USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1150 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 10 TYR OH : rot 49:sc= 1.04 USER MOD Set 1.2: A 96 LYS NZ :NH3+ 133:sc= 1.25 (180deg=-0.969) USER MOD Set 1.3: A 113 SER OG : rot -30:sc= 1.14 USER MOD Single : A 1 PHE N :NH3+ -164:sc= 0.157 (180deg=0.0705) USER MOD Single : A 2 LYS NZ :NH3+ 166:sc= -0.025 (180deg=-0.214) USER MOD Single : A 3 TYR OH : rot -4:sc= 1.27 USER MOD Single : A 14 MET CE :methyl 160:sc= 0 (180deg=-0.481) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 24 ASN : amide:sc= -1.2 K(o=-1.2,f=-1.8) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 154:sc= 0.261 (180deg=0.0735) USER MOD Single : A 31 THR OG1 : rot 58:sc= 0.804 USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0401) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 145:sc=-0.00286 USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= -0.0415 (180deg=-0.305) USER MOD Single : A 44 ASN : amide:sc= -3.56! C(o=-3.6!,f=-5.1!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 33:sc= 1.24 USER MOD Single : A 53 LYS NZ :NH3+ 158:sc= 0.878 (180deg=0.496) USER MOD Single : A 54 LYS NZ :NH3+ 163:sc= -0.0561 (180deg=-0.362) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 1.15 (180deg=1.03) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -1.37 K(o=-1.4,f=0.21) USER MOD Single : A 69 MET CE :methyl -163:sc= -1.72 (180deg=-2.53) USER MOD Single : A 71 LYS NZ :NH3+ 154:sc= 1.26 (180deg=1.09) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 155:sc= -0.604 (180deg=-1.54) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= 1.3 (180deg=1.17) USER MOD Single : A 88 SER OG : rot -78:sc= 0.77 USER MOD Single : A 99 TYR OH : rot 66:sc= 0.0718 USER MOD Single : A 100 TYR OH : rot -16:sc= 0.468 USER MOD Single : A 101 THR OG1 : rot 61:sc= -3.31! USER MOD Single : A 103 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 106 THR OG1 : rot 180:sc=-0.00483 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -140:sc= 1.23 (180deg=0.225) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 179:sc= 1.23 (180deg=1.2) USER MOD Single : A 121 TYR OH : rot 30:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 MET CE :methyl -139:sc= -0.249 (180deg=-1.9) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -0.362 K(o=-0.36,f=-3.1!) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 SER OG : rot 180:sc= 0 USER MOD Single : A 147 LYS NZ :NH3+ 170:sc= 1.12 (180deg=0.737) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 221 N PHE A 1 4.105 19.023 -9.268 1.00 1.03 N ATOM 222 CA PHE A 1 3.653 17.744 -9.785 1.00 1.07 C ATOM 223 C PHE A 1 2.132 17.670 -9.798 1.00 0.89 C ATOM 224 O PHE A 1 1.455 18.112 -8.862 1.00 0.81 O ATOM 225 CB PHE A 1 4.238 16.585 -8.968 1.00 1.39 C ATOM 226 CG PHE A 1 3.522 16.309 -7.673 1.00 0.93 C ATOM 227 CD1 PHE A 1 3.659 17.176 -6.601 1.00 1.15 C ATOM 228 CD2 PHE A 1 2.708 15.196 -7.530 1.00 1.11 C ATOM 229 CE1 PHE A 1 3.004 16.938 -5.410 1.00 1.47 C ATOM 230 CE2 PHE A 1 2.049 14.953 -6.340 1.00 1.14 C ATOM 231 CZ PHE A 1 2.200 15.777 -5.288 1.00 1.31 C ATOM 0 H1 PHE A 1 5.106 19.163 -9.514 1.00 1.03 H new ATOM 0 H2 PHE A 1 3.536 19.787 -9.685 1.00 1.03 H new ATOM 0 H3 PHE A 1 3.998 19.037 -8.234 1.00 1.03 H new ATOM 0 HA PHE A 1 4.010 17.654 -10.811 1.00 1.07 H new ATOM 0 HB2 PHE A 1 4.220 15.682 -9.578 1.00 1.39 H new ATOM 0 HB3 PHE A 1 5.284 16.802 -8.751 1.00 1.39 H new ATOM 0 HD1 PHE A 1 4.287 18.049 -6.699 1.00 1.15 H new ATOM 0 HD2 PHE A 1 2.588 14.512 -8.357 1.00 1.11 H new ATOM 0 HE1 PHE A 1 3.102 17.626 -4.583 1.00 1.47 H new ATOM 0 