOM 0 H ASP A 84 -7.535 10.627 -7.569 1.00 63.15 H new ATOM 0 HA ASP A 84 -5.294 8.778 -7.706 1.00 41.54 H new ATOM 0 HB2 ASP A 84 -6.770 9.960 -5.312 1.00 25.41 H new ATOM 0 HB3 ASP A 84 -5.241 9.107 -5.254 1.00 25.41 H new ATOM 1406 N ALA A 85 -8.194 7.601 -7.355 1.00 4.12 N ATOM 1407 CA ALA A 85 -8.938 6.358 -7.136 1.00 3.30 C ATOM 1408 C ALA A 85 -8.521 5.283 -8.150 1.00 72.13 C ATOM 1409 O ALA A 85 -8.293 5.573 -9.328 1.00 34.24 O ATOM 1410 CB ALA A 85 -10.437 6.617 -7.231 1.00 25.22 C ATOM 0 H ALA A 85 -8.684 8.307 -7.905 1.00 4.12 H new ATOM 0 HA ALA A 85 -8.704 5.993 -6.136 1.00 3.30 H new ATOM 0 HB1 ALA A 85 -10.978 5.685 -7.066 1.00 25.22 H new ATOM 0 HB2 ALA A 85 -10.729 7.345 -6.474 1.00 25.22 H new ATOM 0 HB3 ALA A 85 -10.677 7.006 -8.220 1.00 25.22 H new ATOM 1416 N GLY A 86 -8.424 4.043 -7.683 1.00 41.34 N ATOM 1417 CA GLY A 86 -8.039 2.938 -8.551 1.00 13.55 C ATOM 1418 C GLY A 86 -7.872 1.629 -7.789 1.00 32.35 C ATOM 1419 O GLY A 86 -8.194 1.542 -6.598 1.00 24.34 O ATOM 0 H GLY A 86 -8.605 3.779 -6.714 1.00 41.34 H new ATOM 0 HA2 GLY A 86 -8.794 2.809 -9.327 1.00 13.55 H new ATOM 0 HA3 GLY A 86 -7.104 3.184 -9.054 1.00 13.55 H new ATOM 1423 N TRP A 87 -7.362 0.610 -8.472 1.00 75.51 N ATOM 1424 CA TRP A 87 -6.918 -0.622 -7.808 1.00 54.31 C ATOM 1425 C TRP A 87 -5.406 -0.579 -7.533 1.00 73.05 C ATOM 1426 O TRP A 87 -4.600 -0.405 -8.444 1.00 13.42 O ATOM 1427 CB TRP A 87 -7.267 -1.856 -8.651 1.00 20.13 C ATOM 1428 CG TRP A 87 -8.647 -2.390 -8.387 1.00 64.20 C ATOM 1429 CD1 TRP A 87 -9.816 -1.996 -8.971 1.00 54.33 C ATOM 1430 CD2 TRP A 87 -8.992 -3.419 -7.452 1.00 61.11 C ATOM 1431 NE1 TRP A 87 -10.864 -2.730 -8.466 1.00 23.04 N ATOM 1432 CE2 TRP A 87 -10.382 -3.605 -7.531 1.00 4.31 C ATOM 1433 CE3 TRP A 87 -8.255 -4.207 -6.561 1.00 60.11 C ATOM 1434 CZ2 TRP A 87 -11.055 -4.541 -6.752 1.00 75.24 C ATOM 1435 CZ3 TRP A 87 -8.924 -5.134 -5.784 1.00 45.13 C ATOM 1436 CH2 TRP A 87 -10.310 -5.296 -5.887 1.00 4.23 C ATOM 0 H TRP A 87 -7.244 0.607 -9.485 1.00 75.51 H new ATOM 0 HA TRP A 87 -7.443 -0.695 -6.856 1.00 54.31 H new ATOM 0 HB2 TRP A 87 -7.180 -1.601 -9.707 1.00 20.13 H new ATOM 0 HB3 TRP A 87 -6.538 -2.641 -8.451 1.00 20.13 H new ATOM 0 HD1 TRP A 87 -9.905 -1.222 -9.719 1.00 54.33 H new ATOM 0 HE1 TRP A 87 -11.841 -2.637 -8.743 1.00 23.04 H new ATOM 0 HE3 TRP A 87 -7.184 -4.093 -6.482 1.00 60.11 H new ATOM 0 HZ2 TRP A 87 -12.125 -4.667 -6.827 1.00 75.24 H new ATOM 0 HZ3 TRP A 87 -8.368 -5.743 -5.086 1.00 45.13 H new ATOM 0 HH2 TRP A 87 -10.803 -6.033 -5.270 1.00 4.23 H new ATOM 1447 N