USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=24 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 89 THR OG1 : rot -62:sc= 0.28 USER MOD Set 1.2: A 102 ASN : amide:sc= 0.266 K(o=0.55,f=0) USER MOD Set 2.1: A 91 SER OG : rot 180:sc= 0.0313 USER MOD Set 2.2: A 100 THR OG1 : rot -93:sc= 0.0329 USER MOD Set 3.1: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 74 THR OG1 : rot -111:sc= 0.292 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 163:sc= 0 (180deg=-0.367) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 41:sc= 0.26 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -113:sc= -0.326 (180deg=-3.6!) USER MOD Single : A 37 CYS SG : rot 140:sc= -0.652 USER MOD Single : A 38 GLN : amide:sc= -1.98 K(o=-2,f=-6.7!) 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 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0899 K(o=-0.09,f=-2.2!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 55 MET CE :methyl 174:sc= -1.07 (180deg=-1.1) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 ASN : amide:sc= -0.617 K(o=-0.62,f=-7.3!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.631 USER MOD Single : A 64 SER OG : rot 180:sc=-0.00299 USER MOD Single : A 67 GLN : amide:sc= 0.0547 X(o=0.055,f=-0.21) USER MOD Single : A 69 ASN : amide:sc= -0.805 K(o=-0.81,f=-0.0027) USER MOD Single : A 70 THR OG1 : rot -30:sc= 0.644 USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.05) USER MOD Single : A 81 ASN : amide:sc= -2.4! K(o=-2.4!,f=-0.15) USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= -0.117 (180deg=-0.593) USER MOD Single : A 83 LYS NZ :NH3+ 164:sc= -0.0934 (180deg=-0.386) USER MOD Single : A 88 TYR OH : rot -30:sc= -0.301 USER MOD Single : A 94 ASN : amide:sc= -4.95! C(o=-5!,f=-15!) USER MOD Single : A 99 THR OG1 : rot -106:sc= 0.974 USER MOD Single : A 101 CYS SG : rot 160:sc= -0.484! USER MOD Single : A 103 THR OG1 : rot 120:sc= -2.93! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 13 16.794 -16.437 7.034 1.00 32.02 N ATOM 198 CA LYS A 13 16.019 -15.904 5.903 1.00 30.54 C ATOM 199 C LYS A 13 14.573 -16.432 5.933 1.00 32.12 C ATOM 200 O LYS A 13 14.339 -17.623 6.148 1.00 74.10 O ATOM 201 CB LYS A 13 16.686 -16.257 4.563 1.00 32.04 C ATOM 202 CG LYS A 13 18.046 -15.592 4.358 1.00 2.11 C ATOM 203 CD LYS A 13 18.565 -15.769 2.931 1.00 23.33 C ATOM 204 CE LYS A 13 18.822 -17.229 2.575 1.00 21.01 C ATOM 205 NZ LYS A 13 19.428 -17.362 1.224 1.00 2.02 N ATOM 0 HA LYS A 13 15.994 -14.819 5.999 1.00 30.54 H new ATOM 0 HB2 LYS A 13 16.808 -17.338 4.502 1.00 32.04 H new ATOM 0 HB3 LYS A 13 16.022 -15.965 3.749 1.00 32.04 H new ATOM 0 HG2 LYS A 13 17.967 -14.529 4.585 1.00 2.11 H new ATOM 0 HG3 LYS A 13 18.765 -16.015 5.060 1.00 2.11 H new ATOM 0 HD2 LYS A 13 17.842 -15.351 2.231 1.00 23.33 H new ATOM 0 HD3 LYS A 13 19.488 -15.202 2.812 1.00 23.33 H new ATOM 0 HE2 LYS A 13 19.484 -17.674 3.317 1.00 21.01 H new ATOM 0 HE3 LYS A 13 17.884 -17.784 2.611 1.00 21.01 H new ATOM 0 HZ1 LYS A 13 19.590 -18.368 1.014 1.00 2.02 H new ATOM 0 HZ2 LYS A 13 18.784 -16.959 0.514 1.00 2.02 H new ATOM 0 HZ3 LYS A 13 20.335 -16.853 1.198 1.00 2.02 H new ATOM 219 N ARG A 14 13.609 -15.537 5.733 1.00 31.12 N ATOM 220 CA ARG A 14 12.187 -15.905 5.699 1.00 34.52 C ATOM 221 C ARG A 14 11.446 -15.180 4.560 1.00 53.55 C ATOM 222 O ARG A 14 11.559 -13.961 4.411 1.00 54.21 O ATOM 223 CB ARG A 14 11.522 -15.578 7.045 1.00 11.34 C ATOM 224 CG ARG A 14 10.040 -15.952 7.117 1.00 45.34 C ATOM 225 CD ARG A 14 9.824 -17.465 7.041 1.00 32.20 C ATOM 226 NE ARG A 14 8.405 -17.811 6.980 1.00 33.32 N ATOM 227 CZ ARG A 14 7.874 -18.873 7.525 1.00 31.45 C ATOM 228 NH1 ARG A 14 8.602 -19.742 8.154 1.00 63.03 N ATOM 229 NH2 ARG A 14 6.606 -19.076 7.418 1.00 15.45 N ATOM 0 H ARG A 14 13.784 -14.542 5.590 1.00 31.12 H new ATOM 0 HA ARG A 14 12.125 -16.978 5.516 1.00 34.52 H new ATOM 0 HB2 ARG A 14 12.056 -16.100 7.838 1.00 11.34 H new ATOM 0 HB3 ARG A 14 11.626 -14.511 7.240 1.00 11.34 H new ATOM 0 HG2 ARG A 14 9.615 -15.572 8.046 1.00 45.34 H new ATOM 0 HG3 ARG A 14 9.504 -15.468 6.300 1.00 45.34 H new ATOM 0 HD2 ARG A 14 10.332 -17.860 6.162 1.00 32.20 H new ATOM 0 HD3 ARG A 14 10.276 -17.940 7.911 1.00 32.20 H new ATOM 0 HE ARG A 14 7.785 -17.178 6.476 1.00 33.32 H new ATOM 0 HH11 ARG A 14 9.610 -19.603 8.231 1.00 63.03 H new ATOM 0 HH12 ARG A 14 8.167 -20.564 8.572 1.00 63.03 H new ATOM 0 HH21 ARG A 14 6.024 -18.410 6.910 1.00 15.45 H new ATOM 0 HH22 ARG A 14 6.184 -19.903 7.841 1.00 15.45 H new ATOM 243 N ALA A 15 10.686 -15.938 3.774 1.00 52.14 N ATOM 244 CA ALA A 15 9.897 -15.380 2.673 1.00 25.44 C ATOM 245 C ALA A 15 8.716 -14.533 3.189 1.00 73.32 C ATOM 246 O ALA A 15 8.123 -14.847 4.222 1.00 65.13 O ATOM 247 CB ALA A 15 9.392 -16.509 1.776 1.00 45.11 C ATOM 0 H ALA A 15 10.598 -16.949 3.879 1.00 52.14 H new ATOM 0 HA ALA A 15 10.543 -14.719 2.095 1.00 25.44 H new ATOM 0 HB1 ALA A 15 8.806 -16.090 0.958 1.00 45.11 H new ATOM 0 HB2 ALA A 15 10.241 -17.058 1.369 1.00 45.11 H new ATOM 0 HB3 ALA A 15 8.768 -17.186 2.360 1.00 45.11 H new ATOM 253 N PRO A 16 8.355 -13.449 2.467 1.00 42.15 N ATOM 254 CA PRO A 16 7.265 -12.541 2.878 1.00 64.20 C ATOM 255 C PRO A 16 5.867 -13.185 2.805 1.00 34.33 C ATOM 256 O PRO A 16 5.487 -13.768 1.788 1.00 53.52 O ATOM 257 CB PRO A 16 7.381 -11.379 1.880 1.00 70.31 C ATOM 258 CG PRO A 16 8.027 -11.978 0.678 1.00 40.32 C ATOM 259 CD PRO A 16 8.979 -13.021 1.201 1.00 41.23 C ATOM 0 HA PRO A 16 7.365 -12.245 3.922 1.00 64.20 H new ATOM 0 HB2 PRO A 16 6.402 -10.965 1.639 1.00 70.31 H new ATOM 0 HB3 PRO A 16 7.980 -10.565 2.288 1.00 70.31 H new ATOM 0 HG2 PRO A 16 7.284 -12.423 0.016 1.00 40.32 H new ATOM 0 HG3 PRO A 16 8.556 -11.220 0.100 1.00 40.32 H new ATOM 0 HD2 PRO A 16 9.086 -13.853 0.505 1.00 41.23 H new ATOM 0 HD3 PRO A 16 9.976 -12.610 1.363 1.00 41.23 H new ATOM 267 N MET A 17 5.108 -13.060 3.891 1.00 13.02 N ATOM 268 CA MET A 17 3.755 -13.625 3.974 1.00 33.14 C ATOM 269 C MET A 17 2.707 -12.555 4.327 1.00 14.22 C ATOM 270 O MET A 17 2.847 -11.843 5.324 1.00 40.25 O ATOM 271 CB MET A 17 3.728 -14.744 5.025 1.00 3.21 C ATOM 272 CG MET A 17 2.329 -15.236 5.379 1.00 33.34 C ATOM 273 SD MET A 17 1.413 -15.839 3.947 1.00 72.51 S ATOM 274 CE MET A 17 -0.156 -16.255 4.711 1.00 55.34 C ATOM 0 H MET A 17 5.406 -12.569 4.734 1.00 13.02 H new ATOM 0 HA MET A 17 3.500 -14.027 2.993 1.00 33.14 H new ATOM 0 HB2 MET A 17 4.315 -15.586 4.658 1.00 3.21 H new ATOM 0 HB3 MET A 17 4.216 -14.387 5.932 1.00 3.21 H new ATOM 0 HG2 MET A 17 2.406 -16.034 6.117 1.00 33.34 H new ATOM 0 HG3 MET A 17 1.771 -14.424 5.845 1.00 33.34 H new ATOM 0 HE1 MET A 17 -0.921 -16.353 3.941 1.00 55.34 H new ATOM 0 HE2 MET A 17 -0.060 -17.198 5.249 1.00 55.34 H new ATOM 0 HE3 MET A 17 -0.441 -15.467 5.408 1.00 55.34 H new ATOM 284 N PHE A 18 1.656 -12.451 3.508 1.00 15.45 N ATOM 285 CA PHE A 18 0.522 -11.570 3.815 1.00 35.53 C ATOM 286 C PHE A 18 -0.388 -12.200 4.881 1.00 51.34 C ATOM 287 O PHE A 18 -1.147 -13.131 4.600 1.00 53.51 O ATOM 288 CB PHE A 18 -0.307 -11.271 2.552 1.00 63.31 C ATOM 289 CG PHE A 18 0.289 -10.223 1.644 1.00 23.43 C ATOM 290 CD1 PHE A 18 0.096 -8.873 1.905 1.00 24.33 C ATOM 291 CD2 PHE A 18 1.022 -10.584 0.523 1.00 41.11 C ATOM 292 CE1 PHE A 18 0.622 -7.907 1.068 1.00 4.22 C ATOM 293 CE2 PHE A 18 1.554 -9.620 -0.314 1.00 31.42 C ATOM 294 CZ PHE A 18 1.353 -8.280 -0.043 1.00 63.05 C ATOM 0 H PHE A 18 1.566 -12.963 2.631 1.00 15.45 H new ATOM 0 HA PHE A 18 0.932 -10.636 4.199 1.00 35.53 H new ATOM 0 HB2 PHE A 18 -0.431 -12.195 1.987 1.00 63.31 H new ATOM 0 HB3 PHE A 18 -1.303 -10.947 2.855 1.00 63.31 H new ATOM 0 HD1 PHE A 18 -0.472 -8.574 2.773 1.00 24.33 H new ATOM 0 HD2 PHE A 18 1.179 -11.629 0.301 1.00 41.11 H new ATOM 0 HE1 PHE A 18 0.461 -6.861 1.283 1.00 4.22 H new ATOM 0 HE2 PHE A 18 2.127 -9.915 -1.180 1.00 31.42 H new ATOM 0 HZ PHE A 18 1.766 -7.527 -0.698 1.00 63.05 H new ATOM 304 N ILE A 19 -0.303 -11.693 6.105 1.00 2.51 N ATOM 305 CA ILE A 19 -1.201 -12.121 7.182 1.00 11.23 C ATOM 306 C ILE A 19 -2.562 -11.424 7.034 1.00 44.34 C ATOM 307 O ILE A 19 -3.613 -11.976 7.368 1.00 55.24 O ATOM 308 CB ILE A 19 -0.596 -11.794 8.571 1.00 34.50 C ATOM 309 CG1 ILE A 19 0.843 -12.338 8.663 1.00 3.24 C ATOM 310 CG2 ILE A 19 -1.466 -12.370 9.689 1.00 24.44 C ATOM 311 CD1 ILE A 19 1.551 -11.995 9.959 1.00 25.31 C ATOM 0 H ILE A 19 0.377 -10.985 6.381 1.00 2.51 H new ATOM 0 HA ILE A 19 -1.333 -13.200 7.108 1.00 11.23 H new ATOM 0 HB ILE A 19 -0.567 -10.711 8.692 1.00 34.50 H new ATOM 0 HG12 ILE A 19 0.818 -13.422 8.550 1.00 3.24 H new ATOM 0 HG13 ILE A 19 1.423 -11.944 7.829 1.00 3.24 H new ATOM 0 HG21 ILE A 19 -1.023 -12.129 10.655 1.00 24.44 H new ATOM 0 HG22 ILE A 19 -2.466 -11.940 9.630 1.00 24.44 H new ATOM 0 HG23 ILE A 19 -1.530 -13.453 9.579 1.00 24.44 H new ATOM 0 HD11 ILE A 19 2.557 -12.413 9.946 1.00 25.31 H new ATOM 0 HD12 ILE A 19 1.610 -10.912 10.066 1.00 25.31 H new ATOM 0 HD13 ILE A 19 0.996 -12.413 10.799 1.00 25.31 H new ATOM 323 N TYR A 20 -2.515 -10.198 6.520 1.00 61.43 N ATOM 324 CA TYR A 20 -3.714 -9.413 6.205 1.00 25.30 C ATOM 325 C TYR A 20 -3.549 -8.743 4.836 1.00 73.33 C ATOM 326 O TYR A 20 -2.436 -8.380 4.455 1.00 73.51 O ATOM 327 CB TYR A 20 -3.955 -8.316 7.257 1.00 55.23 C ATOM 328 CG TYR A 20 -4.123 -8.815 8.680 1.00 5.40 C ATOM 329 CD1 TYR A 20 -5.370 -9.193 9.169 1.00 12.04 C ATOM 330 CD2 TYR A 20 -3.034 -8.882 9.541 1.00 14.44 C ATOM 331 CE1 TYR A 20 -5.522 -9.620 10.475 1.00 54.40 C ATOM 332 CE2 TYR A 20 -3.179 -9.312 10.845 1.00 52.12 C ATOM 333 CZ TYR A 20 -4.423 -9.678 11.307 1.00 41.52 C ATOM 334 OH TYR A 20 -4.568 -10.095 12.610 1.00 11.25 O ATOM 0 H TYR A 20 -1.642 -9.715 6.308 1.00 61.43 H new ATOM 0 HA TYR A 20 -4.565 -10.094 6.199 1.00 25.30 H new ATOM 0 HB2 TYR A 20 -3.118 -7.618 7.230 1.00 55.23 H new ATOM 0 HB3 TYR A 20 -4.847 -7.756 6.977 1.00 55.23 H new ATOM 0 HD1 TYR A 20 -6.231 -9.152 8.519 1.00 12.04 H new ATOM 0 HD2 TYR A 20 -2.057 -8.593 9.184 1.00 14.44 H new ATOM 0 HE1 TYR A 20 -6.496 -9.907 10.842 1.00 54.40 H new ATOM 0 HE2 TYR A 20 -2.321 -9.361 11.499 1.00 52.12 H new ATOM 0 HH TYR A 20 -3.696 -10.078 13.058 1.00 11.25 H new ATOM 344 N LYS A 21 -4.637 -8.591 4.094 1.00 60.50 N ATOM 345 CA LYS A 21 -4.616 -7.803 2.858 1.00 15.41 C ATOM 346 C LYS A 21 -5.173 -6.393 3.117 1.00 11.23 C ATOM 347 O LYS A 21 -6.145 -6.236 3.862 1.00 3.33 O ATOM 348 CB LYS A 21 -5.438 -8.490 1.756 1.00 20.02 C ATOM 349 CG LYS A 21 -6.933 -8.562 2.061 1.00 24.00 C ATOM 350 CD LYS A 21 -7.732 -9.114 0.884 1.00 74.21 C ATOM 351 CE LYS A 21 -9.228 -9.105 1.174 1.00 73.55 C ATOM 352 NZ LYS A 21 -10.016 -9.656 0.044 1.00 24.42 N ATOM 0 H LYS A 21 -5.544 -8.999 4.320 1.00 60.50 H new ATOM 0 HA LYS A 21 -3.581 -7.726 2.524 1.00 15.41 H new ATOM 0 HB2 LYS A 21 -5.293 -7.953 0.818 1.00 20.02 H new ATOM 0 HB3 LYS A 21 -5.057 -9.500 1.607 1.00 20.02 H new ATOM 0 HG2 LYS A 21 -7.094 -9.192 2.936 1.00 24.00 H new ATOM 0 HG3 LYS A 21 -7.300 -7.567 2.313 1.00 24.00 H new ATOM 0 HD2 LYS A 21 -7.529 -8.519 -0.006 1.00 74.21 H new ATOM 0 HD3 LYS A 21 -7.408 -10.132 0.668 1.00 74.21 H new ATOM 0 HE2 LYS A 21 -9.427 -9.688 2.073 1.00 73.55 H new ATOM 0 HE3 LYS A 21 -9.552 -8.084 1.378 1.00 73.55 H