HE2 PHE A 1 1.405 14.091 -6.254 1.00 1.14 H new ATOM 0 HZ PHE A 1 1.710 15.555 -4.352 1.00 1.31 H new ATOM 241 N LYS A 2 1.597 17.112 -10.862 1.00 0.96 N ATOM 242 CA LYS A 2 0.166 16.936 -10.981 1.00 0.98 C ATOM 243 C LYS A 2 -0.180 15.468 -10.827 1.00 1.01 C ATOM 244 O LYS A 2 0.507 14.597 -11.356 1.00 1.42 O ATOM 245 CB LYS A 2 -0.331 17.463 -12.332 1.00 1.14 C ATOM 246 CG LYS A 2 -0.191 18.968 -12.495 1.00 1.62 C ATOM 247 CD LYS A 2 -1.019 19.719 -11.465 1.00 2.02 C ATOM 248 CE LYS A 2 -0.984 21.221 -11.702 1.00 2.67 C ATOM 249 NZ LYS A 2 -1.631 21.602 -12.986 1.00 3.15 N ATOM 0 H LYS A 2 2.134 16.771 -11.660 1.00 0.96 H new ATOM 0 HA LYS A 2 -0.328 17.504 -10.193 1.00 0.98 H new ATOM 0 HB2 LYS A 2 0.222 16.968 -13.130 1.00 1.14 H new ATOM 0 HB3 LYS A 2 -1.379 17.190 -12.454 1.00 1.14 H new ATOM 0 HG2 LYS A 2 0.857 19.250 -12.396 1.00 1.62 H new ATOM 0 HG3 LYS A 2 -0.506 19.257 -13.498 1.00 1.62 H new ATOM 0 HD2 LYS A 2 -2.051 19.369 -11.502 1.00 2.02 H new ATOM 0 HD3 LYS A 2 -0.643 19.499 -10.466 1.00 2.02 H new ATOM 0 HE2 LYS A 2 -1.487 21.729 -10.879 1.00 2.67 H new ATOM 0 HE3 LYS A 2 0.051 21.563 -11.703 1.00 2.67 H new ATOM 0 HZ1 LYS A 2 -1.798 22.628 -13.000 1.00 3.15 H new ATOM 0 HZ2 LYS A 2 -1.010 21.342 -13.778 1.00 3.15 H new ATOM 0 HZ3 LYS A 2 -2.538 21.103 -13.079 1.00 3.15 H new ATOM 263 N TYR A 3 -1.248 15.199 -10.093 1.00 0.91 N ATOM 264 CA TYR A 3 -1.689 13.835 -9.854 1.00 0.94 C ATOM 265 C TYR A 3 -2.260 13.249 -11.140 1.00 1.01 C ATOM 266 O TYR A 3 -2.378 12.037 -11.294 1.00 0.90 O ATOM 267 CB TYR A 3 -2.728 13.807 -8.725 1.00 1.02 C ATOM 268 CG TYR A 3 -3.117 12.413 -8.286 1.00 1.12 C ATOM 269 CD1 TYR A 3 -2.147 11.475 -7.961 1.00 1.31 C ATOM 270 CD2 TYR A 3 -4.449 12.033 -8.208 1.00 1.36 C ATOM 271 CE1 TYR A 3 -2.492 10.199 -7.568 1.00 1.62 C ATOM 272 CE2 TYR A 3 -4.804 10.755 -7.818 1.00 1.78 C ATOM 273 CZ TYR A 3 -3.822 9.843 -7.498 1.00 1.87 C ATOM 274 OH TYR A 3 -4.166 8.566 -7.117 1.00 2.35 O ATOM 0 H TYR A 3 -1.828 15.912 -9.650 1.00 0.91 H new ATOM 0 HA TYR A 3 -0.839 13.226 -9.545 1.00 0.94 H new ATOM 0 HB2 TYR A 3 -2.333 14.351 -7.867 1.00 1.02 H new ATOM 0 HB3 TYR A 3 -3.622 14.337 -9.054 1.00 1.02 H new ATOM 0 HD1 TYR A 3 -1.104 11.749 -8.017 1.00 1.31 H new ATOM 0 HD2 TYR A 3 -5.221 12.747 -8.456 1.00 1.36 H new ATOM 0 HE1 TYR A 3 -1.724 9.482 -7.316 1.00 1.62 H new ATOM 0 HE2 TYR A 3 -5.845 10.473 -7.764 1.00 1.78 H new ATOM 0 HH TYR A 3 -3.354 8.030 -6.998 1.00 2.35 H new ATOM 284 N GLU A 4 -2.579 14.134 -12.073 1.00 1.38 N ATOM 285 CA GLU A 4 -3.062 13.735 -13.384 1.00 1.74 C ATOM 286 C GLU A 4 -1.895 13.628 -14.364 1.00 1.24 C ATOM 287 O GLU A 4 -2.085 13.347 -15.548 1.00 1.52 O ATOM 288 CB GLU A 4 -4.095 14.741 -13.896 1.00 2.44 C ATOM 289 CG GLU A 4 -5.304 14.882 -12.985 1.00 3.05 C ATOM 290 CD GLU A 4 -6.290 15.920 -13.480 1.00 3.65 C ATOM 291 OE1 GLU A 4 -6.013 17.128 -13.331 1.00 3.95 O ATOM 292 OE2 GLU A 4 -7.347 15.534 -14.019 1.00 4.16 O ATOM 0 H GLU A 4 -2.510 15.143 -11.943 1.00 1.38 H new ATOM 0 HA GLU A 4 -3.539 12.759 -13.300 1.00 1.74 H new ATOM 0 HB2 GLU A 4 -3.618 15.715 -14.008 1.00 2.44 H new ATOM 0 HB3 GLU A 4 -4.430 14.434 -14.887 1.00 2.44 H new ATOM 0 HG2 GLU A 4 -5.807 13.918 -12.904 1.00 3.05 H new ATOM 0 HG3 GLU A 4 -4.970 15.153 -11.983 1.00 3.05 H new ATOM 299 N ASP A 5 -0.684 13.859 -13.859 1.00 0.71 N ATOM 300 CA ASP A 5 0.519 13.762 -14.678 1.00 0.73 C ATOM 301 C ASP A 5 1.295 12.496 -14.324 1.00 0.72 C ATOM 302 O ASP A 5 2.158 12.044 -15.079 1.00 0.90 O ATOM 303 CB ASP A 5 1.400 15.001 -14.491 1.00 1.07 C ATOM 304 CG ASP A 5 2.633 14.986 -15.376 1.00 1.83 