TYR A 88 -5.034 -0.744 -6.271 1.00 64.24 N ATOM 1448 CA TYR A 88 -3.629 -0.716 -5.856 1.00 32.14 C ATOM 1449 C TYR A 88 -3.020 -2.126 -5.819 1.00 70.33 C ATOM 1450 O TYR A 88 -3.642 -3.078 -5.351 1.00 20.32 O ATOM 1451 CB TYR A 88 -3.495 -0.055 -4.473 1.00 14.33 C ATOM 1452 CG TYR A 88 -3.713 1.448 -4.479 1.00 70.53 C ATOM 1453 CD1 TYR A 88 -4.988 1.991 -4.593 1.00 44.45 C ATOM 1454 CD2 TYR A 88 -2.635 2.325 -4.373 1.00 31.43 C ATOM 1455 CE1 TYR A 88 -5.183 3.359 -4.603 1.00 50.31 C ATOM 1456 CE2 TYR A 88 -2.825 3.692 -4.378 1.00 41.24 C ATOM 1457 CZ TYR A 88 -4.098 4.204 -4.495 1.00 32.45 C ATOM 1458 OH TYR A 88 -4.283 5.567 -4.513 1.00 42.12 O ATOM 0 H TYR A 88 -5.690 -0.901 -5.506 1.00 64.24 H new ATOM 0 HA TYR A 88 -3.081 -0.131 -6.594 1.00 32.14 H new ATOM 0 HB2 TYR A 88 -4.213 -0.513 -3.793 1.00 14.33 H new ATOM 0 HB3 TYR A 88 -2.502 -0.265 -4.077 1.00 14.33 H new ATOM 0 HD1 TYR A 88 -5.840 1.333 -4.675 1.00 44.45 H new ATOM 0 HD2 TYR A 88 -1.634 1.928 -4.285 1.00 31.43 H new ATOM 0 HE1 TYR A 88 -6.180 3.765 -4.695 1.00 50.31 H new ATOM 0 HE2 TYR A 88 -1.979 4.357 -4.291 1.00 41.24 H new ATOM 0 HH TYR A 88 -5.060 5.784 -5.069 1.00 42.12 H new ATOM 1468 N THR A 89 -1.800 -2.245 -6.324 1.00 60.54 N ATOM 1469 CA THR A 89 -1.066 -3.512 -6.322 1.00 14.34 C ATOM 1470 C THR A 89 0.189 -3.383 -5.452 1.00 55.53 C ATOM 1471 O THR A 89 1.116 -2.654 -5.805 1.00 74.11 O ATOM 1472 CB THR A 89 -0.627 -3.921 -7.754 1.00 42.12 C ATOM 1473 OG1 THR A 89 -1.696 -3.720 -8.698 1.00 2.12 O ATOM 1474 CG2 THR A 89 -0.187 -5.381 -7.794 1.00 41.11 C ATOM 0 H THR A 89 -1.288 -1.470 -6.747 1.00 60.54 H new ATOM 0 HA THR A 89 -1.735 -4.276 -5.926 1.00 14.34 H new ATOM 0 HB THR A 89 0.216 -3.287 -8.029 1.00 42.12 H new ATOM 0 HG1 THR A 89 -2.407 -4.373 -8.531 1.00 2.12 H new ATOM 0 HG21 THR A 89 0.115 -5.642 -8.808 1.00 41.11 H new ATOM 0 HG22 THR A 89 0.654 -5.526 -7.116 1.00 41.11 H new ATOM 0 HG23 THR A 89 -1.015 -6.019 -7.487 1.00 41.11 H new ATOM 1482 N VAL A 90 0.217 -4.070 -4.315 1.00 5.03 N ATOM 1483 CA VAL A 90 1.365 -3.996 -3.405 1.00 11.52 C ATOM 1484 C VAL A 90 2.284 -5.221 -3.552 1.00 0.31 C ATOM 1485 O VAL A 90 1.897 -6.353 -3.252 1.00 34.52 O ATOM 1486 CB VAL A 90 0.918 -3.833 -1.926 1.00 33.33 C ATOM 1487 CG1 VAL A 90 -0.092 -4.914 -1.530 1.00 73.50 C ATOM 1488 CG2 VAL A 90 2.130 -3.835 -0.987 1.00 52.02 C ATOM 0 H VAL A 90 -0.535 -4.682 -3.999 1.00 5.03 H new ATOM 0 HA VAL A 90 1.931 -3.108 -3.687 1.00 11.52 H new ATOM 0 HB VAL A 90 0.420 -2.868 -1.830 1.00 33.33 H new ATOM 0 HG11 VAL A 90 -0.386 -4.774 -0.490 1.00 73.50 H new ATOM 0 HG12 VAL A 90 -0.972 -4.841 -2.169 1.00 73.50 H new ATOM 0 HG13 VAL A 90 0.362 -5.898 -1.649 1.00 73.50 H new ATOM 0 HG21 VAL A 90 1.792 -3.720 0.043 1.00 52.02 H new ATOM 0 HG22 VAL A 90 2.668 -4.778 -1.089 1.00 52.02 H new ATOM 0 HG23 VAL A 90 2.793 -3.009 -1.246 1.00 52.02 H new ATOM 1498 N SER A 91 3.500 -4.977 -4.030 1.00 41.13 N ATOM 1499 CA SER A 91 4.501 -6.036 -4.222 1.00 72.31 C ATOM 1500 C SER A 91 5.662 -5.887 -3.230 1.00 0.33 C ATOM 1501 O SER A 91 6.255 -4.813 -3.109 1.00 21.00 O ATOM 1502 CB SER A 91 5.046 -6.002 -5.661 1.00 63.22 C ATOM 1503 OG SER A 91 4.006 -6.186 -6.615 1.00 22.20 O ATOM 0 H SER A 91 3.824 -4.047 -4.296 1.00 41.13 H new ATOM 0 HA SER A 91 4.011 -6.993 -4.042 1.00 72.31 H new ATOM 0 HB2 SER A 91 5.542 -5.048 -5.841 1.00 63.22 H new ATOM 0 HB3 SER A 91 5.798 -6.781 -5.785 1.00 63.22 H new ATOM 0 HG SER A 91 4.383 -6.158 -7.519 1.00 22.20 H new ATOM 1509 N ALA A 92 5.978 -6.964 -2.520 1.00 61.42 N ATOM 1510 CA ALA A 92 7.077 -6.966 -1.549 1.00 32.33 C ATOM 1511 C ALA A 92 8.153 -7.995 -1.932 1.00 72.14 C ATOM 1512 O ALA A 92 7.896 -9.203 -1.944 1.00 31.30 O ATOM 1513 CB ALA A 92 6.540 -7.255 -0.151 1.00 64.11 C ATOM 0 H ALA A 92 5.488 -7.855 -2.596 1.00 61.42 H new ATOM 0 HA ALA A 92 7.539 -5.979 -1.555 1.00 32.33 H new ATOM 0 HB1 ALA A 92 7.364 -7.254 0.563 1.00 64.11 H new ATOM 0 HB2 ALA A 92 5.818 -6.487 0.127 1.00 64.11 H new ATOM 0 HB3 ALA A 92 6.054 -8.230 -0.143 1.00 64.11 H new ATOM 1519 N VAL A 93 9.359 -7.514 -2.239 1.00 10.43 N ATOM 1520 CA VAL A 93 10.450 -8.392 -2.696 1.00 1.01 C ATOM 1521 C VAL A 93 11.601 -8.497 -1.675 1.00 3.51 C ATOM 1522 O VAL A 93 12.273 -7.512 -1.354 1.00 54.33 O ATOM 1523 CB VAL A 93 11.004 -7.930 -4.073 1.00 11.02 C ATOM 1524 CG1 VAL A 93 11.505 -6.487 -4.014 1.00 42.12 C ATOM 1525 CG2 VAL A 93 12.106 -8.873 -4.562 1.00 34.35 C ATOM 0 H VAL A 93 9.609 -6.527 -2.182 1.00 10.43 H new ATOM 0 HA VAL A 93 10.014 -9.386 -2.800 1.00 1.01 H new ATOM 0 HB VAL A 93 10.184 -7.966 -4.790 1.00 11.02 H new ATOM 0 HG11 VAL A 93 11.886 -6.194 -4.992 1.00 42.12 H new ATOM 0 HG12 VAL A 93 10.684 -5.828 -3.732 1.00 42.12 H new ATOM 0 HG13 VAL A 93 12.303 -6.409 -3.276 1.00 42.12 H new ATOM 0 HG21 VAL A 93 12.478 -8.529 -5.527 1.00 34.35 H new ATOM 0 HG22 VAL A 93 12.923 -8.882 -3.841 1.00 34.35 H new ATOM 0 HG23 VAL A 93 11.703 -9.880 -4.667 1.00 34.35 H new ATOM 1535 N ASN A 94 11.798 -9.704 -1.147 1.00 4.02 N ATOM 1536 CA ASN A 94 12.934 -10.012 -0.265 1.00 4.52 C ATOM 1537 C ASN A 94 13.904 -10.974 -0.975 1.00 63.01 