new ATOM 0 HZ1 LYS A 21 -11.028 -9.632 0.282 1.00 24.42 H new ATOM 0 HZ2 LYS A 21 -9.847 -9.084 -0.808 1.00 24.42 H new ATOM 0 HZ3 LYS A 21 -9.726 -10.639 -0.135 1.00 24.42 H new ATOM 366 N PRO A 22 -4.564 -5.343 2.537 1.00 64.44 N ATOM 367 CA PRO A 22 -5.128 -3.990 2.621 1.00 64.32 C ATOM 368 C PRO A 22 -6.541 -3.933 2.004 1.00 3.14 C ATOM 369 O PRO A 22 -6.734 -4.253 0.828 1.00 12.22 O ATOM 370 CB PRO A 22 -4.132 -3.117 1.833 1.00 50.43 C ATOM 371 CG PRO A 22 -3.286 -4.073 1.046 1.00 21.51 C ATOM 372 CD PRO A 22 -3.298 -5.384 1.787 1.00 74.32 C ATOM 0 HA PRO A 22 -5.250 -3.652 3.650 1.00 64.32 H new ATOM 0 HB2 PRO A 22 -4.655 -2.424 1.174 1.00 50.43 H new ATOM 0 HB3 PRO A 22 -3.520 -2.516 2.506 1.00 50.43 H new ATOM 0 HG2 PRO A 22 -3.680 -4.196 0.037 1.00 21.51 H new ATOM 0 HG3 PRO A 22 -2.268 -3.696 0.946 1.00 21.51 H new ATOM 0 HD2 PRO A 22 -3.264 -6.232 1.103 1.00 74.32 H new ATOM 0 HD3 PRO A 22 -2.440 -5.477 2.453 1.00 74.32 H new ATOM 380 N GLN A 23 -7.524 -3.518 2.803 1.00 35.13 N ATOM 381 CA GLN A 23 -8.935 -3.605 2.408 1.00 34.23 C ATOM 382 C GLN A 23 -9.439 -2.327 1.722 1.00 70.31 C ATOM 383 O GLN A 23 -9.028 -1.214 2.053 1.00 12.34 O ATOM 384 CB GLN A 23 -9.805 -3.940 3.626 1.00 33.45 C ATOM 385 CG GLN A 23 -9.698 -2.936 4.768 1.00 73.22 C ATOM 386 CD GLN A 23 -10.577 -3.310 5.951 1.00 65.20 C ATOM 387 OE1 GLN A 23 -11.736 -2.915 6.027 1.00 63.34 O ATOM 388 NE2 GLN A 23 -10.038 -4.076 6.881 1.00 60.42 N ATOM 0 H GLN A 23 -7.372 -3.118 3.729 1.00 35.13 H new ATOM 0 HA GLN A 23 -9.013 -4.407 1.674 1.00 34.23 H new ATOM 0 HB2 GLN A 23 -10.846 -4.002 3.308 1.00 33.45 H new ATOM 0 HB3 GLN A 23 -9.526 -4.926 3.997 1.00 33.45 H new ATOM 0 HG2 GLN A 23 -8.660 -2.871 5.096 1.00 73.22 H new ATOM 0 HG3 GLN A 23 -9.981 -1.947 4.407 1.00 73.22 H new ATOM 0 HE21 GLN A 23 -9.071 -4.388 6.788 1.00 60.42 H new ATOM 0 HE22 GLN A 23 -10.588 -4.356 7.693 1.00 60.42 H new ATOM 397 N SER A 24 -10.338 -2.513 0.759 1.00 55.13 N ATOM 398 CA SER A 24 -10.888 -1.411 -0.039 1.00 74.23 C ATOM 399 C SER A 24 -11.733 -0.444 0.801 1.00 61.03 C ATOM 400 O SER A 24 -12.767 -0.822 1.358 1.00 24.22 O ATOM 401 CB SER A 24 -11.740 -1.967 -1.190 1.00 70.33 C ATOM 402 OG SER A 24 -12.750 -2.852 -0.715 1.00 41.12 O ATOM 0 H SER A 24 -10.708 -3.429 0.507 1.00 55.13 H new ATOM 0 HA SER A 24 -10.041 -0.851 -0.435 1.00 74.23 H new ATOM 0 HB2 SER A 24 -12.203 -1.142 -1.732 1.00 70.33 H new ATOM 0 HB3 SER A 24 -11.098 -2.492 -1.897 1.00 70.33 H new ATOM 0 HG SER A 24 -13.148 -2.486 0.102 1.00 41.12 H new ATOM 408 N LYS A 25 -11.293 0.811 0.870 1.00 44.33 N ATOM 409 CA LYS A 25 -12.012 1.860 1.602 1.00 24.40 C ATOM 410 C LYS A 25 -12.479 2.971 0.645 1.00 64.53 C ATOM 411 O LYS A 25 -11.923 3.147 -0.441 1.00 71.43 O ATOM 412 CB LYS A 25 -11.111 2.458 2.698 1.00 42.11 C ATOM 413 CG LYS A 25 -10.623 1.439 3.731 1.00 21.51 C ATOM 414 CD LYS A 25 -11.773 0.850 4.551 1.00 72.23 C ATOM 415 CE LYS A 25 -12.471 1.908 5.401 1.00 2.12 C ATOM 416 NZ LYS A 25 -13.592 1.337 6.193 1.00 52.12 N ATOM 0 H LYS A 25 -10.433 1.131 0.424 1.00 44.33 H new ATOM 0 HA LYS A 25 -12.889 1.410 2.067 1.00 24.40 H new ATOM 0 HB2 LYS A 25 -10.246 2.925 2.227 1.00 42.11 H new ATOM 0 HB3 LYS A 25 -11.659 3.247 3.213 1.00 42.11 H new ATOM 0 HG2 LYS A 25 -10.093 0.634 3.222 1.00 21.51 H new ATOM 0 HG3 LYS A 25 -9.909 1.917 4.401 1.00 21.51 H new ATOM 0 HD2 LYS A 25 -12.497 0.389 3.880 1.00 72.23 H new ATOM 0 HD3 LYS A 25 -11.390 0.061 5.198 1.00 72.23 H new ATOM 0 HE2 LYS A 25 -11.747 2.366 6.075 1.00 2.12 H new ATOM 0 HE3 LYS A 25 -12.850 2.700 4.755 1.00 2.12 H new ATOM 0 HZ1 LYS A 25 -14.038 2.089 6.756 1.00 52.12 H new ATOM 0 HZ2 LYS A 25 -14.296 0.922 5.549 1.00 52.12 H new ATOM 0 HZ3 LYS A 25 -13.227 0.599 6.829 1.00 52.12 H new ATOM 430 N LYS A 26 -13.503 3.719 1.055 1.00 70.51 N ATOM 431 CA LYS A 26 -14.039 4.820 0.242 1.00 61.21 C ATOM 432 C LYS A 26 -14.080 6.143 1.030 1.00 13.14 C ATOM 433 O LYS A 26 -14.568 6.197 2.163 1.00 24.01 O ATOM 434 CB LYS A 26 -15.442 4.458 -0.275 1.00 14.04 C ATOM 435 CG LYS A 26 -16.459 4.161 0.825 1.00 14.12 C ATOM 436 CD LYS A 26 -17.779 3.645 0.257 1.00 13.54 C ATOM 437 CE LYS A 26 -17.593 2.329 -0.493 1.00 43.32 C ATOM 438 NZ LYS A 26 -18.877 1.802 -1.024 1.00 14.40 N ATOM 0 H LYS A 26 -13.981 3.585 1.946 1.00 70.51 H new ATOM 0 HA LYS A 26 -13.371 4.966 -0.607 1.00 61.21 H new ATOM 0 HB2 LYS A 26 -15.815 5.280 -0.886 1.00 14.04 H new ATOM 0 HB3 LYS A 26 -15.363 3.587 -0.926 1.00 14.04 H new ATOM 0 HG2 LYS A 26 -16.046 3.422 1.511 1.00 14.12 H new ATOM 0 HG3 LYS A 26 -16.642 5.066 1.404 1.00 14.12 H new ATOM 0 HD2 LYS A 26 -18.494 3.504 1.068 1.00 13.54 H new ATOM 0 HD3 LYS A 26 -18.202 4.391 -0.416 1.00 13.54 H new ATOM 0 HE2 LYS A 26 -16.894 2.477 -1.316 1.00 43.32 H new ATOM 0 HE3 LYS A 26 -17.147 1.592 0.175 1.00 43.32 H new ATOM 0 HZ1 LYS A 26 -18.704 0.908 -1.526 1.00 14.40 H new ATOM 0 HZ2 LYS A 26 -19.536 1.636 -0.237 1.00 14.40 H new ATOM 0 HZ3 LYS A 26 -19.291 2.493 -1.681 1.00 14.40 H new ATOM 452 N VAL A 27 -13.570 7.210 0.419 1.00 4.22 N ATOM 453 CA VAL A 27 -13.514 8.534 1.057 1.00 4.23 C ATOM 454 C VAL A 27 -14.080 9.628 0.137 1.00 3.05 C ATOM 455 O VAL A 27 -14.480 9.354 -0.996 1.00 24.34 O ATOM 456 CB VAL A 27 -12.061 8.909 1.455 1.00 65.25 C ATOM 457 CG1 VAL A 27 -11.515 7.941 2.505 1.00 5.20 C ATOM 458 CG2 VAL A 27 -11.152 8.947 0.224 1.00 12.52 C ATOM 0 H VAL A 27 -13.185 7.188 -0.525 1.00 4.22 H new ATOM 0 HA VAL A 27 -14.128 8.473 1.956 1.00 4.23 H new ATOM 0 HB VAL A 27 -12.079 9.907 1.894 1.00 65.25 H new ATOM 0 HG11 VAL A 27 -10.496 8.225 2.767 1.00 5.20 H new ATOM 0 HG12 VAL A 27 -12.142 7.978 3.396 1.00 5.20 H new ATOM 0 HG13 VAL A 27 -11.517 6.928 2.102 1.00 5.20 H new ATOM 0 HG21 VAL A 27 -10.139 9.212 0.528 1.00 12.52 H new ATOM 0 HG22 VAL A 27 -11.143 7.967 -0.252 1.00 12.52 H new ATOM 0 HG23 VAL A 27 -11.525 9.690 -0.481 1.00 12.52 H new ATOM 468 N LEU A 28 -14.125 10.864 0.637 1.00 74.40 N ATOM 469 CA LEU A 28 -14.569 12.013 -0.163 1.00 50.42 C ATOM 470 C LEU A 28 -13.363 12.794 -0.710 1.00 35.52 C ATOM 471 O LEU A 28 -12.261 12.726 -0.158 1.00 62.32 O ATOM 472 CB LEU A 28 -15.446 12.949 0.686 1.00 61.22 C ATOM 473 CG LEU A 28 -16.745 12.336 1.233 1.00 10.41 C ATOM 474 CD1 LEU A 28 -17.475 13.326 2.145 1.00 55.01 C ATOM 475 CD2 LEU A 28 -17.650 11.893 0.086 1.00 64.51 C ATOM 0 H LEU A 28 -13.859 11.098 1.594 1.00 74.40 H new ATOM 0 HA LEU A 28 -15.154 11.635 -1.002 1.00 50.42 H new ATOM 0 HB2 LEU A 28 -14.853 13.307 1.528 1.00 61.22 H new ATOM 0 HB3 LEU A 28 -15.703 13.820 0.084 1.00 61.22 H new ATOM 0 HG LEU A 28 -16.485 11.460 1.827 1.00 10.41 H new ATOM 0 HD11 LEU A 28 -18.391 12.869 2.519 1.00 55.01 H new ATOM 0 HD12 LEU A 28 -16.832 13.590 2.985 1.00 55.01 H new ATOM 0 HD13 LEU A 28 -17.723 14.225 1.581 1.00 55.01 H new ATOM 0 HD21 LEU A 28 -18.565 11.461 0.491 1.00 64.51 H new ATOM 0 HD22 LEU A 28 -17.898 12.754 -0.535 1.00 64.51 H new ATOM 0 HD23 LEU A 28 -17.133 11.147 -0.518 1.00 64.51 H new ATOM 487 N GLU A 29 -13.573 13.542 -1.793 1.00 13.44 N ATOM 488 CA GLU A 29 -12.502 14.356 -2.386 1.00 1.54 C ATOM 489 C GLU A 29 -11.941 15.369 -1.372 1.00 2.14 C ATOM 490 O GLU A 29 -12.679 16.177 -0.808 1.00 35.02 O ATOM 491 CB GLU A 29 -13.004 15.097 -3.638 1.00 43.10 C ATOM 492 CG GLU A 29 -13.444 14.175 -4.777 1.00 5.42 C ATOM 493 CD GLU A 29 -13.764 14.929 -6.062 1.00 3.23 C ATOM 494 OE1 GLU A 29 -14.799 15.623 -6.107 1.00 21.40 O ATOM 495 OE2 GLU A 29 -12.983 14.819 -7.037 1.00 20.44 O ATOM 0 H GLU A 29 -14.468 13.604 -2.278 1.00 13.44 H new ATOM 0 HA GLU A 29 -11.701 13.676 -2.675 1.00 1.54 H new ATOM 0 HB2 GLU A 29 -13.842 15.735 -3.357 1.00 43.10 H new ATOM 0 HB3 GLU A 29 -12.212 15.752 -4.001 1.00 43.10 H new ATOM 0 HG2 GLU A 29 -12.655 13.449 -4.975 1.00 5.42 H new ATOM 0 HG3 GLU A 29 -14.324 13.613 -4.463 1.00 5.42 H new ATOM 502 N GLY A 30 -10.630 15.309 -1.139 1.00 51.13 N ATOM 503 CA GLY A 30 -9.987 16.226 -0.197 1.00 74.23 C ATOM 504 C GLY A 30 -9.529 15.556 1.098 1.00 4.43 C ATOM 505 O GLY A 30 -8.677 16.092 1.811 1.00 31.41 O ATOM 0 H GLY A 30 -9.998 14.643 -1.584 1.00 51.13 H new ATOM 0 HA2 GLY A 30 -9.126 16.686 -0.682 1.00 74.23 H new ATOM 0 HA3 GLY A 30 -10.682 17.029 0.046 1.00 74.23 H new ATOM 509 N ASP A 31 -10.083 14.383 1.404 1.00 12.21 N ATOM 510 CA ASP A 31 -9.730 13.658 2.633 1.00 54.32 C ATOM 511 C ASP A 31 -8.442 12.834 2.476 1.00 65.15 C ATOM 512 O ASP A 31 -7.721 12.948 1.481 1.00 63.34 O ATOM 513 CB ASP A 31 -10.885 12.740 3.056 1.00 53.32 C ATOM 514 CG ASP A 31 -12.111 13.513 3.502 1.00 33.03 C ATOM 515 OD1 ASP A 31 -11.980 14.389 4.382 1.00 54.42 O ATOM 516 OD2 ASP A 31 -13.215 13.230 2.998 1.00 45.12 O ATOM 0 H ASP A 31 -10.776 13.912 0.822 1.00 12.21 H new ATOM 0 HA ASP A 31 -9.550 14.405 3.406 1.00 54.32 H new ATOM 0 HB2 ASP A 31 -11.153 12.091 2.222 1.00 53.32 H new ATOM 0 HB3 ASP A 31 -10.552 12.094 3.868 1.00 53.32 H new ATOM 521 N SER A 32 -8.157 12.010 3.483 1.00 10.50 N ATOM 522 CA SER A 32 -6.981 11.130 3.473 1.00 43.30 C ATOM 523 C SER A 32 -7.354 9.704 3.897 1.00 23.40 C ATOM 524 O SER A 32 -8.171 9.503 4.800 1.00 42.01 O ATOM 525 CB SER A 32 -5.886 11.674 4.402 1.00 41.10 C ATOM 526 OG SER A 32 -6.338 11.780 5.741 1.00 52.30 O ATOM 0 H SER A 32 -8.728 11.931 4.325 1.00 10.50 H new ATOM 0 HA SER A 32 -6.601 11.103 2.452 1.00 43.30 H new ATOM 0 HB2 SER A 32 -5.017 11.018 4.363 1.00 41.10 H new ATOM 0 HB3 SER A 32 -5.563 12.653 4.049 1.00 41.10 H new ATOM 0 HG SER A 32 -5.615 12.128 6.304 1.00 52.30 H new ATOM 532 N VAL A 33 -6.748 8.714 3.248 1.00 43.40 N ATOM 533 CA VAL A 33 -7.049 7.305 3.522 1.00 13.32 C ATOM 534 C VAL A 33 -5.799 6.535 3.986 1.00 61.52 C ATOM 535 O VAL A 33 -4.685 6.795 3.521 1.00 22.54 O ATOM 536 CB VAL A 33 -7.649 6.613 2.268 1.00 1.35 C ATOM 537 CG1 VAL A 33 -6.651 6.619 1.111 1.00 33.14 C ATOM 538 CG2 VAL A 33 -8.105 5.188 2.593 1.00 60.54 C ATOM 0 H VAL A 33 -6.043 8.858 2.526 1.00 43.40 H new ATOM 0 HA VAL A 33 -7.783 7.288 4.328 1.00 13.32 H new ATOM 0 HB VAL A 33 -8.526 7.182 1.958 1.00 1.35 H new ATOM 0 HG11 VAL A 33 -7.095 6.129 0.245 1.00 33.14 H new ATOM 0 HG12 VAL A 33 -6.397 7.648 0.855 1.00 33.14 H new ATOM 0 HG13 VAL A 33 -5.748 6.085 1.407 1.00 33.14 H new ATOM 0 HG21 VAL A 33 -8.521 4.726 1.698 1.00 60.54 H new ATOM 0 HG22 VAL A 33 -7.253 4.604 2.940 1.00 60.54 H new ATOM 0 HG23 VAL A 33 -8.866 5.218 3.373 1.00 60.54 H new ATOM 548 N LYS A 34 -5.998 5.599 4.912 1.00 42.12 N ATOM 549 CA LYS A 34 -4.916 4.741 5.409 1.00 30.32 C ATOM 550 C LYS A 34 -5.156 3.271 5.017 1.00 33.04 C ATOM 551 O LYS A 34 -6.153 2.666 5.415 1.00 63.43 O ATOM 552 CB LYS A 34 -4.800 4.880 6.941 1.00 34.45 C ATOM 553 CG LYS A 34 -6.112 4.632 7.688 1.00 54.44 C ATOM 554 CD LYS A 34 -6.003 4.892 9.197 1.00 31.22 C ATOM 555 CE LYS A 34 -5.190 3.825 9.933 1.00 15.54 C ATOM 556 NZ LYS A 34 -3.732 3.922 9.664 1.00 42.41 N ATOM 0 H LYS A 34 -6.906 5.412 5.338 1.00 42.12 H new ATOM 0 HA LYS A 34 -3.980 5.061 4.951 1.00 30.32 H new ATOM 0 HB2 LYS A 34 -4.049 4.178 7.304 1.00 34.45 H new ATOM 0 HB3 LYS A 34 -4.442 5.882 7.179 1.00 34.45 H new ATOM 0 HG2 LYS A 34 -6.888 5.273 7.270 1.00 54.44 H new ATOM 0 HG3 LYS A 34 -6.427 3.601 7.525 1.00 54.44 H new ATOM 0 HD2 LYS