C ATOM 305 OD1 ASP A 5 2.499 15.223 -16.596 1.00 2.15 O ATOM 306 OD2 ASP A 5 3.741 14.738 -14.859 1.00 2.57 O ATOM 0 H ASP A 5 -0.512 14.114 -12.887 1.00 0.71 H new ATOM 0 HA ASP A 5 0.223 13.709 -15.726 1.00 0.73 H new ATOM 0 HB2 ASP A 5 0.814 15.894 -14.708 1.00 1.07 H new ATOM 0 HB3 ASP A 5 1.708 15.068 -13.448 1.00 1.07 H new ATOM 311 N ILE A 6 0.968 11.914 -13.176 1.00 0.58 N ATOM 312 CA ILE A 6 1.556 10.648 -12.767 1.00 0.55 C ATOM 313 C ILE A 6 0.889 9.530 -13.563 1.00 0.54 C ATOM 314 O ILE A 6 -0.334 9.531 -13.702 1.00 0.58 O ATOM 315 CB ILE A 6 1.352 10.406 -11.250 1.00 0.55 C ATOM 316 CG1 ILE A 6 1.955 11.559 -10.444 1.00 0.63 C ATOM 317 CG2 ILE A 6 1.966 9.078 -10.819 1.00 0.56 C ATOM 318 CD1 ILE A 6 1.762 11.424 -8.948 1.00 0.69 C ATOM 0 H ILE A 6 0.297 12.301 -12.512 1.00 0.58 H new ATOM 0 HA ILE A 6 2.628 10.668 -12.961 1.00 0.55 H new ATOM 0 HB ILE A 6 0.281 10.361 -11.054 1.00 0.55 H new ATOM 0 HG12 ILE A 6 3.022 11.622 -10.659 1.00 0.63 H new ATOM 0 HG13 ILE A 6 1.507 12.496 -10.776 1.00 0.63 H new ATOM 0 HG21 ILE A 6 1.808 8.934 -9.750 1.00 0.56 H new ATOM 0 HG22 ILE A 6 1.494 8.264 -11.368 1.00 0.56 H new ATOM 0 HG23 ILE A 6 3.035 9.086 -11.030 1.00 0.56 H new ATOM 0 HD11 ILE A 6 2.216 12.278 -8.444 1.00 0.69 H new ATOM 0 HD12 ILE A 6 0.697 11.392 -8.720 1.00 0.69 H new ATOM 0 HD13 ILE A 6 2.235 10.505 -8.602 1.00 0.69 H new ATOM 325 N PRO A 7 1.683 8.588 -14.118 1.00 0.53 N ATOM 326 CA PRO A 7 1.174 7.502 -14.967 1.00 0.55 C ATOM 327 C PRO A 7 -0.098 6.870 -14.420 1.00 0.53 C ATOM 328 O PRO A 7 -0.094 6.275 -13.339 1.00 0.52 O ATOM 329 CB PRO A 7 2.321 6.496 -14.955 1.00 0.55 C ATOM 330 CG PRO A 7 3.540 7.336 -14.822 1.00 0.60 C ATOM 331 CD PRO A 7 3.149 8.503 -13.953 1.00 0.54 C ATOM 0 HA PRO A 7 0.898 7.855 -15.961 1.00 0.55 H new ATOM 0 HB2 PRO A 7 2.228 5.795 -14.125 1.00 0.55 H new ATOM 0 HB3 PRO A 7 2.342 5.905 -15.871 1.00 0.55 H new ATOM 0 HG2 PRO A 7 4.356 6.771 -14.372 1.00 0.60 H new ATOM 0 HG3 PRO A 7 3.888 7.676 -15.798 1.00 0.60 H new ATOM 0 HD2 PRO A 7 3.426 8.337 -12.912 1.00 0.54 H new ATOM 0 HD3 PRO A 7 3.642 9.422 -14.271 1.00 0.54 H new ATOM 339 N ALA A 8 -1.184 7.004 -15.172 1.00 0.55 N ATOM 340 CA ALA A 8 -2.490 6.535 -14.728 1.00 0.54 C ATOM 341 C ALA A 8 -2.516 5.021 -14.574 1.00 0.55 C ATOM 342 O ALA A 8 -3.333 4.489 -13.817 1.00 0.56 O ATOM 343 CB ALA A 8 -3.583 7.000 -15.678 1.00 0.57 C ATOM 0 H ALA A 8 -1.185 7.436 -16.096 1.00 0.55 H new ATOM 0 HA ALA A 8 -2.680 6.970 -13.747 1.00 0.54 H new ATOM 0 HB1 ALA A 8 -4.549 6.638 -15.326 1.00 0.57 H new ATOM 0 HB2 ALA A 8 -3.595 8.089 -15.714 1.00 0.57 H new ATOM 0 HB3 ALA A 8 -3.389 6.606 -16.676 1.00 0.57 H new ATOM 349 N ASP A 9 -1.611 4.327 -15.261 1.00 0.55 N ATOM 350 CA ASP A 9 -1.534 2.876 -15.132 1.00 0.57 C ATOM 351 C ASP A 9 -1.093 2.530 -13.722 1.00 0.54 C ATOM 352 O ASP A 9 -1.517 1.538 -13.128 1.00 0.55 O ATOM 353 CB ASP A 9 -0.540 2.277 -16.133 1.00 0.61 C ATOM 354 CG ASP A 9 -1.032 2.327 -17.564 1.00 0.93 C ATOM 355 OD1 ASP A 9 -1.932 1.531 -17.915 1.00 1.33 O ATOM 356 OD2 ASP A 9 -0.540 3.174 -18.337 1.00 1.37 O ATOM 0 H ASP A 9 -0.932 4.738 -15.902 1.00 0.55 H new ATOM 0 HA ASP A 9 -2.519 2.458 -15.341 1.00 0.57 H new ATOM 0 HB2 ASP A 9 0.406 2.814 -16.062 1.00 0.61 H new ATOM 0 HB3 ASP A 9 -0.339 1.241 -15.860 1.00 0.61 H new ATOM 361 N TYR A 10 -0.236 3.402 -13.202 1.00 0.52 N ATOM 362 CA TYR A 10 0.383 3.239 -11.901 1.00 0.50 C ATOM 363 C TYR A 10 -0.527 3.783 -10.805 1.00 0.49 C ATOM 364 O TYR A 10 -0.443 3.366 -9.652 1.00 0.51 O ATOM 365 CB TYR A 10 1.730 3.972 -11.898 1.00 0.52 C ATOM 366 CG TYR A 10 2.540 