C ATOM 1538 O ASN A 94 13.517 -11.671 -1.914 1.00 60.42 O ATOM 1539 CB ASN A 94 12.425 -10.637 1.048 1.00 52.45 C ATOM 1540 CG ASN A 94 13.534 -10.919 2.047 1.00 32.44 C ATOM 1541 OD1 ASN A 94 14.546 -10.232 2.082 1.00 71.42 O ATOM 1542 ND2 ASN A 94 13.353 -11.933 2.873 1.00 52.41 N ATOM 0 H ASN A 94 11.179 -10.497 -1.315 1.00 4.02 H new ATOM 0 HA ASN A 94 13.465 -9.089 -0.031 1.00 4.52 H new ATOM 0 HB2 ASN A 94 11.697 -9.966 1.504 1.00 52.45 H new ATOM 0 HB3 ASN A 94 11.904 -11.567 0.822 1.00 52.45 H new ATOM 0 HD21 ASN A 94 14.067 -12.162 3.564 1.00 52.41 H new ATOM 0 HD22 ASN A 94 12.499 -12.488 2.820 1.00 52.41 H new ATOM 1549 N GLU A 95 15.156 -11.023 -0.528 1.00 11.33 N ATOM 1550 CA GLU A 95 16.142 -11.945 -1.111 1.00 54.41 C ATOM 1551 C GLU A 95 15.644 -13.406 -1.074 1.00 25.12 C ATOM 1552 O GLU A 95 15.922 -14.197 -1.978 1.00 51.24 O ATOM 1553 CB GLU A 95 17.489 -11.840 -0.377 1.00 75.11 C ATOM 1554 CG GLU A 95 17.425 -12.215 1.103 1.00 21.11 C ATOM 1555 CD GLU A 95 18.801 -12.396 1.721 1.00 25.32 C ATOM 1556 OE1 GLU A 95 19.403 -13.471 1.524 1.00 64.33 O ATOM 1557 OE2 GLU A 95 19.291 -11.469 2.396 1.00 14.14 O ATOM 0 H GLU A 95 15.515 -10.442 0.230 1.00 11.33 H new ATOM 0 HA GLU A 95 16.278 -11.654 -2.153 1.00 54.41 H new ATOM 0 HB2 GLU A 95 18.212 -12.487 -0.874 1.00 75.11 H new ATOM 0 HB3 GLU A 95 17.860 -10.819 -0.466 1.00 75.11 H new ATOM 0 HG2 GLU A 95 16.886 -11.440 1.647 1.00 21.11 H new ATOM 0 HG3 GLU A 95 16.856 -13.138 1.216 1.00 21.11 H new ATOM 1564 N ALA A 96 14.929 -13.761 -0.008 1.00 40.22 N ATOM 1565 CA ALA A 96 14.378 -15.115 0.153 1.00 74.02 C ATOM 1566 C ALA A 96 13.178 -15.404 -0.778 1.00 53.42 C ATOM 1567 O ALA A 96 12.793 -16.561 -0.955 1.00 64.11 O ATOM 1568 CB ALA A 96 13.999 -15.347 1.611 1.00 41.22 C ATOM 0 H ALA A 96 14.714 -13.129 0.764 1.00 40.22 H new ATOM 0 HA ALA A 96 15.160 -15.815 -0.142 1.00 74.02 H new ATOM 0 HB1 ALA A 96 13.591 -16.351 1.726 1.00 41.22 H new ATOM 0 HB2 ALA A 96 14.884 -15.241 2.238 1.00 41.22 H new ATOM 0 HB3 ALA A 96 13.250 -14.615 1.913 1.00 41.22 H new ATOM 1574 N GLY A 97 12.585 -14.362 -1.364 1.00 51.45 N ATOM 1575 CA GLY A 97 11.421 -14.550 -2.240 1.00 51.23 C ATOM 1576 C GLY A 97 10.576 -13.286 -2.407 1.00 4.42 C ATOM 1577 O GLY A 97 10.897 -12.237 -1.851 1.00 73.23 O ATOM 0 H GLY A 97 12.883 -13.393 -1.252 1.00 51.45 H new ATOM 0 HA2 GLY A 97 11.763 -14.882 -3.220 1.00 51.23 H new ATOM 0 HA3 GLY A 97 10.795 -15.345 -1.835 1.00 51.23 H new ATOM 1581 N VAL A 98 9.475 -13.390 -3.155 1.00 61.11 N ATOM 1582 CA VAL A 98 8.616 -12.226 -3.448 1.00 75.54 C ATOM 1583 C VAL A 98 7.117 -12.560 -3.294 1.00 14.54 C ATOM 1584 O VAL A 98 6.700 -13.703 -3.480 1.00 34.31 O ATOM 1585 CB VAL A 98 8.883 -11.690 -4.883 1.00 11.31 C ATOM 1586 CG1 VAL A 98 8.538 -12.745 -5.934 1.00 32.45 C ATOM 1587 CG2 VAL A 98 8.116 -10.389 -5.143 1.00 11.03 C ATOM 0 H VAL A 98 9.153 -14.264 -3.571 1.00 61.11 H new ATOM 0 HA VAL A 98 8.870 -11.456 -2.720 1.00 75.54 H new ATOM 0 HB VAL A 98 9.948 -11.470 -4.961 1.00 11.31 H new ATOM 0 HG11 VAL A 98 8.734 -12.345 -6.929 1.00 32.45 H new ATOM 0 HG12 VAL A 98 9.150 -13.633 -5.773 1.00 32.45 H new ATOM 0 HG13 VAL A 98 7.484 -13.011 -5.851 1.00 32.45 H new ATOM 0 HG21 VAL A 98 8.324 -10.040 -6.155 1.00 11.03 H new ATOM 0 HG22 VAL A 98 7.047 -10.569 -5.034 1.00 11.03 H new ATOM 0 HG23 VAL A 98 8.431 -9.631 -4.426 1.00 11.03 H new ATOM 1597 N THR A 99 6.316 -11.557 -2.931 1.00 71.42 N ATOM 1598 CA THR A 99 4.854 -11.721 -2.807 1.00 10.32 C ATOM 1599 C THR A 99 4.105 -10.463 -3.277 1.00 60.44 C ATOM 1600 O THR A 99 4.572 -9.345 -3.071 1.00 74.13 O ATOM 1601 CB THR A 99 4.426 -12.047 -1.355 1.00 44.42 C ATOM 1602 OG1 THR A 99 3.004 -12.234 -1.282 1.00 52.21 O ATOM 1603 CG2 THR A 99 4.843 -10.939 -0.395 1.00 14.23 C ATOM 0 H THR A 99 6.650 -10.617 -2.716 1.00 71.42 H new ATOM 0 HA THR A 99 4.589 -12.562 -3.448 1.00 10.32 H new ATOM 0 HB THR A 99 4.929 -12.969 -1.062 1.00 44.42 H new ATOM 0 HG1 THR A 99 2.766 -12.595 -0.402 1.00 52.21 H new ATOM 0 HG21 THR A 99 4.529 -11.197 0.616 1.00 14.23 H new ATOM 0 HG22 THR A 99 5.927 -10.825 -0.420 1.00 14.23 H new ATOM 0 HG23 THR A 99 4.372 -10.002 -0.694 1.00 14.23 H new ATOM 1611 N THR A 100 2.949 -10.647 -3.916 1.00 12.24 N ATOM 1612 CA THR A 100 2.151 -9.514 -4.420 1.00 55.22 C ATOM 1613 C THR A 100 0.674 -9.638 -4.014 1.00 32.41 C ATOM 1614 O THR A 100 0.090 -10.716 -4.094 1.00 42.42 O ATOM 1615 CB THR A 100 2.238 -9.398 -5.966 1.00 34.15 C ATOM 1616 OG1 THR A 100 3.597 -9.185 -6.376 1.00 74.00 O ATOM 1617 CG2 THR A 100 1.369 -8.258 -6.491 1.00 42.44 C ATOM 0 H THR A 100 2.540 -11.563 -4.099 1.00 12.24 H new ATOM 0 HA THR A 100 2.573 -8.616 -3.968 1.00 55.22 H new ATOM 0 HB THR A 100 1.871 -10.335 -6.384 1.00 34.15 H new ATOM 0 HG1 THR A 100 3.760 -8.224 -6.481 1.00 74.00 H new ATOM 0 HG21 THR A 100 1.454 -8.206 -7.576 1.00 42.44 H new ATOM 0 HG22 THR A 100 0.329 -8.437 -6.217 1.00 42.44 H new ATOM 0 HG23 THR A 100 1.702 -7.316 -6.055 1.00 42.44 H new ATOM 1625 N CYS A 101 0.076 -8.528 -3.583 1.00 74.11 N ATOM 1626 CA CYS A 101 -1.349 -8.497 -3.203 1.00 63.12 C ATOM 1627 C