A 34 -5.543 5.867 9.359 1.00 31.22 H new ATOM 0 HD3 LYS A 34 -7.004 4.937 9.625 1.00 31.22 H new ATOM 0 HE2 LYS A 34 -5.364 3.918 11.005 1.00 15.54 H new ATOM 0 HE3 LYS A 34 -5.544 2.837 9.637 1.00 15.54 H new ATOM 0 HZ1 LYS A 34 -3.422 3.088 9.126 1.00 42.41 H new ATOM 0 HZ2 LYS A 34 -3.537 4.782 9.112 1.00 42.41 H new ATOM 0 HZ3 LYS A 34 -3.215 3.965 10.565 1.00 42.41 H new ATOM 570 N LEU A 35 -4.242 2.708 4.231 1.00 23.34 N ATOM 571 CA LEU A 35 -4.334 1.303 3.806 1.00 62.00 C ATOM 572 C LEU A 35 -3.133 0.506 4.330 1.00 52.25 C ATOM 573 O LEU A 35 -2.004 0.727 3.900 1.00 70.20 O ATOM 574 CB LEU A 35 -4.393 1.220 2.272 1.00 60.44 C ATOM 575 CG LEU A 35 -5.587 1.938 1.616 1.00 72.21 C ATOM 576 CD1 LEU A 35 -5.487 1.877 0.092 1.00 4.04 C ATOM 577 CD2 LEU A 35 -6.909 1.336 2.097 1.00 23.34 C ATOM 0 H LEU A 35 -3.424 3.200 3.871 1.00 23.34 H new ATOM 0 HA LEU A 35 -5.245 0.872 4.221 1.00 62.00 H new ATOM 0 HB2 LEU A 35 -3.472 1.639 1.867 1.00 60.44 H new ATOM 0 HB3 LEU A 35 -4.419 0.169 1.983 1.00 60.44 H new ATOM 0 HG LEU A 35 -5.560 2.986 1.915 1.00 72.21 H new ATOM 0 HD11 LEU A 35 -6.341 2.391 -0.350 1.00 4.04 H new ATOM 0 HD12 LEU A 35 -4.566 2.361 -0.232 1.00 4.04 H new ATOM 0 HD13 LEU A 35 -5.483 0.836 -0.231 1.00 4.04 H new ATOM 0 HD21 LEU A 35 -7.740 1.857 1.622 1.00 23.34 H new ATOM 0 HD22 LEU A 35 -6.945 0.279 1.833 1.00 23.34 H new ATOM 0 HD23 LEU A 35 -6.985 1.442 3.179 1.00 23.34 H new ATOM 589 N GLU A 36 -3.368 -0.427 5.250 1.00 61.45 N ATOM 590 CA GLU A 36 -2.264 -1.143 5.901 1.00 24.13 C ATOM 591 C GLU A 36 -2.523 -2.645 6.060 1.00 50.01 C ATOM 592 O GLU A 36 -3.665 -3.106 6.044 1.00 44.33 O ATOM 593 CB GLU A 36 -1.954 -0.505 7.261 1.00 3.35 C ATOM 594 CG GLU A 36 -3.160 -0.360 8.182 1.00 11.44 C ATOM 595 CD GLU A 36 -2.849 0.489 9.404 1.00 15.22 C ATOM 596 OE1 GLU A 36 -2.544 1.687 9.230 1.00 32.10 O ATOM 597 OE2 GLU A 36 -2.909 -0.028 10.539 1.00 3.02 O ATOM 0 H GLU A 36 -4.299 -0.705 5.561 1.00 61.45 H new ATOM 0 HA GLU A 36 -1.400 -1.051 5.243 1.00 24.13 H new ATOM 0 HB2 GLU A 36 -1.198 -1.106 7.766 1.00 3.35 H new ATOM 0 HB3 GLU A 36 -1.519 0.481 7.095 1.00 3.35 H new ATOM 0 HG2 GLU A 36 -3.985 0.089 7.630 1.00 11.44 H new ATOM 0 HG3 GLU A 36 -3.491 -1.348 8.502 1.00 11.44 H new ATOM 604 N CYS A 37 -1.433 -3.394 6.206 1.00 24.34 N ATOM 605 CA CYS A 37 -1.480 -4.854 6.344 1.00 72.20 C ATOM 606 C CYS A 37 -0.239 -5.373 7.083 1.00 0.11 C ATOM 607 O CYS A 37 0.677 -4.609 7.382 1.00 11.41 O ATOM 608 CB CYS A 37 -1.564 -5.512 4.965 1.00 4.44 C ATOM 609 SG CYS A 37 -0.176 -5.116 3.876 1.00 45.40 S ATOM 0 H CYS A 37 -0.489 -3.009 6.232 1.00 24.34 H new ATOM 0 HA CYS A 37 -2.367 -5.110 6.924 1.00 72.20 H new ATOM 0 HB2 CYS A 37 -1.616 -6.593 5.092 1.00 4.44 H new ATOM 0 HB3 CYS A 37 -2.491 -5.203 4.482 1.00 4.44 H new ATOM 0 HG CYS A 37 0.175 -6.180 3.216 1.00 45.40 H new ATOM 615 N GLN A 38 -0.211 -6.675 7.374 1.00 70.51 N ATOM 616 CA GLN A 38 0.951 -7.300 8.029 1.00 14.14 C ATOM 617 C GLN A 38 1.669 -8.277 7.081 1.00 25.43 C ATOM 618 O GLN A 38 1.133 -9.336 6.750 1.00 14.34 O ATOM 619 CB GLN A 38 0.523 -8.055 9.300 1.00 51.20 C ATOM 620 CG GLN A 38 -0.113 -7.185 10.382 1.00 21.33 C ATOM 621 CD GLN A 38 0.836 -6.163 10.997 1.00 43.13 C ATOM 622 OE1 GLN A 38 0.415 -5.107 11.441 1.00 64.33 O ATOM 623 NE2 GLN A 38 2.117 -6.466 11.039 1.00 63.04 N ATOM 0 H GLN A 38 -0.975 -7.319 7.169 1.00 70.51 H new ATOM 0 HA GLN A 38 1.638 -6.498 8.298 1.00 14.14 H new ATOM 0 HB2 GLN A 38 -0.184 -8.836 9.020 1.00 51.20 H new ATOM 0 HB3 GLN A 38 1.397 -8.552 9.721 1.00 51.20 H new ATOM 0 HG2 GLN A 38 -0.968 -6.660 9.955 1.00 21.33 H new ATOM 0 HG3 GLN A 38 -0.497 -7.830 11.172 1.00 21.33 H new ATOM 0 HE21 GLN A 38 2.443 -7.355 10.661 1.00 63.04 H new ATOM 0 HE22 GLN A 38 2.783 -5.811 11.450 1.00 63.04 H new ATOM 632 N ILE A 39 2.874 -7.916 6.647 1.00 41.35 N ATOM 633 CA ILE A 39 3.716 -8.803 5.838 1.00 50.41 C ATOM 634 C ILE A 39 4.900 -9.318 6.670 1.00 4.31 C ATOM 635 O ILE A 39 5.769 -8.543 7.064 1.00 12.32 O ATOM 636 CB ILE A 39 4.268 -8.072 4.587 1.00 32.34 C ATOM 637 CG1 ILE A 39 3.121 -7.446 3.776 1.00 31.11 C ATOM 638 CG2 ILE A 39 5.080 -9.032 3.717 1.00 24.11 C ATOM 639 CD1 ILE A 39 3.583 -6.643 2.575 1.00 44.31 C ATOM 0 H ILE A 39 3.295 -7.008 6.843 1.00 41.35 H new ATOM 0 HA ILE A 39 3.094 -9.638 5.515 1.00 50.41 H new ATOM 0 HB ILE A 39 4.928 -7.272 4.922 1.00 32.34 H new ATOM 0 HG12 ILE A 39 2.455 -8.239 3.436 1.00 31.11 H new ATOM 0 HG13 ILE A 39 2.538 -6.799 4.431 1.00 31.11 H new ATOM 0 HG21 ILE A 39 5.459 -8.500 2.844 1.00 24.11 H new ATOM 0 HG22 ILE A 39 5.917 -9.426 4.293 1.00 24.11 H new ATOM 0 HG23 ILE A 39 4.444 -9.855 3.392 1.00 24.11 H new ATOM 0 HD11 ILE A 39 2.716 -6.234 2.055 1.00 44.31 H new ATOM 0 HD12 ILE A 39 4.225 -5.827 2.908 1.00 44.31 H new ATOM 0 HD13 ILE A 39 4.141 -7.290 1.898 1.00 44.31 H new ATOM 651 N SER A 40 4.948 -10.622 6.928 1.00 24.13 N ATOM 652 CA SER A 40 6.027 -11.196 7.748 1.00 73.14 C ATOM 653 C SER A 40 7.175 -11.711 6.871 1.00 65.34 C ATOM 654 O SER A 40 7.058 -12.756 6.231 1.00 51.21 O ATOM 655 CB SER A 40 5.495 -12.335 8.628 1.00 52.42 C ATOM 656 OG SER A 40 6.492 -12.791 9.529 1.00 1.13 O ATOM 0 H SER A 40 4.265 -11.299 6.589 1.00 24.13 H new ATOM 0 HA SER A 40 6.409 -10.402 8.389 1.00 73.14 H new ATOM 0 HB2 SER A 40 4.625 -11.991 9.187 1.00 52.42 H new ATOM 0 HB3 SER A 40 5.164 -13.161 7.999 1.00 52.42 H new ATOM 0 HG SER A 40 6.129 -13.516 10.080 1.00 1.13 H new ATOM 662 N ALA A 41 8.265 -10.942 6.809 1.00 64.22 N ATOM 663 CA ALA A 41 9.461 -11.331 6.050 1.00 42.31 C ATOM 664 C ALA A 41 10.750 -11.122 6.864 1.00 53.23 C ATOM 665 O ALA A 41 10.795 -10.289 7.773 1.00 41.12 O ATOM 666 CB ALA A 41 9.533 -10.540 4.753 1.00 4.23 C ATOM 0 H ALA A 41 8.346 -10.040 7.278 1.00 64.22 H new ATOM 0 HA ALA A 41 9.379 -12.395 5.827 1.00 42.31 H new ATOM 0 HB1 ALA A 41 10.423 -10.834 4.196 1.00 4.23 H new ATOM 0 HB2 ALA A 41 8.646 -10.743 4.153 1.00 4.23 H new ATOM 0 HB3 ALA A 41 9.582 -9.475 4.979 1.00 4.23 H new ATOM 672 N ILE A 42 11.801 -11.870 6.526 1.00 64.14 N ATOM 673 CA ILE A 42 13.123 -11.696 7.155 1.00 23.32 C ATOM 674 C ILE A 42 14.251 -11.808 6.107 1.00 53.34 C ATOM 675 O ILE A 42 14.503 -12.890 5.578 1.00 14.54 O ATOM 676 CB ILE A 42 13.368 -12.743 8.280 1.00 63.12 C ATOM 677 CG1 ILE A 42 12.318 -12.595 9.397 1.00 55.12 C ATOM 678 CG2 ILE A 42 14.784 -12.614 8.848 1.00 52.12 C ATOM 679 CD1 ILE A 42 12.496 -13.564 10.548 1.00 3.11 C ATOM 0 H ILE A 42 11.768 -12.605 5.820 1.00 64.14 H new ATOM 0 HA ILE A 42 13.133 -10.700 7.597 1.00 23.32 H new ATOM 0 HB ILE A 42 13.268 -13.737 7.845 1.00 63.12 H new ATOM 0 HG12 ILE A 42 12.357 -11.577 9.784 1.00 55.12 H new ATOM 0 HG13 ILE A 42 11.326 -12.735 8.969 1.00 55.12 H new ATOM 0 HG21 ILE A 42 14.930 -13.356 9.632 1.00 52.12 H new ATOM 0 HG22 ILE A 42 15.511 -12.778 8.053 1.00 52.12 H new ATOM 0 HG23 ILE A 42 14.920 -11.616 9.264 1.00 52.12 H new ATOM 0 HD11 ILE A 42 11.717 -13.394 11.291 1.00 3.11 H new ATOM 0 HD12 ILE A 42 12.426 -14.587 10.177 1.00 3.11 H new ATOM 0 HD13 ILE A 42 13.473 -13.410 11.005 1.00 3.11 H new ATOM 691 N PRO A 43 14.936 -10.694 5.763 1.00 42.45 N ATOM 692 CA PRO A 43 14.664 -9.350 6.319 1.00 1.13 C ATOM 693 C PRO A 43 13.473 -8.642 5.632 1.00 63.31 C ATOM 694 O PRO A 43 12.912 -9.161 4.666 1.00 31.25 O ATOM 695 CB PRO A 43 15.981 -8.614 6.029 1.00 62.33 C ATOM 696 CG PRO A 43 16.461 -9.212 4.750 1.00 12.11 C ATOM 697 CD PRO A 43 16.049 -10.666 4.789 1.00 21.23 C ATOM 0 HA PRO A 43 14.381 -9.380 7.371 1.00 1.13 H new ATOM 0 HB2 PRO A 43 15.824 -7.540 5.932 1.00 62.33 H new ATOM 0 HB3 PRO A 43 16.703 -8.759 6.832 1.00 62.33 H new ATOM 0 HG2 PRO A 43 16.020 -8.704 3.892 1.00 12.11 H new ATOM 0 HG3 PRO A 43 17.543 -9.115 4.656 1.00 12.11 H new ATOM 0 HD2 PRO A 43 15.730 -11.017 3.808 1.00 21.23 H new ATOM 0 HD3 PRO A 43 16.873 -11.306 5.105 1.00 21.23 H new ATOM 705 N PRO A 44 13.051 -7.461 6.136 1.00 50.51 N ATOM 706 CA PRO A 44 11.988 -6.657 5.496 1.00 51.54 C ATOM 707 C PRO A 44 12.234 -6.431 3.987 1.00 1.12 C ATOM 708 O PRO A 44 13.328 -6.031 3.581 1.00 43.32 O ATOM 709 CB PRO A 44 12.052 -5.331 6.262 1.00 63.10 C ATOM 710 CG PRO A 44 12.558 -5.712 7.611 1.00 44.45 C ATOM 711 CD PRO A 44 13.545 -6.825 7.375 1.00 1.43 C ATOM 0 HA PRO A 44 11.017 -7.150 5.542 1.00 51.54 H new ATOM 0 HB2 PRO A 44 12.718 -4.620 5.773 1.00 63.10 H new ATOM 0 HB3 PRO A 44 11.072 -4.859 6.323 1.00 63.10 H new ATOM 0 HG2 PRO A 44 13.034 -4.865 8.105 1.00 44.45 H new ATOM 0 HG3 PRO A 44 11.744 -6.041 8.256 1.00 44.45 H new ATOM 0 HD2 PRO A 44 14.559 -6.444 7.255 1.00 1.43 H new ATOM 0 HD3 PRO A 44 13.565 -7.528 8.208 1.00 1.43 H new ATOM 719 N PRO A 45 11.221 -6.679 3.133 1.00 51.14 N ATOM 720 CA PRO A 45 11.370 -6.599 1.672 1.00 64.34 C ATOM 721 C PRO A 45 11.122 -5.193 1.095 1.00 22.22 C ATOM 722 O PRO A 45 10.653 -4.288 1.794 1.00 35.25 O ATOM 723 CB PRO A 45 10.285 -7.569 1.197 1.00 21.40 C ATOM 724 CG PRO A 45 9.186 -7.418 2.200 1.00 42.42 C ATOM 725 CD PRO A 45 9.847 -7.063 3.515 1.00 4.41 C ATOM 0 HA PRO A 45 12.384 -6.834 1.350 1.00 64.34 H new ATOM 0 HB2 PRO A 45 9.943 -7.321 0.192 1.00 21.40 H new ATOM 0 HB3 PRO A 45 10.655 -8.594 1.164 1.00 21.40 H new ATOM 0 HG2 PRO A 45 8.487 -6.639 1.895 1.00 42.42 H new ATOM 0 HG3 PRO A 45 8.614 -8.342 2.291 1.00 42.42 H new ATOM 0 HD2 PRO A 45 9.328 -6.245 4.014 1.00 4.41 H new ATOM 0 HD3 PRO A 45 9.846 -7.908 4.203 1.00 4.41 H new ATOM 733 N LYS A 46 11.441 -5.020 -0.192 1.00 54.54 N ATOM 734 CA LYS A 46 11.134 -3.778 -0.909 1.00 21.12 C ATOM 735 C LYS A 46 9.670 -3.777 -1.365 1.00 52.13 C ATOM 736 O LYS A 46 9.209 -4.710 -2.028 1.00 0.32 O ATOM 737 CB LYS A 46 12.069 -3.593 -2.118 1.00 1.34 C ATOM 738 CG LYS A 46 11.776 -2.341 -2.944 1.00 45.44 C ATOM 739 CD LYS A 46 11.854 -1.058 -2.116 1.00 60.35 C ATOM 740 CE LYS A 46 11.429 0.157 -2.934 1.00 2.01 C ATOM 741 NZ LYS A 46 11.462 1.409 -2.139 1.00 24.23 N ATOM 0 H LYS A 46 11.912 -5.725 -0.759 1.00 54.54 H new ATOM 0 HA LYS A 46 11.293 -2.943 -0.226 1.00 21.12 H new ATOM 0 HB2 LYS A 46 13.099 -3.550 -1.764 1.00 1.34 H new ATOM 0 HB3 LYS A 46 11.990 -4.468 -2.763 1.00 1.34 H new ATOM 0 HG2 LYS A 46 12.486 -2.280 -3.769 1.00 45.44 H new ATOM 0 HG3 LYS A 46 10.782 -2.425 -3.384 1.00 45.44 H new ATOM 0 HD2 LYS A 46 11.214 -1.150 -1.238 1.00 60.35 H new ATOM 0 HD3 LYS A 46 12.873 -0.917 -1.755 1.00 60.35 H new ATOM 0 HE2 LYS A 46 12.087 0.260 -3.797 1.00 2.01 H new ATOM 0 HE3 LYS A 46 10.421 -0.001 -3.318 1.00 2.01 H new ATOM 0 HZ1 LYS A 46 11.166 2.207 -2.736 1.00 24.23 H new ATOM 0 HZ2 LYS A 46 10.815 1.323 -1.329 1.00 24.23 H new ATOM 0 HZ3 LYS A 46 12.429 1.575 -1.793 1.00 24.23 H new ATOM 755 N LEU A 47 8.946 -2.726 -0.999 1.00 14.53 N ATOM 756 CA LEU A 47 7.508 -2.642 -1.259 1.00 41.25 C ATOM 757 C LEU A 47 7.196 -1.742 -2.464 1.00 63.01 C ATOM 758 O LEU A 47 7.513 -0.551 -2.465 1.00 64.31 O ATOM 759 CB LEU A 47 6.805 -2.107 -0.011 1.00 1.23 C ATOM 760 CG LEU A 47 7.117 -2.874 1.282 1.00 62.25 C ATOM 761 CD1 LEU A 47 6.542 -2.142 2.483 1.00 14.22 C ATOM 762 CD2 LEU A 47 6.580 -4.305 1.207 1.00 22.13 C ATOM 0 H LEU A 47 9.331 -1.913 -0.518 1.00 14.53 H new ATOM 0 HA LEU A 47 7.144 -3.642 -1.497 1.00 41.25 H new ATOM 0 HB2 LEU