3.821 -10.631 1.00 0.53 C ATOM 367 CD1 TYR A 10 3.062 2.587 -10.260 1.00 0.59 C ATOM 368 CD2 TYR A 10 2.764 4.904 -9.793 1.00 0.59 C ATOM 369 CE1 TYR A 10 3.784 2.441 -9.091 1.00 0.66 C ATOM 370 CE2 TYR A 10 3.484 4.763 -8.623 1.00 0.66 C ATOM 371 CZ TYR A 10 4.072 3.555 -8.325 1.00 0.70 C ATOM 372 OH TYR A 10 4.711 3.393 -7.106 1.00 0.80 O ATOM 0 H TYR A 10 0.050 4.254 -13.684 1.00 0.52 H new ATOM 0 HA TYR A 10 0.546 2.179 -11.703 1.00 0.50 H new ATOM 0 HB2 TYR A 10 2.325 3.610 -12.736 1.00 0.52 H new ATOM 0 HB3 TYR A 10 1.549 5.033 -12.071 1.00 0.52 H new ATOM 0 HD1 TYR A 10 2.901 1.729 -10.896 1.00 0.59 H new ATOM 0 HD2 TYR A 10 2.369 5.873 -10.060 1.00 0.59 H new ATOM 0 HE1 TYR A 10 4.121 1.464 -8.778 1.00 0.66 H new ATOM 0 HE2 TYR A 10 3.585 5.597 -7.945 1.00 0.66 H new ATOM 0 HH TYR A 10 5.490 2.809 -7.220 1.00 0.80 H new ATOM 382 N ARG A 11 -1.406 4.716 -11.170 1.00 0.48 N ATOM 383 CA ARG A 11 -2.360 5.262 -10.210 1.00 0.49 C ATOM 384 C ARG A 11 -3.418 4.211 -9.891 1.00 0.50 C ATOM 385 O ARG A 11 -4.092 4.272 -8.866 1.00 0.54 O ATOM 386 CB ARG A 11 -3.026 6.532 -10.744 1.00 0.51 C ATOM 387 CG ARG A 11 -2.094 7.723 -10.901 1.00 0.48 C ATOM 388 CD ARG A 11 -2.794 8.873 -11.613 1.00 0.60 C ATOM 389 NE ARG A 11 -4.093 9.182 -11.012 1.00 0.88 N ATOM 390 CZ ARG A 11 -5.000 10.000 -11.553 1.00 1.19 C ATOM 391 NH1 ARG A 11 -4.764 10.596 -12.717 1.00 1.61 N ATOM 392 NH2 ARG A 11 -6.151 10.211 -10.929 1.00 1.73 N ATOM 0 H ARG A 11 -1.476 5.104 -12.111 1.00 0.48 H new ATOM 0 HA ARG A 11 -1.819 5.528 -9.302 1.00 0.49 H new ATOM 0 HB2 ARG A 11 -3.475 6.310 -11.712 1.00 0.51 H new ATOM 0 HB3 ARG A 11 -3.838 6.810 -10.072 1.00 0.51 H new ATOM 0 HG2 ARG A 11 -1.751 8.053 -9.920 1.00 0.48 H new ATOM 0 HG3 ARG A 11 -1.210 7.426 -11.465 1.00 0.48 H new ATOM 0 HD2 ARG A 11 -2.160 9.759 -11.581 1.00 0.60 H new ATOM 0 HD3 ARG A 11 -2.932 8.618 -12.664 1.00 0.60 H new ATOM 0 HE ARG A 11 -4.321 8.743 -10.120 1.00 0.88 H new ATOM 0 HH11 ARG A 11 -3.884 10.431 -13.206 1.00 1.61 H new ATOM 0 HH12 ARG A 11 -5.463 11.219 -13.122 1.00 1.61 H new ATOM 0 HH21 ARG A 11 -6.341 9.749 -10.039 1.00 1.73 H new ATOM 0 HH22 ARG A 11 -6.846 10.835 -11.339 1.00 1.73 H new ATOM 406 N ASP A 12 -3.538 3.246 -10.794 1.00 0.48 N ATOM 407 CA ASP A 12 -4.422 2.103 -10.610 1.00 0.50 C ATOM 408 C ASP A 12 -3.876 1.179 -9.529 1.00 0.52 C ATOM 409 O ASP A 12 -4.596 0.355 -8.971 1.00 0.62 O ATOM 410 CB ASP A 12 -4.552 1.338 -11.929 1.00 0.51 C ATOM 411 CG ASP A 12 -5.610 0.253 -11.875 1.00 0.76 C ATOM 412 OD1 ASP A 12 -6.804 0.586 -11.746 1.00 1.02 O ATOM 413 OD2 ASP A 12 -5.248 -0.942 -11.937 1.00 0.99 O ATOM 0 H ASP A 12 -3.025 3.234 -11.675 1.00 0.48 H new ATOM 0 HA ASP A 12 -5.403 2.462 -10.299 1.00 0.50 H new ATOM 0 HB2 ASP A 12 -4.796 2.038 -12.728 1.00 0.51 H new ATOM 0 HB3 ASP A 12 -3.591 0.890 -12.181 1.00 0.51 H new ATOM 418 N LEU A 13 -2.585 1.325 -9.247 1.00 0.50 N ATOM 419 CA LEU A 13 -1.921 0.537 -8.218 1.00 0.53 C ATOM 420 C LEU A 13 -1.866 1.316 -6.908 1.00 0.62 C ATOM 421 O LEU A 13 -1.135 0.955 -5.982 1.00 0.93 O ATOM 422 CB LEU A 13 -0.498 0.182 -8.662 1.00 0.49 C ATOM 423 CG LEU A 13 -0.384 -0.494 -10.032 1.00 0.44 C ATOM 424 CD1 LEU A 13 1.073 -0.729 -10.388 1.00 0.78 C ATOM 425 CD2 LEU A 13 -1.146 -1.806 -10.049 1.00 0.88 C ATOM 0 H LEU A 13 -1.974 1.989 -9.723 1.00 0.50 H new ATOM 0 HA LEU A 13 -2.490 -0.380 -8.064 1.00 0.53 H new ATOM 0 HB2 LEU A 13 0.098 1.095 -8.676 1.00 0.49 H new ATOM 0 HB3 LEU A 13 -0.056 -0.476 -7.914 1.00 0.49 H new ATOM 0 HG LEU A 13 -0.824 0.170 -10.776 1.00 0.44 H new ATOM 0 HD11 LEU A 13 1.136 -1.210 -11.364 1.00 