CYS A 101 -2.054 -7.265 -3.795 1.00 11.01 C ATOM 1628 O CYS A 101 -1.406 -6.374 -4.343 1.00 62.30 O ATOM 1629 CB CYS A 101 -1.494 -8.497 -1.678 1.00 3.25 C ATOM 1630 SG CYS A 101 -3.204 -8.501 -1.092 1.00 23.14 S ATOM 0 H CYS A 101 0.553 -7.631 -3.486 1.00 74.11 H new ATOM 0 HA CYS A 101 -1.823 -9.391 -3.608 1.00 63.12 H new ATOM 0 HB2 CYS A 101 -0.983 -9.372 -1.276 1.00 3.25 H new ATOM 0 HB3 CYS A 101 -0.987 -7.619 -1.277 1.00 3.25 H new ATOM 0 HG CYS A 101 -3.217 -8.503 0.208 1.00 23.14 H new ATOM 1636 N ASN A 102 -3.384 -7.205 -3.670 1.00 74.22 N ATOM 1637 CA ASN A 102 -4.171 -6.111 -4.263 1.00 70.31 C ATOM 1638 C ASN A 102 -5.110 -5.444 -3.240 1.00 51.45 C ATOM 1639 O ASN A 102 -5.571 -6.073 -2.284 1.00 11.24 O ATOM 1640 CB ASN A 102 -4.987 -6.630 -5.455 1.00 54.02 C ATOM 1641 CG ASN A 102 -4.107 -7.155 -6.576 1.00 12.40 C ATOM 1642 OD1 ASN A 102 -3.754 -8.329 -6.610 1.00 41.44 O ATOM 1643 ND2 ASN A 102 -3.745 -6.293 -7.506 1.00 62.23 N ATOM 0 H ASN A 102 -3.939 -7.897 -3.166 1.00 74.22 H new ATOM 0 HA ASN A 102 -3.463 -5.355 -4.602 1.00 70.31 H new ATOM 0 HB2 ASN A 102 -5.653 -7.424 -5.117 1.00 54.02 H new ATOM 0 HB3 ASN A 102 -5.617 -5.827 -5.837 1.00 54.02 H new ATOM 0 HD21 ASN A 102 -3.155 -6.597 -8.281 1.00 62.23 H new ATOM 0 HD22 ASN A 102 -4.055 -5.323 -7.450 1.00 62.23 H new ATOM 1650 N THR A 103 -5.382 -4.158 -3.455 1.00 14.42 N ATOM 1651 CA THR A 103 -6.271 -3.374 -2.588 1.00 72.25 C ATOM 1652 C THR A 103 -7.091 -2.378 -3.421 1.00 52.43 C ATOM 1653 O THR A 103 -6.621 -1.890 -4.441 1.00 13.34 O ATOM 1654 CB THR A 103 -5.469 -2.594 -1.520 1.00 64.15 C ATOM 1655 OG1 THR A 103 -4.628 -3.496 -0.791 1.00 34.21 O ATOM 1656 CG2 THR A 103 -6.397 -1.867 -0.549 1.00 5.24 C ATOM 0 H THR A 103 -4.994 -3.627 -4.234 1.00 14.42 H new ATOM 0 HA THR A 103 -6.939 -4.075 -2.087 1.00 72.25 H new ATOM 0 HB THR A 103 -4.860 -1.850 -2.033 1.00 64.15 H new ATOM 0 HG1 THR A 103 -3.691 -3.332 -1.026 1.00 34.21 H new ATOM 0 HG21 THR A 103 -5.802 -1.329 0.189 1.00 5.24 H new ATOM 0 HG22 THR A 103 -7.018 -1.161 -1.099 1.00 5.24 H new ATOM 0 HG23 THR A 103 -7.034 -2.592 -0.042 1.00 5.24 H new ATOM 1664 N ARG A 104 -8.316 -2.078 -2.998 1.00 20.23 N ATOM 1665 CA ARG A 104 -9.173 -1.138 -3.739 1.00 54.14 C ATOM 1666 C ARG A 104 -9.391 0.180 -2.971 1.00 53.34 C ATOM 1667 O ARG A 104 -9.515 0.187 -1.746 1.00 24.32 O ATOM 1668 CB ARG A 104 -10.526 -1.794 -4.051 1.00 20.41 C ATOM 1669 CG ARG A 104 -11.522 -0.855 -4.727 1.00 71.12 C ATOM 1670 CD ARG A 104 -12.842 -1.545 -5.048 1.00 55.24 C ATOM 1671 NE ARG A 104 -13.810 -0.606 -5.602 1.00 42.41 N ATOM 1672 CZ ARG A 104 -14.734 -0.914 -6.466 1.00 3.43 C ATOM 1673 NH1 ARG A 104 -14.899 -2.134 -6.866 1.00 54.31 N ATOM 1674 NH2 ARG A 104 -15.509 0.013 -6.918 1.00 70.04 N ATOM 0 H ARG A 104 -8.741 -2.464 -2.155 1.00 20.23 H new ATOM 0 HA ARG A 104 -8.660 -0.893 -4.669 1.00 54.14 H new ATOM 0 HB2 ARG A 104 -10.361 -2.658 -4.694 1.00 20.41 H new ATOM 0 HB3 ARG A 104 -10.962 -2.165 -3.124 1.00 20.41 H new ATOM 0 HG2 ARG A 104 -11.710 -0.000 -4.077 1.00 71.12 H new ATOM 0 HG3 ARG A 104 -11.085 -0.466 -5.647 1.00 71.12 H new ATOM 0 HD2 ARG A 104 -12.669 -2.353 -5.758 1.00 55.24 H new ATOM 0 HD3 ARG A 104 -13.248 -1.997 -4.143 1.00 55.24 H new ATOM 0 HE ARG A 104 -13.760 0.364 -5.290 1.00 42.41 H new ATOM 0 HH11 ARG A 104 -14.299 -2.875 -6.504 1.00 54.31 H new ATOM 0 HH12 ARG A 104 -15.629 -2.354 -7.544 1.00 54.31 H new ATOM 0 HH21 ARG A 104 -15.394 0.975 -6.598 1.00 70.04 H new ATOM 0 HH22 ARG A 104 -16.237 -0.216 -7.595 1.00 70.04 H new ATOM 1688 N LEU A 105 -9.426 1.295 -3.703 1.00 4.33 N ATOM 1689 CA LEU A 105 -9.735 2.609 -3.117 1.00 65.31 C ATOM 1690 C LEU A 105 -10.737 3.383 -3.992 1.00 62.23 C ATOM 1691 O LEU A 105 -10.488 3.612 -5.178 1.00 24.34 O ATOM 1692 CB LEU A 105 -8.454 3.435 -2.939 1.00 12.14 C ATOM 1693 CG LEU A 105 -8.658 4.844 -2.351 1.00 71.10 C ATOM 1694 CD1 LEU A 105 -9.284 4.767 -0.959 1.00 75.54 C ATOM 1695 CD2 LEU A 105 -7.335 5.610 -2.310 1.00 10.15 C ATOM 0 H LEU A 105 -9.244 1.318 -4.706 1.00 4.33 H new ATOM 0 HA LEU A 105 -10.187 2.439 -2.140 1.00 65.31 H new ATOM 0 HB2 LEU A 105 -7.772 2.884 -2.291 1.00 12.14 H new ATOM 0 HB3 LEU A 105 -7.965 3.531 -3.908 1.00 12.14 H new ATOM 0 HG LEU A 105 -9.345 5.386 -3.001 1.00 71.10 H new ATOM 0 HD11 LEU A 105 -9.418 5.774 -0.564 1.00 75.54 H new ATOM 0 HD12 LEU A 105 -10.252 4.270 -1.022 1.00 75.54 H new ATOM 0 HD13 LEU A 105 -8.629 4.202 -0.296 1.00 75.54 H new ATOM 0 HD21 LEU A 105 -7.502 6.602 -1.891 1.00 10.15 H new ATOM 0 HD22 LEU A 105 -6.621 5.070 -1.689 1.00 10.15 H new ATOM 0 HD23 LEU A 105 -6.938 5.705 -3.321 1.00 10.15 H new ATOM 1707 N ASP A 106 -11.863 3.786 -3.404 1.00 70.30 N ATOM 1708 CA ASP A 106 -12.889 4.544 -4.131 1.00 20.50 C ATOM 1709 C ASP A 106 -12.955 6.003 -3.651 1.00 25.24 C ATOM 1710 O ASP A 106 -12.833 6.287 -2.456 1.00 43.14 O ATOM 1711 CB ASP A 106 -14.260 3.882 -3.959 1.00 73.34 C ATOM 1712 CG ASP A 106 -14.297 2.468 -4.510 1.00 3.40 C ATOM 1713 OD1 ASP A 106 -14.452 2.303 -5.742 1.00 31.31 O ATOM 1714 OD2 ASP A 106 -14.179 1.509 -3.717 1.00 22.40 O ATOM 0 H ASP A 106 -12.091 