A 47 7.084 -1.062 0.126 1.00 1.23 H new ATOM 0 HB3 LEU A 47 5.728 -2.130 -0.180 1.00 1.23 H new ATOM 0 HG LEU A 47 8.199 -2.928 1.399 1.00 62.25 H new ATOM 0 HD11 LEU A 47 6.771 -2.698 3.392 1.00 14.22 H new ATOM 0 HD12 LEU A 47 6.981 -1.146 2.546 1.00 14.22 H new ATOM 0 HD13 LEU A 47 5.461 -2.056 2.373 1.00 14.22 H new ATOM 0 HD21 LEU A 47 6.812 -4.830 2.134 1.00 22.13 H new ATOM 0 HD22 LEU A 47 5.500 -4.281 1.065 1.00 22.13 H new ATOM 0 HD23 LEU A 47 7.045 -4.825 0.369 1.00 22.13 H new ATOM 774 N PHE A 48 6.576 -2.322 -3.484 1.00 33.23 N ATOM 775 CA PHE A 48 6.159 -1.575 -4.675 1.00 14.44 C ATOM 776 C PHE A 48 4.635 -1.391 -4.705 1.00 24.40 C ATOM 777 O PHE A 48 3.886 -2.368 -4.716 1.00 3.45 O ATOM 778 CB PHE A 48 6.615 -2.307 -5.946 1.00 11.15 C ATOM 779 CG PHE A 48 8.114 -2.446 -6.070 1.00 64.51 C ATOM 780 CD1 PHE A 48 8.867 -1.454 -6.685 1.00 44.13 C ATOM 781 CD2 PHE A 48 8.769 -3.565 -5.574 1.00 21.01 C ATOM 782 CE1 PHE A 48 10.239 -1.577 -6.802 1.00 23.11 C ATOM 783 CE2 PHE A 48 10.139 -3.690 -5.691 1.00 12.35 C ATOM 784 CZ PHE A 48 10.875 -2.698 -6.305 1.00 33.21 C ATOM 0 H PHE A 48 6.347 -3.316 -3.514 1.00 33.23 H new ATOM 0 HA PHE A 48 6.626 -0.591 -4.635 1.00 14.44 H new ATOM 0 HB2 PHE A 48 6.166 -3.300 -5.962 1.00 11.15 H new ATOM 0 HB3 PHE A 48 6.237 -1.772 -6.817 1.00 11.15 H new ATOM 0 HD1 PHE A 48 8.375 -0.576 -7.076 1.00 44.13 H new ATOM 0 HD2 PHE A 48 8.201 -4.346 -5.091 1.00 21.01 H new ATOM 0 HE1 PHE A 48 10.813 -0.798 -7.281 1.00 23.11 H new ATOM 0 HE2 PHE A 48 10.635 -4.566 -5.301 1.00 12.35 H new ATOM 0 HZ PHE A 48 11.946 -2.798 -6.397 1.00 33.21 H new ATOM 794 N TRP A 49 4.181 -0.137 -4.705 1.00 30.35 N ATOM 795 CA TRP A 49 2.747 0.173 -4.812 1.00 0.13 C ATOM 796 C TRP A 49 2.420 0.797 -6.175 1.00 2.44 C ATOM 797 O TRP A 49 2.988 1.826 -6.558 1.00 75.33 O ATOM 798 CB TRP A 49 2.307 1.122 -3.685 1.00 34.15 C ATOM 799 CG TRP A 49 2.234 0.467 -2.336 1.00 13.22 C ATOM 800 CD1 TRP A 49 3.263 0.252 -1.469 1.00 70.23 C ATOM 801 CD2 TRP A 49 1.059 -0.048 -1.696 1.00 34.23 C ATOM 802 NE1 TRP A 49 2.804 -0.369 -0.333 1.00 73.10 N ATOM 803 CE2 TRP A 49 1.453 -0.562 -0.449 1.00 53.12 C ATOM 804 CE3 TRP A 49 -0.287 -0.121 -2.061 1.00 32.20 C ATOM 805 CZ2 TRP A 49 0.549 -1.141 0.439 1.00 51.33 C ATOM 806 CZ3 TRP A 49 -1.185 -0.697 -1.182 1.00 23.44 C ATOM 807 CH2 TRP A 49 -0.764 -1.200 0.056 1.00 3.30 C ATOM 0 H TRP A 49 4.782 0.684 -4.632 1.00 30.35 H new ATOM 0 HA TRP A 49 2.199 -0.764 -4.717 1.00 0.13 H new ATOM 0 HB2 TRP A 49 3.003 1.959 -3.635 1.00 34.15 H new ATOM 0 HB3 TRP A 49 1.329 1.535 -3.932 1.00 34.15 H new ATOM 0 HD1 TRP A 49 4.291 0.530 -1.649 1.00 70.23 H new ATOM 0 HE1 TRP A 49 3.376 -0.642 0.466 1.00 73.10 H new ATOM 0 HE3 TRP A 49 -0.620 0.266 -3.013 1.00 32.20 H new ATOM 0 HZ2 TRP A 49 0.872 -1.529 1.394 1.00 51.33 H new ATOM 0 HZ3 TRP A 49 -2.228 -0.760 -1.454 1.00 23.44 H new ATOM 0 HH2 TRP A 49 -1.490 -1.643 0.722 1.00 3.30 H new ATOM 818 N LYS A 50 1.491 0.181 -6.897 1.00 65.44 N ATOM 819 CA LYS A 50 1.099 0.660 -8.224 1.00 21.21 C ATOM 820 C LYS A 50 -0.400 1.006 -8.271 1.00 70.13 C ATOM 821 O LYS A 50 -1.243 0.182 -7.930 1.00 31.01 O ATOM 822 CB LYS A 50 1.438 -0.421 -9.263 1.00 14.04 C ATOM 823 CG LYS A 50 1.203 0.000 -10.709 1.00 41.13 C ATOM 824 CD LYS A 50 1.610 -1.096 -11.694 1.00 5.00 C ATOM 825 CE LYS A 50 0.803 -2.376 -11.491 1.00 52.11 C ATOM 826 NZ LYS A 50 1.197 -3.444 -12.450 1.00 52.34 N ATOM 0 H LYS A 50 0.992 -0.653 -6.588 1.00 65.44 H new ATOM 0 HA LYS A 50 1.650 1.573 -8.451 1.00 21.21 H new ATOM 0 HB2 LYS A 50 2.484 -0.705 -9.146 1.00 14.04 H new ATOM 0 HB3 LYS A 50 0.841 -1.309 -9.054 1.00 14.04 H new ATOM 0 HG2 LYS A 50 0.150 0.242 -10.850 1.00 41.13 H new ATOM 0 HG3 LYS A 50 1.770 0.907 -10.920 1.00 41.13 H new ATOM 0 HD2 LYS A 50 1.470 -0.737 -12.714 1.00 5.00 H new ATOM 0 HD3 LYS A 50 2.671 -1.314 -11.576 1.00 5.00 H new ATOM 0 HE2 LYS A 50 0.944 -2.735 -10.471 1.00 52.11 H new ATOM 0 HE3 LYS A 50 -0.258 -2.157 -11.608 1.00 52.11 H new ATOM 0 HZ1 LYS A 50 0.624 -4.295 -12.277 1.00 52.34 H new ATOM 0 HZ2 LYS A 50 1.039 -3.112 -13.423 1.00 52.34 H new ATOM 0 HZ3 LYS A 50 2.203 -3.672 -12.321 1.00 52.34 H new ATOM 840 N ARG A 51 -0.721 2.218 -8.718 1.00 31.00 N ATOM 841 CA ARG A 51 -2.110 2.690 -8.801 1.00 74.32 C ATOM 842 C ARG A 51 -2.595 2.758 -10.253 1.00 22.42 C ATOM 843 O ARG A 51 -2.081 3.546 -11.046 1.00 32.21 O ATOM 844 CB ARG A 51 -2.226 4.085 -8.172 1.00 54.14 C ATOM 845 CG ARG A 51 -3.628 4.689 -8.266 1.00 1.33 C ATOM 846 CD ARG A 51 -3.677 6.115 -7.722 1.00 22.11 C ATOM 847 NE ARG A 51 -2.904 7.056 -8.532 1.00 3.44 N ATOM 848 CZ ARG A 51 -3.064 8.353 -8.489 1.00 22.24 C ATOM 849 NH1 ARG A 51 -3.937 8.881 -7.696 1.00 34.21 N ATOM 850 NH2 ARG A 51 -2.348 9.123 -9.241 1.00 10.13 N ATOM 0 H ARG A 51 -0.032 2.901 -9.033 1.00 31.00 H new ATOM 0 HA ARG A 51 -2.733 1.978 -8.259 1.00 74.32 H new ATOM 0 HB2 ARG A 51 -1.935 4.026 -7.123 1.00 54.14 H new ATOM 0 HB3 ARG A 51 -1.518 4.754 -8.662 1.00 54.14 H new ATOM 0 HG2 ARG A 51 -3.954 4.687 -9.306 1.00 1.33 H new ATOM 0 HG3 ARG A 51 -4.329 4.065 -7.711 1.00 1.33 H new ATOM 0 HD2 ARG A 51 -4.714 6.447 -7.678 1.00 22.11 H new ATOM 0 HD3 ARG A 51 -3.296 6.123 -6.701 1.00 22.11 H new ATOM 0 HE ARG A 51 -2.200 6.679 -9.167 1.00 3.44 H new ATOM 0 HH11 ARG A 51 -4.508 8.285 -7.097 1.00 34.21 H new ATOM 0 HH12 ARG A 51 -4.055 9.894 -7.669 1.00 34.21 H new ATOM 0 HH21 ARG A 51 -1.655 8.719 -9.871 1.00 10.13 H new ATOM 0 HH22 ARG A 51 -2.476 10.134 -9.204 1.00 10.13 H new ATOM 864 N ASN A 52 -3.587 1.935 -10.592 1.00 74.41 N ATOM 865 CA ASN A 52 -4.199 1.955 -11.929 1.00 51.51 C ATOM 866 C ASN A 52 -3.124 1.906 -13.038 1.00 41.24 C ATOM 867 O ASN A 52 -2.997 2.829 -13.849 1.00 64.41 O ATOM 868 CB ASN A 52 -5.088 3.205 -12.081 1.00 51.24 C ATOM 869 CG ASN A 52 -6.077 3.099 -13.231 1.00 42.20 C ATOM 870 OD1 ASN A 52 -5.832 2.419 -14.220 1.00 4.53 O ATOM 871 ND2 ASN A 52 -7.207 3.767 -13.106 1.00 15.14 N ATOM 0 H ASN A 52 -3.988 1.242 -9.960 1.00 74.41 H new ATOM 0 HA ASN A 52 -4.820 1.066 -12.037 1.00 51.51 H new ATOM 0 HB2 ASN A 52 -5.636 3.369 -11.153 1.00 51.24 H new ATOM 0 HB3 ASN A 52 -4.454 4.078 -12.235 1.00 51.24 H new ATOM 0 HD21 ASN A 52 -7.908 3.727 -13.846 1.00 15.14 H new ATOM 0 HD22 ASN A 52 -7.380 4.324 -12.269 1.00 15.14 H new ATOM 878 N ASN A 53 -2.331 0.829 -13.025 1.00 1.34 N ATOM 879 CA ASN A 53 -1.278 0.581 -14.032 1.00 51.33 C ATOM 880 C ASN A 53 -0.058 1.526 -13.900 1.00 24.14 C ATOM 881 O ASN A 53 0.931 1.359 -14.613 1.00 35.52 O ATOM 882 CB ASN A 53 -1.855 0.662 -15.457 1.00 73.41 C ATOM 883 CG ASN A 53 -3.019 -0.287 -15.677 1.00 33.24 C ATOM 884 OD1 ASN A 53 -3.112 -1.338 -15.051 1.00 10.35 O ATOM 885 ND2 ASN A 53 -3.914 0.075 -16.570 1.00 30.51 N ATOM 0 H ASN A 53 -2.397 0.099 -12.316 1.00 1.34 H new ATOM 0 HA ASN A 53 -0.914 -0.428 -13.839 1.00 51.33 H new ATOM 0 HB2 ASN A 53 -2.183 1.683 -15.653 1.00 73.41 H new ATOM 0 HB3 ASN A 53 -1.068 0.436 -16.176 1.00 73.41 H new ATOM 0 HD21 ASN A 53 -4.717 -0.525 -16.760 1.00 30.51 H new ATOM 0 HD22 ASN A 53 -3.806 0.956 -17.073 1.00 30.51 H new ATOM 892 N GLU A 54 -0.117 2.504 -12.991 1.00 4.11 N ATOM 893 CA GLU A 54 0.990 3.467 -12.804 1.00 5.30 C ATOM 894 C GLU A 54 1.478 3.510 -11.346 1.00 1.14 C ATOM 895 O GLU A 54 0.681 3.624 -10.423 1.00 33.33 O ATOM 896 CB GLU A 54 0.543 4.867 -13.243 1.00 25.15 C ATOM 897 CG GLU A 54 0.294 4.983 -14.740 1.00 14.11 C ATOM 898 CD GLU A 54 -0.221 6.353 -15.149 1.00 73.41 C ATOM 899 OE1 GLU A 54 0.524 7.346 -14.991 1.00 74.30 O ATOM 900 OE2 GLU A 54 -1.369 6.439 -15.635 1.00 74.11 O ATOM 0 H GLU A 54 -0.913 2.656 -12.372 1.00 4.11 H new ATOM 0 HA GLU A 54 1.824 3.133 -13.422 1.00 5.30 H new ATOM 0 HB2 GLU A 54 -0.370 5.132 -12.709 1.00 25.15 H new ATOM 0 HB3 GLU A 54 1.304 5.591 -12.952 1.00 25.15 H new ATOM 0 HG2 GLU A 54 1.221 4.774 -15.275 1.00 14.11 H new ATOM 0 HG3 GLU A 54 -0.427 4.224 -15.043 1.00 14.11 H new ATOM 907 N MET A 55 2.795 3.432 -11.143 1.00 60.32 N ATOM 908 CA MET A 55 3.375 3.413 -9.791 1.00 40.33 C ATOM 909 C MET A 55 3.128 4.722 -9.021 1.00 62.52 C ATOM 910 O MET A 55 3.124 5.814 -9.596 1.00 33.42 O ATOM 911 CB MET A 55 4.881 3.122 -9.864 1.00 61.34 C ATOM 912 CG MET A 55 5.607 3.281 -8.531 1.00 25.24 C ATOM 913 SD MET A 55 7.281 2.616 -8.571 1.00 61.33 S ATOM 914 CE MET A 55 6.925 0.865 -8.692 1.00 72.21 C ATOM 0 H MET A 55 3.483 3.381 -11.895 1.00 60.32 H new ATOM 0 HA MET A 55 2.872 2.617 -9.241 1.00 40.33 H new ATOM 0 HB2 MET A 55 5.027 2.105 -10.227 1.00 61.34 H new ATOM 0 HB3 MET A 55 5.335 3.790 -10.596 1.00 61.34 H new ATOM 0 HG2 MET A 55 5.646 4.338 -8.266 1.00 25.24 H new ATOM 0 HG3 MET A 55 5.038 2.777 -7.749 1.00 25.24 H new ATOM 0 HE1 MET A 55 7.854 0.314 -8.834 1.00 72.21 H new ATOM 0 HE2 MET A 55 6.440 0.528 -7.776 1.00 72.21 H new ATOM 0 HE3 MET A 55 6.264 0.686 -9.540 1.00 72.21 H new ATOM 924 N VAL A 56 2.937 4.597 -7.709 1.00 34.32 N ATOM 925 CA VAL A 56 2.711 5.753 -6.835 1.00 42.04 C ATOM 926 C VAL A 56 4.043 6.402 -6.410 1.00 44.11 C ATOM 927 O VAL A 56 4.912 5.739 -5.842 1.00 62.43 O ATOM 928 CB VAL A 56 1.921 5.340 -5.566 1.00 63.53 C ATOM 929 CG1 VAL A 56 1.456 6.568 -4.784 1.00 23.04 C ATOM 930 CG2 VAL A 56 0.740 4.439 -5.934 1.00 32.25 C ATOM 0 H VAL A 56 2.934 3.701 -7.222 1.00 34.32 H new ATOM 0 HA VAL A 56 2.129 6.477 -7.405 1.00 42.04 H new ATOM 0 HB VAL A 56 2.590 4.772 -4.920 1.00 63.53 H new ATOM 0 HG11 VAL A 56 0.905 6.249 -3.899 1.00 23.04 H new ATOM 0 HG12 VAL A 56 2.322 7.155 -4.479 1.00 23.04 H new ATOM 0 HG13 VAL A 56 0.809 7.177 -5.415 1.00 23.04 H new ATOM 0 HG21 VAL A 56 0.199 4.161 -5.030 1.00 32.25 H new ATOM 0 HG22 VAL A 56 0.070 4.974 -6.607 1.00 32.25 H new ATOM 0 HG23 VAL A 56 1.108 3.540 -6.428 1.00 32.25 H new ATOM 940 N GLN A 57 4.203 7.695 -6.695 1.00 22.41 N ATOM 941 CA GLN A 57 5.433 8.418 -6.335 1.00 23.10 C ATOM 942 C GLN A 57 5.344 9.031 -4.929 1.00 31.21 C ATOM 943 O GLN A 57 4.527 9.918 -4.675 1.00 72.33 O ATOM 944 CB GLN A 57 5.729 9.517 -7.363 1.00 12.10 C ATOM 945 CG GLN A 57 5.941 8.992 -8.779 1.00 65.03 C ATOM 946 CD GLN A 57 6.348 10.088 -9.748 1.00 73.14 C ATOM 947 OE1 GLN A 57 5.507 10.739 -10.361 1.00 62.24 O ATOM 948 NE2 GLN A 57 7.637 10.291 -9.908 1.00 20.43 N ATOM 0 H GLN A 57 3.503 8.264 -7.171 1.00 22.41 H new ATOM 0 HA GLN A 57 6.247 7.693 -6.335 1.00 23.10 H new ATOM 0 HB2 GLN A 57 4.903 10.228 -7.369 1.00 12.10 H new ATOM 0 HB3 GLN A 57 6.619 10.064 -7.051 1.00 12.10 H new ATOM 0 HG2 GLN A 57 6.709 8.219 -8.766 1.00 65.03 H new ATOM 0 HG3 GLN A 57 5.022 8.522 -9.131 1.00 65.03 H new ATOM 0 HE21 GLN A 57 8.310 9.733 -9.383 1.00 20.43 H new ATOM 0 HE22 GLN A 57 7.964 11.007 -10.557 1.00 20.43 H new ATOM 957 N PHE A 58 6.204 8.560 -4.026 1.00 12.54 N ATOM 958 CA PHE A 58 6.235 9.048 -2.641 1.00 30.44 C ATOM 959 C PHE A 58 7.211 10.229 -2.496 1.00 41.24 C ATOM 960 O PHE A 58 8.374 10.052 -2.123 1.00 62.24 O ATOM 961 CB PHE A 58 6.641 7.909 -1.690 1.00 1.33 C ATOM 962 CG PHE A 58 5.849 6.640 -1.894 1.00 53.14 C ATOM 963 CD1 PHE A 58 4.602 6.477 -1.308 1.00 13.44 C ATOM 964 CD2 PHE A 58 6.349 5.611 -2.682 1.00 44.22 C ATOM 965 CE1 PHE A 58 3.873 5.320 -1.505 1.00 52.32 C ATOM 966 CE2 PHE A 58 5.624 4.451 -2.879 1.00 61.42 