0.78 H new ATOM 0 HD12 LEU A 13 1.598 0.225 -10.419 1.00 0.78 H new ATOM 0 HD13 LEU A 13 1.532 -1.372 -9.637 1.00 0.78 H new ATOM 0 HD21 LEU A 13 -1.052 -2.269 -11.031 1.00 0.88 H new ATOM 0 HD22 LEU A 13 -0.736 -2.475 -9.292 1.00 0.88 H new ATOM 0 HD23 LEU A 13 -2.198 -1.618 -9.836 1.00 0.88 H new ATOM 437 N MET A 14 -2.627 2.397 -6.838 1.00 0.55 N ATOM 438 CA MET A 14 -2.670 3.222 -5.642 1.00 0.64 C ATOM 439 C MET A 14 -3.909 2.908 -4.820 1.00 0.55 C ATOM 440 O MET A 14 -5.024 2.905 -5.346 1.00 0.53 O ATOM 441 CB MET A 14 -2.671 4.710 -5.997 1.00 0.82 C ATOM 442 CG MET A 14 -1.350 5.235 -6.532 1.00 0.97 C ATOM 443 SD MET A 14 -1.391 7.022 -6.782 1.00 1.15 S ATOM 444 CE MET A 14 0.281 7.351 -7.329 1.00 1.04 C ATOM 0 H MET A 14 -3.224 2.724 -7.598 1.00 0.55 H new ATOM 0 HA MET A 14 -1.777 2.997 -5.059 1.00 0.64 H new ATOM 0 HB2 MET A 14 -3.447 4.892 -6.741 1.00 0.82 H new ATOM 0 HB3 MET A 14 -2.941 5.281 -5.109 1.00 0.82 H new ATOM 0 HG2 MET A 14 -0.550 4.984 -5.836 1.00 0.97 H new ATOM 0 HG3 MET A 14 -1.118 4.741 -7.476 1.00 0.97 H new ATOM 0 HE1 MET A 14 0.312 8.308 -7.849 1.00 1.04 H new ATOM 0 HE2 MET A 14 0.946 7.385 -6.466 1.00 1.04 H new ATOM 0 HE3 MET A 14 0.605 6.560 -8.006 1.00 1.04 H new ATOM 454 N PRO A 15 -3.734 2.641 -3.519 1.00 0.62 N ATOM 455 CA PRO A 15 -4.857 2.420 -2.606 1.00 0.67 C ATOM 456 C PRO A 15 -5.725 3.671 -2.504 1.00 0.59 C ATOM 457 O PRO A 15 -5.211 4.791 -2.429 1.00 0.57 O ATOM 458 CB PRO A 15 -4.184 2.113 -1.262 1.00 0.88 C ATOM 459 CG PRO A 15 -2.796 2.643 -1.382 1.00 0.90 C ATOM 460 CD PRO A 15 -2.434 2.540 -2.836 1.00 0.74 C ATOM 0 HA PRO A 15 -5.519 1.620 -2.938 1.00 0.67 H new ATOM 0 HB2 PRO A 15 -4.716 2.589 -0.439 1.00 0.88 H new ATOM 0 HB3 PRO A 15 -4.179 1.042 -1.061 1.00 0.88 H new ATOM 0 HG2 PRO A 15 -2.743 3.676 -1.040 1.00 0.90 H new ATOM 0 HG3 PRO A 15 -2.105 2.067 -0.767 1.00 0.90 H new ATOM 0 HD2 PRO A 15 -1.758 3.339 -3.139 1.00 0.74 H new ATOM 0 HD3 PRO A 15 -1.935 1.597 -3.060 1.00 0.74 H new ATOM 468 N PRO A 16 -7.062 3.483 -2.519 1.00 0.65 N ATOM 469 CA PRO A 16 -8.043 4.581 -2.536 1.00 0.70 C ATOM 470 C PRO A 16 -7.801 5.634 -1.461 1.00 0.71 C ATOM 471 O PRO A 16 -8.132 6.803 -1.653 1.00 0.74 O ATOM 472 CB PRO A 16 -9.375 3.874 -2.296 1.00 0.85 C ATOM 473 CG PRO A 16 -9.165 2.494 -2.807 1.00 0.96 C ATOM 474 CD PRO A 16 -7.725 2.163 -2.528 1.00 0.76 C ATOM 0 HA PRO A 16 -7.992 5.136 -3.473 1.00 0.70 H new ATOM 0 HB2 PRO A 16 -9.636 3.869 -1.238 1.00 0.85 H new ATOM 0 HB3 PRO A 16 -10.189 4.372 -2.823 1.00 0.85 H new ATOM 0 HG2 PRO A 16 -9.831 1.788 -2.310 1.00 0.96 H new ATOM 0 HG3 PRO A 16 -9.379 2.436 -3.874 1.00 0.96 H new ATOM 0 HD2 PRO A 16 -7.609 1.649 -1.574 1.00 0.76 H new ATOM 0 HD3 PRO A 16 -7.308 1.510 -3.294 1.00 0.76 H new ATOM 482 N GLU A 17 -7.226 5.219 -0.340 1.00 0.78 N ATOM 483 CA GLU A 17 -6.894 6.139 0.738 1.00 0.89 C ATOM 484 C GLU A 17 -5.835 7.136 0.274 1.00 0.84 C ATOM 485 O GLU A 17 -6.000 8.347 0.411 1.00 1.13 O ATOM 486 CB GLU A 17 -6.381 5.376 1.967 1.00 1.09 C ATOM 487 CG GLU A 17 -7.411 4.462 2.629 1.00 1.48 C ATOM 488 CD GLU A 17 -7.862 3.320 1.739 1.00 1.36 C ATOM 489 OE1 GLU A 17 -7.003 2.705 1.073 1.00 1.65 O ATOM 490 OE2 GLU A 17 -9.074 3.018 1.714 1.00 1.83 O ATOM 0 H GLU A 17 -6.979 4.247 -0.154 1.00 0.78 H new ATOM 0 HA GLU A 17 -7.800 6.678 1.014 1.00 0.89 H new ATOM 0 HB2 GLU A 17 -5.520 4.776 1.672 1.00 1.09 H new ATOM 0 HB3 GLU A 17 -6.029 6.097 2.704 1.00 1.09 H new ATOM 0 HG2 GLU A 17 -6.987 4.053 3.546 1.00 1.48 H new ATOM 0 HG3 GLU A 17 -8.280 5.054 2.916 1.00 1.48 H new ATOM 497 N ALA A 18 -4.763 6.616 -0.308 1.00 0.72 N ATOM 