3.602 -2.427 1.00 70.30 H new ATOM 0 HA ASP A 106 -12.615 4.543 -5.186 1.00 20.50 H new ATOM 0 HB2 ASP A 106 -14.520 3.863 -2.901 1.00 73.34 H new ATOM 0 HB3 ASP A 106 -15.016 4.484 -4.462 1.00 73.34 H new ATOM 1719 N VAL A 107 -13.155 6.924 -4.591 1.00 11.01 N ATOM 1720 CA VAL A 107 -13.280 8.353 -4.272 1.00 74.45 C ATOM 1721 C VAL A 107 -14.528 8.953 -4.938 1.00 24.40 C ATOM 1722 O VAL A 107 -14.885 8.587 -6.058 1.00 13.35 O ATOM 1723 CB VAL A 107 -12.024 9.151 -4.716 1.00 21.53 C ATOM 1724 CG1 VAL A 107 -12.165 10.631 -4.357 1.00 13.32 C ATOM 1725 CG2 VAL A 107 -10.760 8.562 -4.093 1.00 30.31 C ATOM 0 H VAL A 107 -13.235 6.710 -5.585 1.00 11.01 H new ATOM 0 HA VAL A 107 -13.374 8.432 -3.189 1.00 74.45 H new ATOM 0 HB VAL A 107 -11.938 9.071 -5.800 1.00 21.53 H new ATOM 0 HG11 VAL A 107 -11.273 11.170 -4.678 1.00 13.32 H new ATOM 0 HG12 VAL A 107 -13.039 11.045 -4.859 1.00 13.32 H new ATOM 0 HG13 VAL A 107 -12.283 10.734 -3.278 1.00 13.32 H new ATOM 0 HG21 VAL A 107 -9.893 9.137 -4.418 1.00 30.31 H new ATOM 0 HG22 VAL A 107 -10.837 8.603 -3.006 1.00 30.31 H new ATOM 0 HG23 VAL A 107 -10.648 7.525 -4.410 1.00 30.31 H new ATOM 1735 N THR A 108 -15.185 9.879 -4.249 1.00 13.35 N ATOM 1736 CA THR A 108 -16.429 10.489 -4.740 1.00 24.43 C ATOM 1737 C THR A 108 -16.339 12.024 -4.752 1.00 21.12 C ATOM 1738 O THR A 108 -15.704 12.623 -3.888 1.00 53.41 O ATOM 1739 CB THR A 108 -17.629 10.044 -3.869 1.00 45.44 C ATOM 1740 OG1 THR A 108 -17.789 8.616 -3.943 1.00 73.43 O ATOM 1741 CG2 THR A 108 -18.929 10.722 -4.295 1.00 22.14 C ATOM 0 H THR A 108 -14.879 10.230 -3.341 1.00 13.35 H new ATOM 0 HA THR A 108 -16.578 10.148 -5.764 1.00 24.43 H new ATOM 0 HB THR A 108 -17.414 10.344 -2.843 1.00 45.44 H new ATOM 0 HG1 THR A 108 -18.549 8.343 -3.388 1.00 73.43 H new ATOM 0 HG21 THR A 108 -19.744 10.380 -3.657 1.00 22.14 H new ATOM 0 HG22 THR A 108 -18.823 11.803 -4.201 1.00 22.14 H new ATOM 0 HG23 THR A 108 -19.149 10.468 -5.332 1.00 22.14 H new ATOM 1749 N ALA A 109 -16.985 12.654 -5.735 1.00 2.14 N ATOM 1750 CA ALA A 109 -16.940 14.113 -5.883 1.00 24.20 C ATOM 1751 C ALA A 109 -17.841 14.817 -4.856 1.00 34.21 C ATOM 1752 O ALA A 109 -18.990 14.423 -4.651 1.00 64.33 O ATOM 1753 CB ALA A 109 -17.348 14.501 -7.299 1.00 43.44 C ATOM 0 H ALA A 109 -17.546 12.178 -6.441 1.00 2.14 H new ATOM 0 HA ALA A 109 -15.917 14.439 -5.698 1.00 24.20 H new ATOM 0 HB1 ALA A 109 -17.313 15.585 -7.404 1.00 43.44 H new ATOM 0 HB2 ALA A 109 -16.662 14.045 -8.013 1.00 43.44 H new ATOM 0 HB3 ALA A 109 -18.361 14.150 -7.495 1.00 43.44 H new