C ATOM 967 CZ PHE A 58 4.384 4.306 -2.290 1.00 74.51 C ATOM 0 H PHE A 58 6.894 7.836 -4.228 1.00 12.54 H new ATOM 0 HA PHE A 58 5.236 9.396 -2.378 1.00 30.44 H new ATOM 0 HB2 PHE A 58 7.700 7.692 -1.828 1.00 1.33 H new ATOM 0 HB3 PHE A 58 6.515 8.244 -0.660 1.00 1.33 H new ATOM 0 HD1 PHE A 58 4.196 7.264 -0.690 1.00 13.44 H new ATOM 0 HD2 PHE A 58 7.318 5.719 -3.147 1.00 44.22 H new ATOM 0 HE1 PHE A 58 2.902 5.209 -1.044 1.00 52.32 H new ATOM 0 HE2 PHE A 58 6.027 3.659 -3.493 1.00 61.42 H new ATOM 0 HZ PHE A 58 3.815 3.401 -2.443 1.00 74.51 H new ATOM 977 N ASN A 59 6.741 11.431 -2.827 1.00 10.13 N ATOM 978 CA ASN A 59 7.581 12.641 -2.776 1.00 21.11 C ATOM 979 C ASN A 59 7.053 13.687 -1.773 1.00 34.30 C ATOM 980 O ASN A 59 7.829 14.351 -1.084 1.00 13.33 O ATOM 981 CB ASN A 59 7.663 13.287 -4.167 1.00 54.42 C ATOM 982 CG ASN A 59 6.307 13.755 -4.667 1.00 63.34 C ATOM 983 OD1 ASN A 59 5.293 13.091 -4.470 1.00 2.44 O ATOM 984 ND2 ASN A 59 6.267 14.926 -5.264 1.00 1.44 N ATOM 0 H ASN A 59 5.783 11.600 -3.134 1.00 10.13 H new ATOM 0 HA ASN A 59 8.568 12.322 -2.443 1.00 21.11 H new ATOM 0 HB2 ASN A 59 8.347 14.135 -4.131 1.00 54.42 H new ATOM 0 HB3 ASN A 59 8.081 12.570 -4.874 1.00 54.42 H new ATOM 0 HD21 ASN A 59 5.375 15.308 -5.579 1.00 1.44 H new ATOM 0 HD22 ASN A 59 7.128 15.452 -5.412 1.00 1.44 H new ATOM 991 N THR A 60 5.731 13.837 -1.716 1.00 10.54 N ATOM 992 CA THR A 60 5.084 14.890 -0.911 1.00 42.21 C ATOM 993 C THR A 60 4.439 14.332 0.363 1.00 43.44 C ATOM 994 O THR A 60 4.329 13.120 0.528 1.00 14.54 O ATOM 995 CB THR A 60 3.992 15.615 -1.738 1.00 0.24 C ATOM 996 OG1 THR A 60 3.223 16.493 -0.900 1.00 5.21 O ATOM 997 CG2 THR A 60 3.060 14.615 -2.415 1.00 24.45 C ATOM 0 H THR A 60 5.075 13.240 -2.220 1.00 10.54 H new ATOM 0 HA THR A 60 5.871 15.589 -0.626 1.00 42.21 H new ATOM 0 HB THR A 60 4.496 16.200 -2.507 1.00 0.24 H new ATOM 0 HG1 THR A 60 2.539 16.944 -1.439 1.00 5.21 H new ATOM 0 HG21 THR A 60 2.304 15.152 -2.988 1.00 24.45 H new ATOM 0 HG22 THR A 60 3.636 13.976 -3.084 1.00 24.45 H new ATOM 0 HG23 THR A 60 2.573 14.001 -1.657 1.00 24.45 H new ATOM 1005 N ASP A 61 3.983 15.224 1.247 1.00 21.42 N ATOM 1006 CA ASP A 61 3.284 14.812 2.472 1.00 12.15 C ATOM 1007 C ASP A 61 1.903 14.221 2.135 1.00 63.41 C ATOM 1008 O ASP A 61 1.300 13.509 2.943 1.00 3.14 O ATOM 1009 CB ASP A 61 3.139 16.006 3.426 1.00 13.42 C ATOM 1010 CG ASP A 61 2.518 15.614 4.759 1.00 65.24 C ATOM 1011 OD1 ASP A 61 3.258 15.173 5.663 1.00 72.42 O ATOM 1012 OD2 ASP A 61 1.284 15.736 4.910 1.00 55.20 O ATOM 0 H ASP A 61 4.084 16.233 1.140 1.00 21.42 H new ATOM 0 HA ASP A 61 3.874 14.040 2.966 1.00 12.15 H new ATOM 0 HB2 ASP A 61 4.120 16.448 3.602 1.00 13.42 H new ATOM 0 HB3 ASP A 61 2.524 16.772 2.954 1.00 13.42 H new ATOM 1017 N ARG A 62 1.426 14.503 0.922 1.00 3.55 N ATOM 1018 CA ARG A 62 0.159 13.946 0.434 1.00 54.15 C ATOM 1019 C ARG A 62 0.274 12.436 0.178 1.00 10.21 C ATOM 1020 O ARG A 62 -0.697 11.700 0.321 1.00 51.31 O ATOM 1021 CB ARG A 62 -0.270 14.650 -0.865 1.00 63.00 C ATOM 1022 CG ARG A 62 -0.743 16.093 -0.685 1.00 15.44 C ATOM 1023 CD ARG A 62 -0.910 16.800 -2.032 1.00 53.52 C ATOM 1024 NE ARG A 62 -1.960 17.822 -2.010 1.00 75.22 N ATOM 1025 CZ ARG A 62 -1.752 19.111 -2.071 1.00 31.51 C ATOM 1026 NH1 ARG A 62 -0.552 19.598 -2.050 1.00 2.02 N ATOM 1027 NH2 ARG A 62 -2.762 19.914 -2.135 1.00 64.11 N ATOM 0 H ARG A 62 1.898 15.115 0.256 1.00 3.55 H new ATOM 0 HA ARG A 62 -0.592 14.112 1.207 1.00 54.15 H new ATOM 0 HB2 ARG A 62 0.569 14.641 -1.561 1.00 63.00 H new ATOM 0 HB3 ARG A 62 -1.072 14.074 -1.326 1.00 63.00 H new ATOM 0 HG2 ARG A 62 -1.692 16.102 -0.148 1.00 15.44 H new ATOM 0 HG3 ARG A 62 -0.025 16.639 -0.073 1.00 15.44 H new ATOM 0 HD2 ARG A 62 0.036 17.263 -2.314 1.00 53.52 H new ATOM 0 HD3 ARG A 62 -1.144 16.061 -2.798 1.00 53.52 H new ATOM 0 HE ARG A 62 -2.927 17.503 -1.942 1.00 75.22 H new ATOM 0 HH11 ARG A 62 0.251 18.973 -1.985 1.00 2.02 H new ATOM 0 HH12 ARG A 62 -0.410 20.607 -2.099 1.00 2.02 H new ATOM 0 HH21 ARG A 62 -3.711 19.540 -2.138 1.00 64.11 H new ATOM 0 HH22 ARG A 62 -2.610 20.922 -2.183 1.00 64.11 H new ATOM 1041 N ILE A 63 1.468 11.980 -0.193 1.00 72.20 N ATOM 1042 CA ILE A 63 1.701 10.556 -0.467 1.00 72.14 C ATOM 1043 C ILE A 63 2.857 10.021 0.388 1.00 11.11 C ATOM 1044 O ILE A 63 3.971 10.538 0.331 1.00 41.10 O ATOM 1045 CB ILE A 63 2.030 10.324 -1.967 1.00 41.42 C ATOM 1046 CG1 ILE A 63 0.895 10.849 -2.865 1.00 5.04 C ATOM 1047 CG2 ILE A 63 2.293 8.845 -2.246 1.00 22.40 C ATOM 1048 CD1 ILE A 63 -0.427 10.127 -2.683 1.00 2.43 C ATOM 0 H ILE A 63 2.291 12.571 -0.312 1.00 72.20 H new ATOM 0 HA ILE A 63 0.785 10.021 -0.215 1.00 72.14 H new ATOM 0 HB ILE A 63 2.937 10.882 -2.200 1.00 41.42 H new ATOM 0 HG12 ILE A 63 0.748 11.910 -2.662 1.00 5.04 H new ATOM 0 HG13 ILE A 63 1.202 10.763 -3.907 1.00 5.04 H new ATOM 0 HG21 ILE A 63 2.521 8.709 -3.303 1.00 22.40 H new ATOM 0 HG22 ILE A 63 3.138 8.506 -1.646 1.00 22.40 H new ATOM 0 HG23 ILE A 63 1.408 8.263 -1.988 1.00 22.40 H new ATOM 0 HD11 ILE A 63 -1.172 10.558 -3.352 1.00 2.43 H new ATOM 0 HD12 ILE A 63 -0.299 9.070 -2.915 1.00 2.43 H new ATOM 0 HD13 ILE A 63 -0.761 10.234 -1.651 1.00 2.43 H new ATOM 1060 N SER A 64 2.604 8.972 1.164 1.00 23.20 N ATOM 1061 CA SER A 64 3.631 8.426 2.066 1.00 70.41 C ATOM 1062 C SER A 64 3.469 6.920 2.283 1.00 54.12 C ATOM 1063 O SER A 64 2.368 6.377 2.186 1.00 0.41 O ATOM 1064 CB SER A 64 3.587 9.135 3.428 1.00 64.41 C ATOM 1065 OG SER A 64 3.753 10.540 3.298 1.00 14.42 O ATOM 0 H SER A 64 1.710 8.483 1.192 1.00 23.20 H new ATOM 0 HA SER A 64 4.593 8.601 1.585 1.00 70.41 H new ATOM 0 HB2 SER A 64 2.635 8.925 3.916 1.00 64.41 H new ATOM 0 HB3 SER A 64 4.370 8.735 4.072 1.00 64.41 H new ATOM 0 HG SER A 64 3.718 10.957 4.184 1.00 14.42 H new ATOM 1071 N LEU A 65 4.578 6.253 2.586 1.00 72.10 N ATOM 1072 CA LEU A 65 4.577 4.817 2.885 1.00 73.11 C ATOM 1073 C LEU A 65 5.584 4.496 4.000 1.00 73.25 C ATOM 1074 O LEU A 65 6.739 4.920 3.941 1.00 40.42 O ATOM 1075 CB LEU A 65 4.934 4.018 1.622 1.00 14.54 C ATOM 1076 CG LEU A 65 4.998 2.489 1.796 1.00 21.34 C ATOM 1077 CD1 LEU A 65 3.614 1.914 2.084 1.00 0.35 C ATOM 1078 CD2 LEU A 65 5.619 1.832 0.564 1.00 60.11 C ATOM 0 H LEU A 65 5.500 6.686 2.632 1.00 72.10 H new ATOM 0 HA LEU A 65 3.579 4.536 3.222 1.00 73.11 H new ATOM 0 HB2 LEU A 65 4.200 4.247 0.850 1.00 14.54 H new ATOM 0 HB3 LEU A 65 5.900 4.365 1.256 1.00 14.54 H new ATOM 0 HG LEU A 65 5.634 2.271 2.654 1.00 21.34 H new ATOM 0 HD11 LEU A 65 3.687 0.833 2.203 1.00 0.35 H new ATOM 0 HD12 LEU A 65 3.221 2.354 3.000 1.00 0.35 H new ATOM 0 HD13 LEU A 65 2.945 2.144 1.255 1.00 0.35 H new ATOM 0 HD21 LEU A 65 5.655 0.752 0.707 1.00 60.11 H new ATOM 0 HD22 LEU A 65 5.015 2.062 -0.314 1.00 60.11 H new ATOM 0 HD23 LEU A 65 6.630 2.213 0.419 1.00 60.11 H new ATOM 1090 N TYR A 66 5.156 3.756 5.018 1.00 2.02 N ATOM 1091 CA TYR A 66 6.080 3.316 6.069 1.00 51.54 C ATOM 1092 C TYR A 66 5.809 1.864 6.477 1.00 14.03 C ATOM 1093 O TYR A 66 4.663 1.411 6.497 1.00 74.45 O ATOM 1094 CB TYR A 66 6.028 4.252 7.292 1.00 73.53 C ATOM 1095 CG TYR A 66 4.716 4.257 8.063 1.00 64.41 C ATOM 1096 CD1 TYR A 66 3.691 5.140 7.732 1.00 33.22 C ATOM 1097 CD2 TYR A 66 4.514 3.396 9.138 1.00 20.44 C ATOM 1098 CE1 TYR A 66 2.508 5.160 8.446 1.00 12.35 C ATOM 1099 CE2 TYR A 66 3.335 3.414 9.858 1.00 13.31 C ATOM 1100 CZ TYR A 66 2.334 4.298 9.510 1.00 75.21 C ATOM 1101 OH TYR A 66 1.155 4.319 10.227 1.00 64.23 O ATOM 0 H TYR A 66 4.191 3.450 5.141 1.00 2.02 H new ATOM 0 HA TYR A 66 7.088 3.364 5.657 1.00 51.54 H new ATOM 0 HB2 TYR A 66 6.829 3.971 7.976 1.00 73.53 H new ATOM 0 HB3 TYR A 66 6.236 5.268 6.958 1.00 73.53 H new ATOM 0 HD1 TYR A 66 3.823 5.820 6.904 1.00 33.22 H new ATOM 0 HD2 TYR A 66 5.293 2.701 9.414 1.00 20.44 H new ATOM 0 HE1 TYR A 66 1.722 5.848 8.172 1.00 12.35 H new ATOM 0 HE2 TYR A 66 3.197 2.739 10.690 1.00 13.31 H new ATOM 0 HH TYR A 66 1.195 3.650 10.942 1.00 64.23 H new ATOM 1111 N GLN A 67 6.879 1.138 6.781 1.00 71.14 N ATOM 1112 CA GLN A 67 6.778 -0.270 7.175 1.00 74.01 C ATOM 1113 C GLN A 67 7.481 -0.509 8.520 1.00 74.14 C ATOM 1114 O GLN A 67 8.615 -0.068 8.732 1.00 31.02 O ATOM 1115 CB GLN A 67 7.377 -1.165 6.074 1.00 74.32 C ATOM 1116 CG GLN A 67 8.866 -0.933 5.811 1.00 74.00 C ATOM 1117 CD GLN A 67 9.354 -1.596 4.530 1.00 51.22 C ATOM 1118 OE1 GLN A 67 9.374 -0.982 3.466 1.00 62.45 O ATOM 1119 NE2 GLN A 67 9.731 -2.856 4.612 1.00 0.42 N ATOM 0 H GLN A 67 7.833 1.500 6.763 1.00 71.14 H new ATOM 0 HA GLN A 67 5.726 -0.527 7.299 1.00 74.01 H new ATOM 0 HB2 GLN A 67 7.228 -2.209 6.350 1.00 74.32 H new ATOM 0 HB3 GLN A 67 6.827 -0.998 5.148 1.00 74.32 H new ATOM 0 HG2 GLN A 67 9.057 0.139 5.754 1.00 74.00 H new ATOM 0 HG3 GLN A 67 9.442 -1.315 6.654 1.00 74.00 H new ATOM 0 HE21 GLN A 67 9.703 -3.339 5.510 1.00 0.42 H new ATOM 0 HE22 GLN A 67 10.051 -3.348 3.778 1.00 0.42 H new ATOM 1128 N ASP A 68 6.798 -1.187 9.435 1.00 74.24 N ATOM 1129 CA ASP A 68 7.347 -1.463 10.766 1.00 35.13 C ATOM 1130 C ASP A 68 8.084 -2.820 10.797 1.00 41.01 C ATOM 1131 O ASP A 68 7.989 -3.613 9.859 1.00 13.11 O ATOM 1132 CB ASP A 68 6.218 -1.394 11.820 1.00 12.32 C ATOM 1133 CG ASP A 68 6.026 -2.696 12.570 1.00 14.42 C ATOM 1134 OD1 ASP A 68 5.354 -3.591 12.033 1.00 24.12 O ATOM 1135 OD2 ASP A 68 6.579 -2.840 13.684 1.00 44.23 O ATOM 0 H ASP A 68 5.860 -1.558 9.283 1.00 74.24 H new ATOM 0 HA ASP A 68 8.088 -0.701 11.009 1.00 35.13 H new ATOM 0 HB2 ASP A 68 6.442 -0.601 12.533 1.00 12.32 H new ATOM 0 HB3 ASP A 68 5.284 -1.125 11.327 1.00 12.32 H new ATOM 1140 N ASN A 69 8.804 -3.080 11.890 1.00 44.45 N ATOM 1141 CA ASN A 69 9.646 -4.276 12.011 1.00 1.02 C ATOM 1142 C ASN A 69 8.834 -5.592 12.027 1.00 34.51 C ATOM 1143 O ASN A 69 9.287 -6.606 11.492 1.00 62.23 O ATOM 1144 CB ASN A 69 10.506 -4.189 13.278 1.00 60.41 C ATOM 1145 CG ASN A 69 11.592 -5.252 13.325 1.00 25.54 C ATOM 1146 OD1 ASN A 69 11.893 -5.802 14.381 1.00 54.44 O ATOM 1147 ND2 ASN A 69 12.216 -5.522 12.194 1.00 44.25 N ATOM 0 H ASN A 69 8.822 -2.475 12.711 1.00 44.45 H new ATOM 0 HA ASN A 69 10.279 -4.300 11.124 1.00 1.02 H new ATOM 0 HB2 ASN A 69 10.966 -3.203 13.332 1.00 60.41 H new ATOM 0 HB3 ASN A 69 9.866 -4.291 14.154 1.00 60.41 H new ATOM 0 HD21 ASN A 69 12.973 -6.205 12.180 1.00 44.25 H new ATOM 0 HD22 ASN A 69 11.941 -5.047 11.334 1.00 44.25 H new ATOM 1154 N THR A 70 7.646 -5.593 12.646 1.00 43.45 N ATOM 1155 CA THR A 70 6.829 -6.823 12.706 1.00 43.00 C ATOM 1156 C THR A 70 6.002 -7.019 11.426 1.00 1.20 C ATOM 1157 O THR A 70 5.275 -8.010 11.289 1.00 11.43 O ATOM 1158 CB THR A 70 5.893 -6.883 13.950 1.00 50.22 C ATOM 1159 OG1 THR A 70 5.255 -8.171 14.027 1.00 73.01 O ATOM 1160 CG2 THR A 70 4.820 -5.803 13.917 1.00 20.45 C ATOM 0 H THR A 70 7.233 -4.780 13.103 1.00 43.45 H new ATOM 0 HA THR A 70 7.546 -7.638 12.798 1.00 43.00 H new ATOM 0 HB THR A 70 6.519 -6.715 14.827 1.00 50.22 H new ATOM 0 HG1 THR A 70 5.143 -8.535 13.124 1.00 73.01 H new ATOM 0 HG21 THR A 70 4.193 -5.886 14.805 1.00 20.45 H new ATOM 0 HG22 THR A 70 5.293 -4.821 13.897 1.00 20.45 H new ATOM 0 HG23 THR A 70 4.205 -5.928 13.026 1.00 20.45 H new ATOM 1168 N GLY A 71 6.111 -6.070 10.495 1.00 21.12 N ATOM 1169 CA GLY A 71 