498 CA ALA A 18 -3.666 7.449 -0.784 1.00 0.73 C ATOM 499 C ALA A 18 -4.112 8.312 -1.958 1.00 0.62 C ATOM 500 O ALA A 18 -3.603 9.417 -2.163 1.00 0.72 O ATOM 501 CB ALA A 18 -2.479 6.584 -1.179 1.00 0.82 C ATOM 0 H ALA A 18 -4.629 5.617 -0.463 1.00 0.72 H new ATOM 0 HA ALA A 18 -3.361 8.110 0.027 1.00 0.73 H new ATOM 0 HB1 ALA A 18 -1.667 7.220 -1.533 1.00 0.82 H new ATOM 0 HB2 ALA A 18 -2.142 6.012 -0.314 1.00 0.82 H new ATOM 0 HB3 ALA A 18 -2.776 5.899 -1.973 1.00 0.82 H new ATOM 507 N ARG A 19 -5.073 7.805 -2.723 1.00 0.52 N ATOM 508 CA ARG A 19 -5.604 8.539 -3.863 1.00 0.49 C ATOM 509 C ARG A 19 -6.388 9.755 -3.392 1.00 0.50 C ATOM 510 O ARG A 19 -6.217 10.846 -3.923 1.00 0.52 O ATOM 511 CB ARG A 19 -6.503 7.649 -4.723 1.00 0.52 C ATOM 512 CG ARG A 19 -5.827 6.374 -5.199 1.00 0.64 C ATOM 513 CD ARG A 19 -6.639 5.671 -6.276 1.00 0.72 C ATOM 514 NE ARG A 19 -8.034 5.469 -5.886 1.00 1.01 N ATOM 515 CZ ARG A 19 -8.777 4.436 -6.283 1.00 1.43 C ATOM 516 NH1 ARG A 19 -8.252 3.488 -7.049 1.00 1.46 N ATOM 517 NH2 ARG A 19 -10.050 4.352 -5.915 1.00 2.16 N ATOM 0 H ARG A 19 -5.499 6.890 -2.574 1.00 0.52 H new ATOM 0 HA ARG A 19 -4.760 8.867 -4.469 1.00 0.49 H new ATOM 0 HB2 ARG A 19 -7.393 7.386 -4.151 1.00 0.52 H new ATOM 0 HB3 ARG A 19 -6.838 8.217 -5.591 1.00 0.52 H new ATOM 0 HG2 ARG A 19 -4.837 6.611 -5.588 1.00 0.64 H new ATOM 0 HG3 ARG A 19 -5.685 5.701 -4.354 1.00 0.64 H new ATOM 0 HD2 ARG A 19 -6.603 6.258 -7.194 1.00 0.72 H new ATOM 0 HD3 ARG A 19 -6.184 4.706 -6.497 1.00 0.72 H new ATOM 0 HE ARG A 19 -8.465 6.161 -5.273 1.00 1.01 H new ATOM 0 HH11 ARG A 19 -7.275 3.548 -7.337 1.00 1.46 H new ATOM 0 HH12 ARG A 19 -8.825 2.700 -7.350 1.00 1.46 H new ATOM 0 HH21 ARG A 19 -10.460 5.078 -5.328 1.00 2.16 H new ATOM 0 HH22 ARG A 19 -10.618 3.561 -6.219 1.00 2.16 H new ATOM 531 N ASP A 20 -7.238 9.553 -2.385 1.00 0.53 N ATOM 532 CA ASP A 20 -8.066 10.629 -1.831 1.00 0.57 C ATOM 533 C ASP A 20 -7.220 11.832 -1.428 1.00 0.56 C ATOM 534 O ASP A 20 -7.605 12.981 -1.650 1.00 0.57 O ATOM 535 CB ASP A 20 -8.853 10.132 -0.617 1.00 0.63 C ATOM 536 CG ASP A 20 -9.718 11.222 -0.012 1.00 0.80 C ATOM 537 OD1 ASP A 20 -10.831 11.457 -0.529 1.00 1.06 O ATOM 538 OD2 ASP A 20 -9.292 11.848 0.980 1.00 0.98 O ATOM 0 H ASP A 20 -7.373 8.649 -1.933 1.00 0.53 H new ATOM 0 HA ASP A 20 -8.761 10.939 -2.612 1.00 0.57 H new ATOM 0 HB2 ASP A 20 -9.482 9.293 -0.912 1.00 0.63 H new ATOM 0 HB3 ASP A 20 -8.159 9.760 0.137 1.00 0.63 H new ATOM 543 N PHE A 21 -6.069 11.555 -0.827 1.00 0.57 N ATOM 544 CA PHE A 21 -5.125 12.593 -0.432 1.00 0.57 C ATOM 545 C PHE A 21 -4.639 13.393 -1.647 1.00 0.55 C ATOM 546 O PHE A 21 -4.995 14.560 -1.784 1.00 0.64 O ATOM 547 CB PHE A 21 -3.953 11.978 0.339 1.00 0.60 C ATOM 548 CG PHE A 21 -3.120 12.977 1.094 1.00 0.59 C ATOM 549 CD1 PHE A 21 -3.607 13.581 2.243 1.00 0.62 C ATOM 550 CD2 PHE A 21 -1.854 13.320 0.647 1.00 0.64 C ATOM 551 CE1 PHE A 21 -2.845 14.507 2.931 1.00 0.65 C ATOM 552 CE2 PHE A 21 -1.087 14.244 1.331 1.00 0.65 C ATOM 553 CZ PHE A 21 -1.579 14.810 2.510 1.00 0.63 C ATOM 0 H PHE A 21 -5.765 10.608 -0.600 1.00 0.57 H new ATOM 0 HA PHE A 21 -5.638 13.292 0.229 1.00 0.57 H new ATOM 0 HB2 PHE A 21 -4.342 11.241 1.042 1.00 0.60 H new ATOM 0 HB3 PHE A 21 -3.312 11.443 -0.362 1.00 0.60 H new ATOM 0 HD1 PHE A 21 -4.592 13.325 2.604 1.00 0.62 H new ATOM 0 HD2 PHE A 21 -1.462 12.859 -0.248 1.00 0.64 H new ATOM 0 HE1 PHE A 21 -3.251 14.994 3.805 1.00 0.65 H new ATOM 0 HE2 PHE A 21 -0.114 14.527 0.957 1.00 0.65 H new ATOM 0 HZ PHE A 21 -0.963 15.484 3.086 1.00 0.63 H new ATOM 563 N LEU A 22 -3.870 12.800 -2.544 1.00 