5.564 -6.261 9.155 1.00 70.42 C ATOM 1170 C GLY A 71 4.382 -5.361 8.804 1.00 41.03 C ATOM 1171 O GLY A 71 3.778 -5.530 7.746 1.00 60.42 O ATOM 0 H GLY A 71 6.569 -5.171 10.644 1.00 21.12 H new ATOM 0 HA2 GLY A 71 6.358 -6.092 8.428 1.00 70.42 H new ATOM 0 HA3 GLY A 71 5.253 -7.300 9.051 1.00 70.42 H new ATOM 1175 N ARG A 72 4.038 -4.405 9.661 1.00 60.33 N ATOM 1176 CA ARG A 72 2.909 -3.514 9.372 1.00 10.34 C ATOM 1177 C ARG A 72 3.280 -2.471 8.306 1.00 34.53 C ATOM 1178 O ARG A 72 4.090 -1.572 8.542 1.00 33.44 O ATOM 1179 CB ARG A 72 2.394 -2.823 10.643 1.00 32.43 C ATOM 1180 CG ARG A 72 1.167 -1.943 10.392 1.00 23.24 C ATOM 1181 CD ARG A 72 0.502 -1.486 11.687 1.00 30.13 C ATOM 1182 NE ARG A 72 -0.014 -2.617 12.461 1.00 53.34 N ATOM 1183 CZ ARG A 72 -1.284 -2.862 12.666 1.00 3.24 C ATOM 1184 NH1 ARG A 72 -2.203 -2.089 12.173 1.00 12.13 N ATOM 1185 NH2 ARG A 72 -1.632 -3.895 13.362 1.00 75.40 N ATOM 0 H ARG A 72 4.512 -4.225 10.546 1.00 60.33 H new ATOM 0 HA ARG A 72 2.104 -4.135 8.978 1.00 10.34 H new ATOM 0 HB2 ARG A 72 2.145 -3.581 11.386 1.00 32.43 H new ATOM 0 HB3 ARG A 72 3.192 -2.212 11.066 1.00 32.43 H new ATOM 0 HG2 ARG A 72 1.463 -1.069 9.811 1.00 23.24 H new ATOM 0 HG3 ARG A 72 0.444 -2.495 9.791 1.00 23.24 H new ATOM 0 HD2 ARG A 72 1.222 -0.931 12.289 1.00 30.13 H new ATOM 0 HD3 ARG A 72 -0.314 -0.802 11.455 1.00 30.13 H new ATOM 0 HE ARG A 72 0.664 -3.260 12.870 1.00 53.34 H new ATOM 0 HH11 ARG A 72 -1.941 -1.276 11.616 1.00 12.13 H new ATOM 0 HH12 ARG A 72 -3.188 -2.295 12.343 1.00 12.13 H new ATOM 0 HH21 ARG A 72 -0.919 -4.514 13.748 1.00 75.40 H new ATOM 0 HH22 ARG A 72 -2.620 -4.091 13.525 1.00 75.40 H new ATOM 1199 N VAL A 73 2.684 -2.619 7.128 1.00 73.50 N ATOM 1200 CA VAL A 73 2.913 -1.709 6.004 1.00 4.13 C ATOM 1201 C VAL A 73 1.719 -0.766 5.809 1.00 15.32 C ATOM 1202 O VAL A 73 0.640 -1.206 5.416 1.00 24.13 O ATOM 1203 CB VAL A 73 3.139 -2.503 4.695 1.00 44.10 C ATOM 1204 CG1 VAL A 73 3.366 -1.557 3.518 1.00 45.31 C ATOM 1205 CG2 VAL A 73 4.307 -3.480 4.849 1.00 21.24 C ATOM 0 H VAL A 73 2.028 -3.372 6.922 1.00 73.50 H new ATOM 0 HA VAL A 73 3.802 -1.123 6.236 1.00 4.13 H new ATOM 0 HB VAL A 73 2.240 -3.083 4.489 1.00 44.10 H new ATOM 0 HG11 VAL A 73 3.523 -2.138 2.609 1.00 45.31 H new ATOM 0 HG12 VAL A 73 2.493 -0.916 3.393 1.00 45.31 H new ATOM 0 HG13 VAL A 73 4.244 -0.941 3.711 1.00 45.31 H new ATOM 0 HG21 VAL A 73 4.448 -4.028 3.917 1.00 21.24 H new ATOM 0 HG22 VAL A 73 5.216 -2.926 5.086 1.00 21.24 H new ATOM 0 HG23 VAL A 73 4.090 -4.183 5.654 1.00 21.24 H new ATOM 1215 N THR A 74 1.915 0.526 6.074 1.00 50.11 N ATOM 1216 CA THR A 74 0.826 1.512 5.969 1.00 2.41 C ATOM 1217 C THR A 74 1.041 2.502 4.812 1.00 10.44 C ATOM 1218 O THR A 74 2.061 3.194 4.745 1.00 13.43 O ATOM 1219 CB THR A 74 0.656 2.323 7.278 1.00 63.51 C ATOM 1220 OG1 THR A 74 0.374 1.447 8.382 1.00 22.44 O ATOM 1221 CG2 THR A 74 -0.465 3.354 7.151 1.00 15.12 C ATOM 0 H THR A 74 2.811 0.918 6.362 1.00 50.11 H new ATOM 0 HA THR A 74 -0.075 0.929 5.777 1.00 2.41 H new ATOM 0 HB THR A 74 1.594 2.847 7.461 1.00 63.51 H new ATOM 0 HG1 THR A 74 -0.549 1.585 8.682 1.00 22.44 H new ATOM 0 HG21 THR A 74 -0.559 3.906 8.086 1.00 15.12 H new ATOM 0 HG22 THR A 74 -0.232 4.047 6.342 1.00 15.12 H new ATOM 0 HG23 THR A 74 -1.404 2.845 6.934 1.00 15.12 H new ATOM 1229 N LEU A 75 0.065 2.560 3.910 1.00 30.34 N ATOM 1230 CA LEU A 75 0.046 3.536 2.816 1.00 23.24 C ATOM 1231 C LEU A 75 -0.825 4.748 3.190 1.00 35.24 C ATOM 1232 O LEU A 75 -1.938 4.590 3.702 1.00 13.50 O ATOM 1233 CB LEU A 75 -0.503 2.877 1.539 1.00 60.40 C ATOM 1234 CG LEU A 75 -0.627 3.802 0.314 1.00 62.44 C ATOM 1235 CD1 LEU A 75 0.747 4.273 -0.153 1.00 43.51 C ATOM 1236 CD2 LEU A 75 -1.379 3.103 -0.818 1.00 40.30 C ATOM 0 H LEU A 75 -0.738 1.932 3.914 1.00 30.34 H new ATOM 0 HA LEU A 75 1.065 3.879 2.638 1.00 23.24 H new ATOM 0 HB2 LEU A 75 0.144 2.040 1.276 1.00 60.40 H new ATOM 0 HB3 LEU A 75 -1.486 2.462 1.760 1.00 60.40 H new ATOM 0 HG LEU A 75 -1.201 4.681 0.609 1.00 62.44 H new ATOM 0 HD11 LEU A 75 0.633 4.925 -1.019 1.00 43.51 H new ATOM 0 HD12 LEU A 75 1.237 4.821 0.652 1.00 43.51 H new ATOM 0 HD13 LEU A 75 1.354 3.410 -0.426 1.00 43.51 H new ATOM 0 HD21 LEU A 75 -1.455 3.774 -1.673 1.00 40.30 H new ATOM 0 HD22 LEU A 75 -0.840 2.202 -1.111 1.00 40.30 H new ATOM 0 HD23 LEU A 75 -2.379 2.833 -0.478 1.00 40.30 H new ATOM 1248 N LEU A 76 -0.318 5.952 2.932 1.00 51.34 N ATOM 1249 CA LEU A 76 -1.037 7.191 3.263 1.00 64.54 C ATOM 1250 C LEU A 76 -1.292 8.047 2.013 1.00 11.00 C ATOM 1251 O LEU A 76 -0.351 8.470 1.337 1.00 73.14 O ATOM 1252 CB LEU A 76 -0.237 8.008 4.290 1.00 63.13 C ATOM 1253 CG LEU A 76 0.027 7.303 5.631 1.00 70.21 C ATOM 1254 CD1 LEU A 76 0.893 8.176 6.538 1.00 34.44 C ATOM 1255 CD2 LEU A 76 -1.289 6.944 6.323 1.00 2.10 C ATOM 0 H LEU A 76 0.591 6.101 2.493 1.00 51.34 H new ATOM 0 HA LEU A 76 -2.001 6.910 3.687 1.00 64.54 H new ATOM 0 HB2 LEU A 76 0.721 8.279 3.847 1.00 63.13 H new ATOM 0 HB3 LEU A 76 -0.772 8.937 4.486 1.00 63.13 H new ATOM 0 HG LEU A 76 0.568 6.379 5.429 1.00 70.21 H new ATOM 0 HD11 LEU A 76 1.068 7.659 7.481 1.00 34.44 H new ATOM 0 HD12 LEU A 76 1.847 8.373 6.050 1.00 34.44 H new ATOM 0 HD13 LEU A 76 0.382 9.119 6.731 1.00 34.44 H new ATOM 0 HD21 LEU A 76 -1.078 6.446 7.270 1.00 2.10 H new ATOM 0 HD22 LEU A 76 -1.861 7.853 6.510 1.00 2.10 H new ATOM 0 HD23 LEU A 76 -1.866 6.277 5.683 1.00 2.10 H new ATOM 1267 N ILE A 77 -2.565 8.300 1.717 1.00 52.50 N ATOM 1268 CA ILE A 77 -2.952 9.133 0.570 1.00 13.15 C ATOM 1269 C ILE A 77 -3.853 10.296 1.015 1.00 73.13 C ATOM 1270 O ILE A 77 -4.967 10.083 1.493 1.00 12.01 O ATOM 1271 CB ILE A 77 -3.689 8.292 -0.504 1.00 51.41 C ATOM 1272 CG1 ILE A 77 -2.809 7.112 -0.957 1.00 34.11 C ATOM 1273 CG2 ILE A 77 -4.087 9.162 -1.698 1.00 42.45 C ATOM 1274 CD1 ILE A 77 -3.505 6.147 -1.891 1.00 50.15 C ATOM 0 H ILE A 77 -3.353 7.940 2.256 1.00 52.50 H new ATOM 0 HA ILE A 77 -2.037 9.537 0.137 1.00 13.15 H new ATOM 0 HB ILE A 77 -4.601 7.892 -0.061 1.00 51.41 H new ATOM 0 HG12 ILE A 77 -1.921 7.504 -1.452 1.00 34.11 H new ATOM 0 HG13 ILE A 77 -2.469 6.567 -0.076 1.00 34.11 H new ATOM 0 HG21 ILE A 77 -4.602 8.550 -2.438 1.00 42.45 H new ATOM 0 HG22 ILE A 77 -4.749 9.960 -1.362 1.00 42.45 H new ATOM 0 HG23 ILE A 77 -3.193 9.597 -2.145 1.00 42.45 H new ATOM 0 HD11 ILE A 77 -2.819 5.345 -2.164 1.00 50.15 H new ATOM 0 HD12 ILE A 77 -4.377 5.724 -1.393 1.00 50.15 H new ATOM 0 HD13 ILE A 77 -3.821 6.675 -2.790 1.00 50.15 H new ATOM 1286 N LYS A 78 -3.361 11.524 0.858 1.00 70.23 N ATOM 1287 CA LYS A 78 -4.078 12.725 1.311 1.00 73.12 C ATOM 1288 C LYS A 78 -4.537 13.604 0.135 1.00 72.55 C ATOM 1289 O LYS A 78 -3.914 13.608 -0.930 1.00 72.55 O ATOM 1290 CB LYS A 78 -3.177 13.559 2.231 1.00 73.25 C ATOM 1291 CG LYS A 78 -2.575 12.783 3.398 1.00 74.12 C ATOM 1292 CD LYS A 78 -1.715 13.683 4.279 1.00 65.40 C ATOM 1293 CE LYS A 78 -1.024 12.902 5.389 1.00 30.42 C ATOM 1294 NZ LYS A 78 -0.166 13.779 6.224 1.00 21.11 N ATOM 0 H LYS A 78 -2.462 11.719 0.417 1.00 70.23 H new ATOM 0 HA LYS A 78 -4.963 12.385 1.850 1.00 73.12 H new ATOM 0 HB2 LYS A 78 -2.368 13.985 1.638 1.00 73.25 H new ATOM 0 HB3 LYS A 78 -3.756 14.394 2.626 1.00 73.25 H new ATOM 0 HG2 LYS A 78 -3.374 12.343 3.995 1.00 74.12 H new ATOM 0 HG3 LYS A 78 -1.971 11.960 3.017 1.00 74.12 H new ATOM 0 HD2 LYS A 78 -0.965 14.181 3.665 1.00 65.40 H new ATOM 0 HD3 LYS A 78 -2.337 14.463 4.718 1.00 65.40 H new ATOM 0 HE2 LYS A 78 -1.774 12.421 6.017 1.00 30.42 H new ATOM 0 HE3 LYS A 78 -0.418 12.108 4.953 1.00 30.42 H new ATOM 0 HZ1 LYS A 78 0.379 13.197 6.892 1.00 21.11 H new ATOM 0 HZ2 LYS A 78 0.488 14.308 5.613 1.00 21.11 H new ATOM 0 HZ3 LYS A 78 -0.763 14.447 6.753 1.00 21.11 H new ATOM 1308 N ASP A 79 -5.629 14.349 0.346 1.00 11.11 N ATOM 1309 CA ASP A 79 -6.109 15.345 -0.625 1.00 61.32 C ATOM 1310 C ASP A 79 -6.506 14.674 -1.957 1.00 63.10 C ATOM 1311 O ASP A 79 -6.506 15.298 -3.022 1.00 21.22 O ATOM 1312 CB ASP A 79 -5.019 16.415 -0.827 1.00 1.21 C ATOM 1313 CG ASP A 79 -5.545 17.706 -1.426 1.00 74.42 C ATOM 1314 OD1 ASP A 79 -6.548 18.244 -0.906 1.00 64.23 O ATOM 1315 OD2 ASP A 79 -4.938 18.214 -2.387 1.00 1.42 O ATOM 0 H ASP A 79 -6.202 14.281 1.187 1.00 11.11 H new ATOM 0 HA ASP A 79 -7.007 15.827 -0.238 1.00 61.32 H new ATOM 0 HB2 ASP A 79 -4.552 16.633 0.133 1.00 1.21 H new ATOM 0 HB3 ASP A 79 -4.241 16.013 -1.476 1.00 1.21 H new ATOM 1320 N VAL A 80 -6.884 13.402 -1.861 1.00 75.31 N ATOM 1321 CA VAL A 80 -7.207 12.577 -3.032 1.00 32.34 C ATOM 1322 C VAL A 80 -8.557 12.979 -3.665 1.00 74.54 C ATOM 1323 O VAL A 80 -9.498 13.353 -2.960 1.00 41.21 O ATOM 1324 CB VAL A 80 -7.241 11.074 -2.629 1.00 1.12 C ATOM 1325 CG1 VAL A 80 -8.474 10.759 -1.789 1.00 15.12 C ATOM 1326 CG2 VAL A 80 -7.179 10.162 -3.850 1.00 24.34 C ATOM 0 H VAL A 80 -6.976 12.910 -0.972 1.00 75.31 H new ATOM 0 HA VAL A 80 -6.428 12.742 -3.777 1.00 32.34 H new ATOM 0 HB VAL A 80 -6.354 10.883 -2.025 1.00 1.12 H new ATOM 0 HG11 VAL A 80 -8.472 9.702 -1.522 1.00 15.12 H new ATOM 0 HG12 VAL A 80 -8.460 11.363 -0.882 1.00 15.12 H new ATOM 0 HG13 VAL A 80 -9.373 10.986 -2.362 1.00 15.12 H new ATOM 0 HG21 VAL A 80 -7.205 9.121 -3.528 1.00 24.34 H new ATOM 0 HG22 VAL A 80 -8.032 10.363 -4.498 1.00 24.34 H new ATOM 0 HG23 VAL A 80 -6.255 10.350 -4.398 1.00 24.34 H new ATOM 1336 N ASN A 81 -8.646 12.918 -4.995 1.00 72.31 N ATOM 1337 CA ASN A 81 -9.902 13.222 -5.702 1.00 40.25 C ATOM 1338 C ASN A 81 -10.354 12.055 -6.599 1.00 2.14 C ATOM 1339 O ASN A 81 -9.658 11.047 -6.702 1.00 4.04 O ATOM 1340 CB ASN A 81 -9.751 14.525 -6.507 1.00 13.01 C ATOM 1341 CG ASN A 81 -8.526 14.557 -7.412 1.00 73.22 C ATOM 1342 OD1 ASN A 81 -7.800 15.547 -7.443 1.00 2.30 O ATOM 1343 ND2 ASN A 81 -8.306 13.516 -8.193 1.00 61.24 N ATOM 0 H ASN A 81 -7.870 12.663 -5.606 1.00 72.31 H new ATOM 0 HA ASN A 81 -10.685 13.362 -4.957 1.00 40.25 H new ATOM 0 HB2 ASN A 81 -10.643 14.669 -7.116 1.00 13.01 H new ATOM 0 HB3 ASN A 81 -9.699 15.364 -5.813 1.00 13.01 H new ATOM 0 HD21 ASN A 81 -7.518 13.522 -8.841 1.00 61.24 H new ATOM 0 HD22 ASN A 81 -8.924 12.705 -8.148 1.00 61.24 H new ATOM 1350 N LYS A 82 -11.519 12.202 -7.247 1.00 42.44 N ATOM 1351 CA LYS A 82 -12.066 11.165 -8.150 1.00 72.52 C ATOM 1352 C LYS A 82 -11.003 10.582 -9.093 1.00 44.02 C ATOM 1353 O LYS A 82 -10.814 9.368 -9.159 1.00 4.13 O ATOM 1354 CB LYS A 82 -13.218 11.734 -8.995 1.00 60.53 C ATOM 1355 CG LYS A 82 -14.510 11.994 -8.229 1.00 11.22 C ATOM 1356 CD LYS A 82 -15.236 10.690 -7.901 1.00 64.21 C ATOM 1357 CE LYS A 82 -16.707 10.923 -7.577 1.00 45.21 C ATOM 1358 NZ LYS A 82 -17.445 9.647 -7.373 1.00 60.30 N ATOM 0 H LYS A 82 -12.107 13.031 -7.165 1.00 42.44 H new ATOM 0 HA LYS A 82 -12.429 10.363 -7.508 1.00 72.52 H new ATOM 0 HB2 LYS A 82 -12.888 12.668 -9.450 1.00 60.53 H new ATOM 0 HB3 LYS A 82 -13.429 11.040 -9.809 1.00 60.53 H new ATOM 0 HG2 LYS A 82 -14.286 12.530 -7.306 1.00 11.22 H new ATOM 0 HG3 LYS A 82 -15.162 12.637 -8.820 1.00 11.22 H new ATOM 0 HD2 LYS A 82 -15.155 10.007 -8.746 1.00 64.21 H new ATOM 0 HD3 LYS A 82 -14.750 10.207 -7.053 1.00 64.21 H new ATOM 0 HE2 LYS A 82 -16.787 11.535 -6.679 1.00 45.21 H new ATOM 0 HE3 LYS A 82 -17.172 11.484 -8.388 1.00 45.21 H new ATOM 0 HZ1 LYS A 82 -18.318 9.832 -6.838 1.00 60.30 H new ATOM 0 HZ2 LYS A 82 -17.686 9.234 -8.297 1.00 60.30 H new ATOM 0 HZ3 LYS A 82 -16.848 8.982 -6.841 1.00 60.30 H new ATOM 1372 N LYS A 83 -10.310 11.459 -9.811 1.00 51.25 N ATOM 1373 CA LYS A 83 -9.311 11.040 -10.805 1.00 73.22 C ATOM 1374 C LYS A 83 -8.128 10.275 -10.183 1.00 22.11 C ATOM 1375 O LYS A 83 -7.310 9.698 -10.904 1.00 53.44 O ATOM 1376 CB LYS A 83 -8.803 12.266 -11.573 1.00 32.44 C ATOM 1377 CG LYS A 83 -9.864 12.921 -12.450 1.00 43.10 C ATOM 1378 CD LYS A 83 -10.384 11.952 -13.509 1.00 62.22 C ATOM 1379 CE LYS A 83 -11.342 12.624 -14.487 1.00 44.24 C ATOM 1380 NZ LYS A 83 -10.720 13.790 -15.173 1.00 64.44 N ATOM 0 H LYS A 83 -10.418 12.470 -9.727 1.00 51.25 H new ATOM 0 HA LYS A 83 -9.805 10.348 -11.487 1.00 73.22 H new ATOM 0 HB2 LYS A 83 -8.429 13.001 -10.860 1.00 32.44 H new ATOM 0 HB3 LYS A 83 -7.960 11.969 -12.197 1.00 32.44 H new ATOM 0 HG2 LYS A 83 -10.692 13.263 -11.829 1.00 43.10 H new ATOM 0 HG3 LYS A 83 -9.444 13.802 -12.935 1.00 43.10 H new ATOM 0 HD2 LYS A 83 -9.542 11.532 -14.059 1.00 62.22 H new ATOM 0 HD3 LYS A 83 -10.892 11.121 -13.020 1.00 62.22 H new ATOM 0 HE2 LYS A 83 -11.667 11.897 -15.232 1.00 44.24 H new ATOM 0 HE3 LYS A 83 -12.233 12.952 -13.952 1.00 44.24 H new ATOM 0 HZ1 LYS A 83 -11.288 14.046 -16.006 1.00 64.44 H new ATOM 0 HZ2 LYS A 83 -10.681 14.597 -14.519 1.00 64.44 H new ATOM 0 HZ3 LYS A 83 -9.756 13.542 -15.474 1.00 64.44 H new ATOM 1394 N ASP A 84 -8.040 10.264 -8.856 1.00 43.40 N ATOM 1395 CA ASP A 84 -6.957 9.563 -8.160 1.00 51.40 C ATOM 1396 C ASP A 84 -7.381 8.173 -7.660 1.00 74.15 C ATOM 1397 O ASP A 84 -6.567 7.444 -7.089 1.00 40.34 O ATOM 1398 CB ASP A 84 -6.455 10.399 -6.980 1.00 43.32 C ATOM 1399 CG ASP A 84 -5.695 11.634 -7.416 1.00 75.05 C ATOM 1400 OD1 ASP A 84 -4.776 11.505 -8.251 1.00 50.35 O ATOM 1401 OD2 ASP A 84 -5.983 12.732 -6.902 1.00 12.51 O ATOM 0 H ASP A 84 -8.704 10.731 -8.238 1.00 43.40 H new ATOM 0 HA ASP A 84 -6.155 9.423 -8.885 1.00 51.40 H new ATOM 0 HB2 ASP A 84 -7.304 10.699 -6.366 1.00 43.32 H new ATOM 0 HB3 ASP A 84 -5.810 9.783 -6.353 1.00 43.32 H new ATOM 1406 N ALA A 85 -8.643 7.803 -7.867 1.00 0.44 N ATOM 1407 CA ALA A 85 -9.142 6.496 -7.419 1.00 10.44 C ATOM 1408 C ALA A 85 -8.790 5.380 -8.417 1.00 43.24 C ATOM 1409 O ALA A 85 -8.783 5.595 -9.632 1.00 75.12 O ATOM 1410 CB ALA A 85 -10.651 6.559 -7.215 1.00 21.52 C ATOM 0 H ALA A 85 -9.338 8.382 -8.338 1.00 0.44 H new ATOM 0 HA ALA A 85 -8.656 6.259 -6.473 1.00 10.44 H new ATOM 0 HB1 ALA A 85 -11.014 5.586 -6.883 1.00 21.52 H new ATOM 0 HB2 ALA A 85 -10.885 7.311 -6.461 1.00 21.52 H new ATOM 0 HB3 ALA A 85 -11.134 6.825 -8.155 1.00 21.52 H new ATOM 1416 N GLY A 86 -8.509 4.184 -7.899 1.00 13.44 N ATOM 1417 CA GLY A 86 -8.138 3.062 -8.756 1.00 61.45 C ATOM 1418 C GLY A 86 -7.833 1.782 -7.980 1.00 62.31 C ATOM 1419 O GLY A 86 -8.035 1.715 -6.765 1.00 31.15 O ATOM 0 H GLY A 86 -8.531 3.970 -6.902 1.00 13.44 H new ATOM 0 HA2 GLY A 86 -8.948 2.868 -9.459 1.00 61.45 H new ATOM 0 HA3 GLY A 86 -7.264 3.338 -9.345 1.00 61.45 H new ATOM 1423 N TRP A 87 -7.343 0.765 -8.688 1.00 63.02 N ATOM 1424 CA TRP A 87 -6.851 -0.462 -8.049 1.00 12.54 C ATOM 1425 C TRP A 87 -5.335 -0.394 -7.808 1.00 30.21 C ATOM 1426 O TRP A 87 -4.555 -0.107 -8.722 1.00 2.32 O ATOM 1427 CB TRP A 87 -7.197 -1.699 -8.895 1.00 22.22 C ATOM 1428 CG TRP A 87 -8.629 -2.134 -8.763 1.00 74.21 C ATOM 1429 CD1 TRP A 87 -9.717 -1.577 -9.365 1.00 54.44 C ATOM 1430 CD2 TRP A 87 -9.124 -3.225 -7.973 1.00 45.21 C ATOM 1431 NE1 TRP A 87 -10.857 -2.249 -8.995 1.00 61.24 N ATOM 1432 CE2 TRP A 87 -10.519 -3.266 -8.144 1.00 10.23 C ATOM 1433 CE3 TRP A 87 -8.519 -4.171 -7.137 1.00 54.41 C ATOM 1434 CZ2 TRP A 87 -11.322 -4.213 -7.512 1.00 65.55 C ATOM 1435 CZ3 TRP A 87 -9.316 -5.112 -6.511 1.00 12.14 C ATOM 1436 CH2 TRP A 87 -10.705 -5.128 -6.701 1.00 4.53 C ATOM 0 H TRP A 87 -7.275 0.764 -9.706 1.00 63.02 H new ATOM 0 HA TRP A 87 -7.348 -0.550 -7.083 1.00 12.54 H new ATOM 0 HB2 TRP A 87 -6.986 -1.483 -9.942 1.00 22.22 H new ATOM 0 HB3 TRP A 87 -6.547 -2.523 -8.602 1.00 22.22 H new ATOM 0 HD1 TRP A 87 -9.688 -0.731 -10.035 1.00 54.44 H new ATOM 0 HE1 TRP A 87 -11.803 -2.026 -9.305 1.00 61.24 H new ATOM 0 HE3 TRP A 87 -7.450 -4.166 -6.984 1.00 54.41 H new ATOM 0 HZ2 TRP A 87 -12.392 -4.225 -7.656 1.00 65.55 H new ATOM 0 HZ3 TRP A 87 -8.860 -5.847 -5.864 1.00 12.14 H new ATOM 0 HH2 TRP A 87 -11.300 -5.876 -6.198 1.00 4.53 H new ATOM 1447 N TYR A 88 -4.936 -0.645 -6.565 1.00 43.12 N ATOM 1448 CA TYR A 88 -3.529 -0.648 -6.169 1.00 72.42 C ATOM 1449 C TYR A 88 -2.964 -2.074 -6.112 1.00 73.25 C ATOM 1450 O TYR A 88 -3.490 -2.934 -5.409 1.00 13.42 O ATOM 1451 CB TYR A 88 -3.367 0.022 -4.797 1.00 70.12 C ATOM 1452 CG TYR A 88 -3.716 1.500 -4.793 1.00 1.13 C ATOM 1453 CD1 TYR A 88 -5.034 1.924 -4.923 1.00 42.14 C ATOM 1454 CD2 TYR A 88 -2.728 2.468 -4.659 1.00 44.11 C ATOM 1455 CE1 TYR A 88 -5.354 3.265 -4.922 1.00 32.30 C ATOM 1456 CE2 TYR A 88 -3.042 3.813 -4.653 1.00 41.34 C ATOM 1457 CZ TYR A 88 -4.357 4.206 -4.787 1.00 23.12 C ATOM 1458 OH TYR A 88 -4.677 5.544 -4.793 1.00 55.52 O ATOM 0 H TYR A 88 -5.579 -0.853 -5.801 1.00 43.12 H new ATOM 0 HA TYR A 88 -2.972 -0.089 -6.921 1.00 72.42 H new ATOM 0 HB2 TYR A 88 -4.000 -0.493 -4.074 1.00 70.12 H new ATOM 0 HB3 TYR A 88 -2.337 -0.100 -4.463 1.00 70.12 H new ATOM 0 HD1 TYR A 88 -5.820 1.191 -5.026 1.00 42.14 H new ATOM 0 HD2 TYR A 88 -1.697 2.163 -4.558 1.00 44.11 H new ATOM 0 HE1 TYR A 88 -6.383 3.577 -5.027 1.00 32.30 H new ATOM 0 HE2 TYR A 88 -2.262 4.552 -4.544 1.00 41.34 H new ATOM 0 HH TYR A 88 -5.473 5.687 -5.346 1.00 55.52 H new ATOM 1468 N THR A 89 -1.894 -2.319 -6.858 1.00 34.21 N ATOM 1469 CA THR A 89 -1.179 -3.599 -6.786 1.00 65.42 C ATOM 1470 C THR A 89 0.062 -3.467 -5.895 1.00 23.02 C ATOM 1471 O THR A 89 0.963 -2.681 -6.192 1.00 53.34 O ATOM 1472 CB THR A 89 -0.736 -4.101 -8.187 1.00 44.13 C ATOM 1473 OG1 THR A 89 -1.878 -4.273 -9.047 1.00 15.11 O ATOM 1474 CG2 THR A 89 0.020 -5.425 -8.081 1.00 11.01 C ATOM 0 H THR A 89 -1.498 -1.653 -7.521 1.00 34.21 H new ATOM 0 HA THR A 89 -1.874 -4.325 -6.363 1.00 65.42 H new ATOM 0 HB THR A 89 -0.073 -3.348 -8.612 1.00 44.13 H new ATOM 0 HG1 THR A 89 -2.470 -4.957 -8.671 1.00 15.11 H new ATOM 0 HG21 THR A 89 0.319 -5.754 -9.076 1.00 11.01 H new ATOM 0 HG22 THR A 89 0.907 -5.289 -7.462 1.00 11.01 H new ATOM 0 HG23 THR A 89 -0.626 -6.178 -7.629 1.00 11.01 H new ATOM 1482 N VAL A 90 0.093 -4.220 -4.798 1.00 3.24 N ATOM 1483 CA VAL A 90 1.235 -4.196 -3.875 1.00 54.31 C ATOM 1484 C VAL A 90 2.130 -5.433 -4.061 1.00 62.45 C ATOM 1485 O VAL A 90 1.664 -6.573 -4.020 1.00 70.50 O ATOM 1486 CB VAL A 90 0.772 -4.092 -2.394 1.00 15.32 C ATOM 1487 CG1 VAL A 90 -0.188 -5.224 -2.028 1.00 14.23 C ATOM 1488 CG2 VAL A 90 1.976 -4.069 -1.450 1.00 41.33 C ATOM 0 H VAL A 90 -0.656 -4.855 -4.523 1.00 3.24 H new ATOM 0 HA VAL A 90 1.817 -3.306 -4.114 1.00 54.31 H new ATOM 0 HB VAL A 90 0.231 -3.153 -2.280 1.00 15.32 H new ATOM 0 HG11 VAL A 90 -0.492 -5.121 -0.986 1.00 14.23 H new ATOM 0 HG12 VAL A 90 -1.068 -5.176 -2.669 1.00 14.23 H new ATOM 0 HG13 VAL A 90 0.311 -6.183 -2.167 1.00 14.23 H new ATOM 0 HG21 VAL A 90 1.629 -3.996 -0.419 1.00 41.33 H new ATOM 0 HG22 VAL A 90 2.553 -4.985 -1.574 1.00 41.33 H new ATOM 0 HG23 VAL A 90 2.605 -3.210 -1.683 1.00 41.33 H new ATOM 1498 N SER A 91 3.419 -5.197 -4.284 1.00 45.03 N ATOM 1499 CA SER A 91 4.390 -6.282 -4.482 1.00 1.14 C ATOM 1500 C SER A 91 5.551 -6.175 -3.485 1.00 52.44 C ATOM 1501 O SER A 91 6.236 -5.156 -3.423 1.00 61.10 O ATOM 1502 CB SER A 91 4.936 -6.255 -5.919 1.00 34.21 C ATOM 1503 OG SER A 91 3.892 -6.406 -6.875 1.00 43.12 O ATOM 0 H SER A 91 3.822 -4.261 -4.333 1.00 45.03 H new ATOM 0 HA SER A 91 3.874 -7.227 -4.310 1.00 1.14 H new ATOM 0 HB2 SER A 91 5.458 -5.314 -6.094 1.00 34.21 H new ATOM 0 HB3 SER A 91 5.667 -7.054 -6.047 1.00 34.21 H new ATOM 0 HG SER A 91 4.270 -6.383 -7.779 1.00 43.12 H new ATOM 1509 N ALA A 92 5.761 -7.228 -2.700 1.00 12.44 N ATOM 1510 CA ALA A 92 6.864 -7.276 -1.736 1.00 62.03 C ATOM 1511 C ALA A 92 7.937 -8.280 -2.180 1.00 21.10 C ATOM 1512 O ALA A 92 7.685 -9.487 -2.236 1.00 22.11 O ATOM 1513 CB ALA A 92 6.331 -7.646 -0.356 1.00 51.52 C ATOM 0 H ALA A 92 5.180 -8.066 -2.711 1.00 12.44 H new ATOM 0 HA ALA A 92 7.324 -6.289 -1.688 1.00 62.03 H new ATOM 0 HB1 ALA A 92 7.156 -7.680 0.356 1.00 51.52 H new ATOM 0 HB2 ALA A 92 5.605 -6.900 -0.034 1.00 51.52 H new ATOM 0 HB3 ALA A 92 5.851 -8.623 -0.402 1.00 51.52 H new ATOM 1519 N VAL A 93 9.137 -7.785 -2.485 1.00 71.52 N ATOM 1520 CA VAL A 93 10.218 -8.645 -2.989 1.00 41.30 C ATOM 1521 C VAL A 93 11.365 -8.813 -1.970 1.00 0.45 C ATOM 1522 O VAL A 93 12.073 -7.863 -1.632 1.00 62.23 O ATOM 1523 CB VAL A 93 10.780 -8.112 -4.337 1.00 25.52 C ATOM 1524 CG1 VAL A 93 11.317 -6.688 -4.197 1.00 11.25 C ATOM 1525 CG2 VAL A 93 11.855 -9.051 -4.889 1.00 30.12 C ATOM 0 H VAL A 93 9.388 -6.801 -2.394 1.00 71.52 H new ATOM 0 HA VAL A 93 9.775 -9.627 -3.152 1.00 41.30 H new ATOM 0 HB VAL A 93 9.955 -8.083 -5.049 1.00 25.52 H new ATOM 0 HG11 VAL A 93 11.702 -6.348 -5.159 1.00 11.25 H new ATOM 0 HG12 VAL A 93 10.514 -6.026 -3.873 1.00 11.25 H new ATOM 0 HG13 VAL A 93 12.119 -6.673 -3.459 1.00 11.25 H new ATOM 0 HG21 VAL A 93 12.233 -8.657 -5.832 1.00 30.12 H new ATOM 0 HG22 VAL A 93 12.674 -9.127 -4.174 1.00 30.12 H new ATOM 0 HG23 VAL A 93 11.425 -10.039 -5.055 1.00 30.12 H new ATOM 1535 N ASN A 94 11.512 -10.032 -1.456 1.00 61.32 N ATOM 1536 CA ASN A 94 12.642 -10.402 -0.594 1.00 51.00 C ATOM 1537 C ASN A 94 13.544 -11.407 -1.333 1.00 51.12 C ATOM 1538 O ASN A 94 13.078 -12.121 -2.222 1.00 52.33 O ATOM 1539 CB ASN A 94 12.105 -11.004 0.721 1.00 2.01 C ATOM 1540 CG ASN A 94 13.179 -11.289 1.766 1.00 24.20 C ATOM 1541 OD1 ASN A 94 14.315 -11.607 1.453 1.00 71.12 O ATOM 1542 ND2 ASN A 94 12.821 -11.185 3.025 1.00 23.02 N ATOM 0 H ASN A 94 10.854 -10.793 -1.623 1.00 61.32 H new ATOM 0 HA ASN A 94 13.235 -9.519 -0.355 1.00 51.00 H new ATOM 0 HB2 ASN A 94 11.372 -10.319 1.148 1.00 2.01 H new ATOM 0 HB3 ASN A 94 11.580 -11.932 0.494 1.00 2.01 H new ATOM 0 HD21 ASN A 94 13.498 -11.371 3.765 1.00 23.02 H new ATOM 0 HD22 ASN A 94 11.866 -10.918 3.263 1.00 23.02 H new ATOM 1549 N GLU A 95 14.822 -11.467 -0.971 1.00 32.32 N ATOM 1550 CA GLU A 95 15.733 -12.462 -1.552 1.00 41.15 C ATOM 1551 C GLU A 95 15.211 -13.887 -1.289 1.00 13.42 C ATOM 1552 O GLU A 95 15.344 -14.779 -2.128 1.00 32.12 O ATOM 1553 CB GLU A 95 17.154 -12.300 -0.984 1.00 42.32 C ATOM 1554 CG GLU A 95 17.256 -12.514 0.525 1.00 42.22 C ATOM 1555 CD GLU A 95 18.681 -12.393 1.045 1.00 40.35 C ATOM 1556 OE1 GLU A 95 19.477 -13.335 0.837 1.00 32.44 O ATOM 1557 OE2 GLU A 95 19.016 -11.358 1.662 1.00 44.42 O ATOM 0 H GLU A 95 15.252 -10.847 -0.285 1.00 32.32 H new ATOM 0 HA GLU A 95 15.774 -12.298 -2.629 1.00 41.15 H new ATOM 0 HB2 GLU A 95 17.816 -13.007 -1.485 1.00 42.32 H new ATOM 0 HB3 GLU A 95 17.516 -11.300 -1.223 1.00 42.32 H new ATOM 0 HG2 GLU A 95 16.626 -11.785 1.034 1.00 42.22 H new ATOM 0 HG3 GLU A 95 16.866 -13.501 0.774 1.00 42.22 H new ATOM 1564 N ALA A 96 14.615 -14.080 -0.112 1.00 23.24 N ATOM 1565 CA ALA A 96 14.024 -15.367 0.277 1.00 1.33 C ATOM 1566 C ALA A 96 12.717 -15.684 -0.482 1.00 52.42 C ATOM 1567 O ALA A 96 12.199 -16.800 -0.392 1.00 65.12 O ATOM 1568 CB ALA A 96 13.779 -15.384 1.782 1.00 50.42 C ATOM 0 H ALA A 96 14.527 -13.353 0.598 1.00 23.24 H new ATOM 0 HA ALA A 96 14.737 -16.145 0.005 1.00 1.33 H new ATOM 0 HB1 ALA A 96 13.340 -16.340 2.068 1.00 50.42 H new ATOM 0 HB2 ALA A 96 14.725 -15.247 2.306 1.00 50.42 H new ATOM 0 HB3 ALA A 96 13.096 -14.577 2.049 1.00 50.42 H new ATOM 1574 N GLY A 97 12.176 -14.703 -1.209 1.00 63.20 N ATOM 1575 CA GLY A 97 10.938 -14.920 -1.963 1.00 74.20 C ATOM 1576 C GLY A 97 10.143 -13.639 -2.228 1.00 74.45 C ATOM 1577 O GLY A 97 10.338 -12.622 -1.561 1.00 51.11 O ATOM 0 H GLY A 97 12.568 -13.765 -1.292 1.00 63.20 H new ATOM 0 HA2 GLY A 97 11.182 -15.389 -2.916 1.00 74.20 H new ATOM 0 HA3 GLY A 97 10.308 -15.621 -1.415 1.00 74.20 H new ATOM 1581 N VAL A 98 9.231 -13.689 -3.202 1.00 22.14 N ATOM 1582 CA VAL A 98 8.386 -12.532 -3.547 1.00 62.20 C ATOM 1583 C VAL A 98 6.884 -12.850 -3.385 1.00 22.21 C ATOM 1584 O VAL A 98 6.460 -13.992 -3.569 1.00 4.43 O ATOM 1585 CB VAL A 98 8.660 -12.059 -5.000 1.00 23.14 C ATOM 1586 CG1 VAL A 98 8.319 -13.156 -6.008 1.00 32.20 C ATOM 1587 CG2 VAL A 98 7.895 -10.770 -5.311 1.00 32.23 C ATOM 0 H VAL A 98 9.055 -14.518 -3.770 1.00 22.14 H new ATOM 0 HA VAL A 98 8.646 -11.733 -2.852 1.00 62.20 H new ATOM 0 HB VAL A 98 9.725 -11.845 -5.087 1.00 23.14 H new ATOM 0 HG11 VAL A 98 8.520 -12.798 -7.018 1.00 32.20 H new ATOM 0 HG12 VAL A 98 8.929 -14.037 -5.807 1.00 32.20 H new ATOM 0 HG13 VAL A 98 7.264 -13.417 -5.919 1.00 32.20 H new ATOM 0 HG21 VAL A 98 8.105 -10.461 -6.335 1.00 32.23 H new ATOM 0 HG22 VAL A 98 6.825 -10.945 -5.197 1.00 32.23 H new ATOM 0 HG23 VAL A 98 8.210 -9.985 -4.623 1.00 32.23 H new ATOM 1597 N THR A 99 6.086 -11.838 -3.023 1.00 3.50 N ATOM 1598 CA THR A 99 4.623 -12.000 -2.881 1.00 71.33 C ATOM 1599 C THR A 99 3.862 -10.753 -3.364 1.00 75.33 C ATOM 1600 O THR A 99 4.332 -9.627 -3.197 1.00 14.30 O ATOM 1601 CB THR A 99 4.210 -12.310 -1.422 1.00 73.20 C ATOM 1602 OG1 THR A 99 2.784 -12.451 -1.332 1.00 12.03 O ATOM 1603 CG2 THR A 99 4.672 -11.212 -0.471 1.00 51.14 C ATOM 0 H THR A 99 6.423 -10.896 -2.822 1.00 3.50 H new ATOM 0 HA THR A 99 4.354 -12.849 -3.509 1.00 71.33 H new ATOM 0 HB THR A 99 4.691 -13.244 -1.131 1.00 73.20 H new ATOM 0 HG1 THR A 99 2.404 -11.662 -0.891 1.00 12.03 H new ATOM 0 HG21 THR A 99 4.367 -11.459 0.546 1.00 51.14 H new ATOM 0 HG22 THR A 99 5.758 -11.127 -0.513 1.00 51.14 H new ATOM 0 HG23 THR A 99 4.222 -10.263 -0.764 1.00 51.14 H new ATOM 1611 N THR A 100 2.695 -10.957 -3.978 1.00 1.35 N ATOM 1612 CA THR A 100 1.891 -9.844 -4.516 1.00 32.43 C ATOM 1613 C THR A 100 0.411 -9.945 -4.104 1.00 25.44 C ATOM 1614 O THR A 100 -0.147 -11.042 -4.000 1.00 50.30 O ATOM 1615 CB THR A 100 1.974 -9.791 -6.065 1.00 2.11 C ATOM 1616 OG1 THR A 100 3.339 -9.618 -6.480 1.00 32.32 O ATOM 1617 CG2 THR A 100 1.129 -8.656 -6.638 1.00 54.44 C ATOM 0 H THR A 100 2.281 -11.879 -4.118 1.00 1.35 H new ATOM 0 HA THR A 100 2.312 -8.932 -4.092 1.00 32.43 H new ATOM 0 HB THR A 100 1.584 -10.735 -6.445 1.00 2.11 H new ATOM 0 HG1 THR A 100 3.529 -8.663 -6.590 1.00 32.32 H new ATOM 0 HG21 THR A 100 1.214 -8.652 -7.725 1.00 54.44 H new ATOM 0 HG22 THR A 100 0.086 -8.800 -6.356 1.00 54.44 H new ATOM 0 HG23 THR A 100 1.483 -7.704 -6.243 1.00 54.44 H new ATOM 1625 N CYS A 101 -0.216 -8.786 -3.877 1.00 4.23 N ATOM 1626 CA CYS A 101 -1.650 -8.707 -3.551 1.00 22.23 C ATOM 1627 C CYS A 101 -2.287 -7.468 -4.205 1.00 44.22 C ATOM 1628 O CYS A 101 -1.580 -6.600 -4.724 1.00 31.31 O ATOM 1629 CB CYS A 101 -1.854 -8.654 -2.032 1.00 52.03 C ATOM 1630 SG CYS A 101 -3.588 -8.624 -1.517 1.00 42.13 S ATOM 0 H CYS A 101 0.250 -7.879 -3.913 1.00 4.23 H new ATOM 0 HA CYS A 101 -2.135 -9.601 -3.943 1.00 22.23 H new ATOM 0 HB2 CYS A 101 -1.368 -9.519 -1.581 1.00 52.03 H new ATOM 0 HB3 CYS A 101 -1.355 -7.768 -1.640 1.00 52.03 H new ATOM 0 HG CYS A 101 -3.679 -9.003 -0.277 1.00 42.13 H new ATOM 1636 N ASN A 102 -3.619 -7.380 -4.176 1.00 61.42 N ATOM 1637 CA ASN A 102 -4.328 -6.251 -4.803 1.00 61.13 C ATOM 1638 C ASN A 102 -5.235 -5.506 -3.813 1.00 71.44 C ATOM 1639 O ASN A 102 -5.736 -6.076 -2.843 1.00 11.35 O ATOM 1640 CB ASN A 102 -5.151 -6.728 -6.005 1.00 63.55 C ATOM 1641 CG ASN A 102 -4.277 -7.161 -7.168 1.00 13.24 C ATOM 1642 OD1 ASN A 102 -3.913 -6.356 -8.022 1.00 30.33 O ATOM 1643 ND2 ASN A 102 -3.933 -8.430 -7.219 1.00 12.10 N ATOM 0 H ASN A 102 -4.227 -8.067 -3.731 1.00 61.42 H new ATOM 0 HA ASN A 102 -3.564 -5.551 -5.141 1.00 61.13 H new ATOM 0 HB2 ASN A 102 -5.785 -7.561 -5.701 1.00 63.55 H new ATOM 0 HB3 ASN A 102 -5.813 -5.926 -6.330 1.00 63.55 H new ATOM 0 HD21 ASN A 102 -3.348 -8.770 -7.983 1.00 12.10 H new ATOM 0 HD22 ASN A 102 -4.251 -9.074 -6.495 1.00 12.10 H new ATOM 1650 N THR A 103 -5.455 -4.225 -4.092 1.00 1.43 N ATOM 1651 CA THR A 103 -6.252 -3.347 -3.223 1.00 63.14 C ATOM 1652 C THR A 103 -7.112 -2.390 -4.060 1.00 34.00 C ATOM 1653 O THR A 103 -6.737 -2.021 -5.166 1.00 53.44 O ATOM 1654 CB THR A 103 -5.346 -2.507 -2.288 1.00 40.22 C ATOM 1655 OG1 THR A 103 -4.459 -3.367 -1.566 1.00 21.30 O ATOM 1656 CG2 THR A 103 -6.169 -1.680 -1.301 1.00 15.34 C ATOM 0 H THR A 103 -5.089 -3.761 -4.924 1.00 1.43 H new ATOM 0 HA THR A 103 -6.893 -3.990 -2.620 1.00 63.14 H new ATOM 0 HB THR A 103 -4.772 -1.821 -2.911 1.00 40.22 H new ATOM 0 HG1 THR A 103 -3.531 -3.130 -1.775 1.00 21.30 H new ATOM 0 HG21 THR A 103 -5.500 -1.104 -0.662 1.00 15.34 H new ATOM 0 HG22 THR A 103 -6.820 -1.000 -1.850 1.00 15.34 H new ATOM 0 HG23 THR A 103 -6.775 -2.345 -0.686 1.00 15.34 H new ATOM 1664 N ARG A 104 -8.270 -1.999 -3.542 1.00 41.32 N ATOM 1665 CA ARG A 104 -9.135 -1.035 -4.238 1.00 70.03 C ATOM 1666 C ARG A 104 -9.351 0.228 -3.387 1.00 72.24 C ATOM 1667 O ARG A 104 -9.440 0.153 -2.164 1.00 31.12 O ATOM 1668 CB ARG A 104 -10.486 -1.683 -4.583 1.00 20.01 C ATOM 1669 CG ARG A 104 -11.496 -0.720 -5.202 1.00 14.10 C ATOM 1670 CD ARG A 104 -12.818 -1.409 -5.524 1.00 75.53 C ATOM 1671 NE ARG A 104 -13.837 -0.449 -5.930 1.00 2.54 N ATOM 1672 CZ ARG A 104 -14.929 -0.750 -6.574 1.00 34.02 C ATOM 1673 NH1 ARG A 104 -15.220 -1.978 -6.865 1.00 14.50 N ATOM 1674 NH2 ARG A 104 -15.747 0.189 -6.906 1.00 72.03 N ATOM 0 H ARG A 104 -8.636 -2.328 -2.649 1.00 41.32 H new ATOM 0 HA ARG A 104 -8.639 -0.740 -5.162 1.00 70.03 H new ATOM 0 HB2 ARG A 104 -10.316 -2.508 -5.274 1.00 20.01 H new ATOM 0 HB3 ARG A 104 -10.915 -2.110 -3.676 1.00 20.01 H new ATOM 0 HG2 ARG A 104 -11.676 0.107 -4.516 1.00 14.10 H new ATOM 0 HG3 ARG A 104 -11.078 -0.293 -6.114 1.00 14.10 H new ATOM 0 HD2 ARG A 104 -12.665 -2.137 -6.320 1.00 75.53 H new ATOM 0 HD3 ARG A 104 -13.164 -1.961 -4.650 1.00 75.53 H new ATOM 0 HE ARG A 104 -13.684 0.531 -5.692 1.00 2.54 H new ATOM 0 HH11 ARG A 104 -14.589 -2.731 -6.589 1.00 14.50 H new ATOM 0 HH12 ARG A 104 -16.080 -2.192 -7.370 1.00 14.50 H new ATOM 0 HH21 ARG A 104 -15.537 1.157 -6.664 1.00 72.03 H new ATOM 0 HH22 ARG A 104 -16.605 -0.036 -7.410 1.00 72.03 H new ATOM 1688 N LEU A 105 -9.414 1.387 -4.040 1.00 45.45 N ATOM 1689 CA LEU A 105 -9.699 2.650 -3.348 1.00 21.32 C ATOM 1690 C LEU A 105 -10.778 3.454 -4.087 1.00 63.54 C ATOM 1691 O LEU A 105 -10.622 3.786 -5.264 1.00 23.20 O ATOM 1692 CB LEU A 105 -8.420 3.491 -3.212 1.00 1.12 C ATOM 1693 CG LEU A 105 -8.600 4.850 -2.507 1.00 14.14 C ATOM 1694 CD1 LEU A 105 -9.078 4.661 -1.069 1.00 64.41 C ATOM 1695 CD2 LEU A 105 -7.304 5.657 -2.542 1.00 13.10 C ATOM 0 H LEU A 105 -9.272 1.481 -5.046 1.00 45.45 H new ATOM 0 HA LEU A 105 -10.072 2.407 -2.353 1.00 21.32 H new ATOM 0 HB2 LEU A 105 -7.679 2.910 -2.663 1.00 1.12 H new ATOM 0 HB3 LEU A 105 -8.013 3.667 -4.208 1.00 1.12 H new ATOM 0 HG LEU A 105 -9.364 5.409 -3.047 1.00 14.14 H new ATOM 0 HD11 LEU A 105 -9.197 5.635 -0.594 1.00 64.41 H new ATOM 0 HD12 LEU A 105 -10.034 4.138 -1.069 1.00 64.41 H new ATOM 0 HD13 LEU A 105 -8.344 4.075 -0.516 1.00 64.41 H new ATOM 0 HD21 LEU A 105 -7.456 6.612 -2.038 1.00 13.10 H new ATOM 0 HD22 LEU A 105 -6.515 5.101 -2.035 1.00 13.10 H new ATOM 0 HD23 LEU A 105 -7.014 5.835 -3.578 1.00 13.10 H new ATOM 1707 N ASP A 106 -11.863 3.777 -3.383 1.00 0.05 N ATOM 1708 CA ASP A 106 -12.979 4.524 -3.970 1.00 51.15 C ATOM 1709 C ASP A 106 -13.047 5.958 -3.426 1.00 24.21 C ATOM 1710 O ASP A 106 -12.925 6.190 -2.222 1.00 22.42 O ATOM 1711 CB ASP A 106 -14.305 3.806 -3.693 1.00 50.33 C ATOM 1712 CG ASP A 106 -14.423 2.491 -4.444 1.00 11.41 C ATOM 1713 OD1 ASP A 106 -13.990 1.453 -3.908 1.00 34.20 O ATOM 1714 OD2 ASP A 106 -14.954 2.491 -5.581 1.00 3.30 O ATOM 0 H ASP A 106 -11.994 3.533 -2.401 1.00 0.05 H new ATOM 0 HA ASP A 106 -12.809 4.575 -5.046 1.00 51.15 H new ATOM 0 HB2 ASP A 106 -14.396 3.619 -2.623 1.00 50.33 H new ATOM 0 HB3 ASP A 106 -15.133 4.457 -3.975 1.00 50.33 H new ATOM 1719 N VAL A 107 -13.236 6.921 -4.323 1.00 12.44 N ATOM 1720 CA VAL A 107 -13.395 8.327 -3.934 1.00 74.44 C ATOM 1721 C VAL A 107 -14.745 8.881 -4.414 1.00 53.13 C ATOM 1722 O VAL A 107 -15.200 8.575 -5.519 1.00 50.42 O ATOM 1723 CB VAL A 107 -12.251 9.211 -4.496 1.00 3.34 C ATOM 1724 CG1 VAL A 107 -12.397 10.658 -4.020 1.00 64.14 C ATOM 1725 CG2 VAL A 107 -10.885 8.646 -4.105 1.00 22.41 C ATOM 0 H VAL A 107 -13.284 6.757 -5.329 1.00 12.44 H new ATOM 0 HA VAL A 107 -13.357 8.359 -2.845 1.00 74.44 H new ATOM 0 HB VAL A 107 -12.322 9.204 -5.584 1.00 3.34 H new ATOM 0 HG11 VAL A 107 -11.584 11.259 -4.427 1.00 64.14 H new ATOM 0 HG12 VAL A 107 -13.351 11.059 -4.363 1.00 64.14 H new ATOM 0 HG13 VAL A 107 -12.361 10.688 -2.931 1.00 64.14 H new ATOM 0 HG21 VAL A 107 -10.098 9.283 -4.510 1.00 22.41 H new ATOM 0 HG22 VAL A 107 -10.802 8.614 -3.019 1.00 22.41 H new ATOM 0 HG23 VAL A 107 -10.779 7.638 -4.507 1.00 22.41 H new ATOM 1735 N THR A 108 -15.379 9.699 -3.581 1.00 25.43 N ATOM 1736 CA THR A 108 -16.685 10.287 -3.906 1.00 14.20 C ATOM 1737 C THR A 108 -16.616 11.817 -3.926 1.00 63.21 C ATOM 1738 O THR A 108 -15.900 12.430 -3.131 1.00 52.31 O ATOM 1739 CB THR A 108 -17.773 9.826 -2.903 1.00 62.35 C ATOM 1740 OG1 THR A 108 -17.934 8.403 -2.985 1.00 14.23 O ATOM 1741 CG2 THR A 108 -19.116 10.504 -3.168 1.00 51.32 C ATOM 0 H THR A 108 -15.012 9.974 -2.670 1.00 25.43 H new ATOM 0 HA THR A 108 -16.956 9.936 -4.902 1.00 14.20 H new ATOM 0 HB THR A 108 -17.444 10.111 -1.904 1.00 62.35 H new ATOM 0 HG1 THR A 108 -18.621 8.114 -2.349 1.00 14.23 H new ATOM 0 HG21 THR A 108 -19.850 10.153 -2.443 1.00 51.32 H new ATOM 0 HG22 THR A 108 -19.003 11.584 -3.076 1.00 51.32 H new ATOM 0 HG23 THR A 108 -19.455 10.259 -4.175 1.00 51.32 H new ATOM 1749 N ALA A 109 -17.375 12.431 -4.834 1.00 70.50 N ATOM 1750 CA ALA A 109 -17.353 13.884 -5.009 1.00 42.21 C ATOM 1751 C ALA A 109 -18.123 14.590 -3.887 1.00 60.44 C ATOM 1752 O ALA A 109 -19.243 14.198 -3.548 1.00 34.32 O ATOM 1753 CB ALA A 109 -17.932 14.265 -6.370 1.00 74.50 C ATOM 0 H ALA A 109 -18.014 11.943 -5.461 1.00 70.50 H new ATOM 0 HA ALA A 109 -16.314 14.212 -4.963 1.00 42.21 H new ATOM 0 HB1 ALA A 109 -17.909 15.349 -6.485 1.00 74.50 H new ATOM 0 HB2 ALA A 109 -17.339 13.804 -7.160 1.00 74.50 H new ATOM 0 HB3 ALA A 109 -18.962 13.915 -6.438 1.00 74.50 H new