0.56 N ATOM 564 CA LEU A 22 -3.345 13.565 -3.682 1.00 0.55 C ATOM 565 C LEU A 22 -4.444 13.941 -4.678 1.00 0.54 C ATOM 566 O LEU A 22 -4.193 14.683 -5.625 1.00 0.57 O ATOM 567 CB LEU A 22 -2.202 12.833 -4.384 1.00 0.56 C ATOM 568 CG LEU A 22 -0.889 12.773 -3.608 1.00 0.65 C ATOM 569 CD1 LEU A 22 0.150 11.977 -4.386 1.00 1.04 C ATOM 570 CD2 LEU A 22 -0.385 14.181 -3.318 1.00 1.13 C ATOM 0 H LEU A 22 -3.596 11.818 -2.518 1.00 0.56 H new ATOM 0 HA LEU A 22 -2.943 14.491 -3.271 1.00 0.55 H new ATOM 0 HB2 LEU A 22 -2.524 11.814 -4.600 1.00 0.56 H new ATOM 0 HB3 LEU A 22 -2.016 13.318 -5.342 1.00 0.56 H new ATOM 0 HG LEU A 22 -1.064 12.268 -2.658 1.00 0.65 H new ATOM 0 HD11 LEU A 22 1.081 11.943 -3.820 1.00 1.04 H new ATOM 0 HD12 LEU A 22 -0.214 10.962 -4.547 1.00 1.04 H new ATOM 0 HD13 LEU A 22 0.328 12.455 -5.349 1.00 1.04 H new ATOM 0 HD21 LEU A 22 0.552 14.125 -2.764 1.00 1.13 H new ATOM 0 HD22 LEU A 22 -0.220 14.709 -4.257 1.00 1.13 H new ATOM 0 HD23 LEU A 22 -1.126 14.718 -2.725 1.00 1.13 H new ATOM 582 N GLN A 23 -5.643 13.430 -4.476 1.00 0.52 N ATOM 583 CA GLN A 23 -6.829 13.982 -5.115 1.00 0.52 C ATOM 584 C GLN A 23 -7.099 15.410 -4.622 1.00 0.53 C ATOM 585 O GLN A 23 -7.215 16.338 -5.425 1.00 0.54 O ATOM 586 CB GLN A 23 -8.031 13.079 -4.814 1.00 0.53 C ATOM 587 CG GLN A 23 -9.314 13.468 -5.533 1.00 0.78 C ATOM 588 CD GLN A 23 -10.274 14.232 -4.644 1.00 1.38 C ATOM 589 OE1 GLN A 23 -10.261 15.461 -4.597 1.00 2.05 O ATOM 590 NE2 GLN A 23 -11.110 13.505 -3.922 1.00 2.06 N ATOM 0 H GLN A 23 -5.825 12.629 -3.871 1.00 0.52 H new ATOM 0 HA GLN A 23 -6.665 14.024 -6.192 1.00 0.52 H new ATOM 0 HB2 GLN A 23 -7.775 12.055 -5.084 1.00 0.53 H new ATOM 0 HB3 GLN A 23 -8.215 13.089 -3.740 1.00 0.53 H new ATOM 0 HG2 GLN A 23 -9.068 14.077 -6.403 1.00 0.78 H new ATOM 0 HG3 GLN A 23 -9.806 12.568 -5.903 1.00 0.78 H new ATOM 0 HE21 GLN A 23 -11.090 12.487 -3.989 1.00 2.06 H new ATOM 0 HE22 GLN A 23 -11.775 13.962 -3.298 1.00 2.06 H new ATOM 599 N ASN A 24 -7.172 15.589 -3.301 1.00 0.58 N ATOM 600 CA ASN A 24 -7.565 16.881 -2.730 1.00 0.65 C ATOM 601 C ASN A 24 -6.408 17.876 -2.686 1.00 0.60 C ATOM 602 O ASN A 24 -6.636 19.084 -2.800 1.00 0.63 O ATOM 603 CB ASN A 24 -8.204 16.733 -1.336 1.00 0.85 C ATOM 604 CG ASN A 24 -7.225 16.383 -0.229 1.00 1.10 C ATOM 605 OD1 ASN A 24 -6.596 17.259 0.366 1.00 1.84 O ATOM 606 ND2 ASN A 24 -7.119 15.104 0.086 1.00 1.21 N ATOM 0 H ASN A 24 -6.967 14.865 -2.613 1.00 0.58 H new ATOM 0 HA ASN A 24 -8.321 17.284 -3.404 1.00 0.65 H new ATOM 0 HB2 ASN A 24 -8.705 17.666 -1.079 1.00 0.85 H new ATOM 0 HB3 ASN A 24 -8.972 15.961 -1.382 1.00 0.85 H new ATOM 0 HD21 ASN A 24 -6.501 14.815 0.844 1.00 1.21 H new ATOM 0 HD22 ASN A 24 -7.656 14.406 -0.429 1.00 1.21 H new ATOM 613 N LEU A 25 -5.178 17.403 -2.516 1.00 0.60 N ATOM 614 CA LEU A 25 -4.028 18.284 -2.604 1.00 0.65 C ATOM 615 C LEU A 25 -3.995 19.006 -3.942 1.00 0.64 C ATOM 616 O LEU A 25 -4.123 18.402 -5.006 1.00 0.64 O ATOM 617 CB LEU A 25 -2.727 17.518 -2.389 1.00 0.76 C ATOM 618 CG LEU A 25 -2.354 17.233 -0.940 1.00 0.59 C ATOM 619 CD1 LEU A 25 -2.113 18.521 -0.196 1.00 0.81 C ATOM 620 CD2 LEU A 25 -3.414 16.436 -0.230 1.00 1.05 C ATOM 0 H LEU A 25 -4.957 16.427 -2.319 1.00 0.60 H new ATOM 0 HA LEU A 25 -4.124 19.026 -1.811 1.00 0.65 H new ATOM 0 HB2 LEU A 25 -2.795 16.568 -2.920 1.00 0.76 H new ATOM 0 HB3 LEU A 25 -1.916 18.082 -2.848 1.00 0.76 H new ATOM 0 HG LEU A 25 -1.440 16.640 -0.957 1.00 0.59 H new ATOM 0 HD11 LEU A 25 -1.848 18.300 0.838 1.00 0.81 H new ATOM 0 HD12 LEU A 25 -1.299 19.068 -0.671 1.00 0.81 H new ATOM 0 HD13 LEU A 25 -3.018 19.128 -0.216 1.00 0.81 H new ATOM 0 HD21 LEU A 25 -3.105 16.256 0.800 1.00 1.05 H new ATOM 0 HD22 LEU A 25 -4.352 16.991 -0.236 1.00 1.05 H new ATOM 0 HD23 LEU A 25 -3.554 15.482 -0.739 1.00 1.05 H new ATOM 632 N SER A 26 -3.809 20.311 -3.858 1.00 0.73 N ATOM 633 CA SER A 26 -3.820 21.173 -5.020 1.00 0.83 C ATOM 634 C SER A 26 -2.515 21.959 -5.079 1.00 1.02 C ATOM 635 O SER A 26 -1.673 21.814 -4.191 1.00 1.78 O ATOM 636 CB SER A 26 -5.024 22.111 -4.952 1.00 0.93 C ATOM 637 OG SER A 26 -6.221 21.373 -4.752 1.00 1.72 O ATOM 0 H SER A 26 -3.646 20.801 -2.979 1.00 0.73 H new ATOM 0 HA SER A 26 -3.905 20.575 -5.927 1.00 0.83 H new ATOM 0 HB2 SER A 26 -4.890 22.825 -4.139 1.00 0.93 H new ATOM 0 HB3 SER A 26 -5.095 22.688 -5.874 1.00 0.93 H new ATOM 0 HG SER A 26 -6.982 21.989 -4.709 1.00 1.72 H new ATOM 643 N ASP A 27 -2.352 22.782 -6.109 1.00 0.96 N ATOM 644 CA ASP A 27 -1.106 23.522 -6.333 1.00 1.11 C ATOM 645 C ASP A 27 -0.674 24.287 -5.086 1.00 1.13 C ATOM 646 O ASP A 27 0.487 24.217 -4.672 1.00 1.95 O ATOM 647 CB ASP A 27 -1.265 24.498 -7.504 1.00 1.42 C ATOM 648 CG ASP A 27 -1.461 23.806 -8.841 1.00 1.84 C ATOM 649 OD1 ASP A 27 -2.360 22.940 -8.952 1.00 2.19 O ATOM 650 OD2 ASP A 27 -0.734 24.147 -9.799 1.00 2.39 O ATOM 0 H ASP A 27 -3.072 22.957 -6.810 1.00 0.96 H new ATOM 0 HA ASP A 27 -0.333 22.791 -6.571 1.00 1.11 H new ATOM 0 HB2 ASP A 27 -2.118 25.149 -7.312 1.00 1.42 H new ATOM 0 HB3 ASP A 27 -0.383 25.136 -7.559 1.00 1.42 H new ATOM 655 N GLY A 28 -1.620 24.998 -4.480 1.00 0.93 N ATOM 656 CA GLY A 28 -1.324 25.773 -3.290 1.00 0.87 C ATOM 657 C GLY A 28 -0.874 24.906 -2.128 1.00 0.75 C ATOM 658 O GLY A 28 0.146 25.186 -1.498 1.00 0.73 O ATOM 0 H GLY A 28 -2.589 25.051 -4.794 1.00 0.93 H new ATOM 0 HA2 GLY A 28 -0.545 26.501 -3.519 1.00 0.87 H new ATOM 0 HA3 GLY A 28 -2.210 26.336 -2.997 1.00 0.87 H new ATOM 662 N ASP A 29 -1.624 23.845 -1.856 1.00 0.70 N ATOM 663 CA ASP A 29 -1.318 22.947 -0.742 1.00 0.67 C ATOM 664 C ASP A 29 -0.004 22.214 -0.977 1.00 0.59 C ATOM 665 O ASP A 29 0.821 22.105 -0.078 1.00 0.60 O ATOM 666 CB ASP A 29 -2.431 21.917 -0.543 1.00 0.80 C ATOM 667 CG ASP A 29 -3.797 22.536 -0.343 1.00 1.47 C ATOM 668 OD1 ASP A 29 -4.117 22.945 0.796 1.00 1.74 O ATOM 669 OD2 ASP A 29 -4.565 22.595 -1.327 1.00 2.25 O ATOM 0 H ASP A 29 -2.451 23.582 -2.392 1.00 0.70 H new ATOM 0 HA ASP A 29 -1.234 23.563 0.153 1.00 0.67 H new ATOM 0 HB2 ASP A 29 -2.463 21.257 -1.410 1.00 0.80 H new ATOM 0 HB3 ASP A 29 -2.192 21.297 0.321 1.00 0.80 H new ATOM 674 N LYS A 30 0.190 21.725 -2.195 1.00 0.63 N ATOM 675 CA LYS A 30 1.391 20.963 -2.538 1.00 0.65 C ATOM 676 C LYS A 30 2.651 21.805 -2.382 1.00 0.61 C ATOM 677 O LYS A 30 3.756 21.273 -2.295 1.00 0.65 O ATOM 678 CB LYS A 30 1.298 20.432 -3.965 1.00 0.78 C ATOM 679 CG LYS A 30 0.249 19.352 -4.140 1.00 0.92 C ATOM 680 CD LYS A 30 0.072 18.993 -5.601 1.00 0.89 C ATOM 681 CE LYS A 30 -0.931 17.870 -5.780 1.00 0.96 C ATOM 682 NZ LYS A 30 -1.197 17.610 -7.218 1.00 1.31 N ATOM 0 H LYS A 30 -0.468 21.841 -2.965 1.00 0.63 H new ATOM 0 HA LYS A 30 1.454 20.124 -1.845 1.00 0.65 H new ATOM 0 HB2 LYS A 30 1.073 21.259 -4.638 1.00 0.78 H new ATOM 0 HB3 LYS A 30 2.269 20.036 -4.261 1.00 0.78 H new ATOM 0 HG2 LYS A 30 0.539 18.465 -3.577 1.00 0.92 H new ATOM 0 HG3 LYS A 30 -0.701 19.694 -3.729 1.00 0.92 H new ATOM 0 HD2 LYS A 30 -0.261 19.871 -6.155 1.00 0.89 H new ATOM 0 HD3 LYS A 30 1.032 18.695 -6.022 1.00 0.89 H new ATOM 0 HE2 LYS A 30 -0.553 16.963 -5.308 1.00 0.96 H new ATOM 0 HE3 LYS A 30 -1.863 18.127 -5.276 1.00 0.96 H new ATOM 0 HZ1 LYS A 30 -1.502 16.623 -7.342 1.00 1.31 H new ATOM 0 HZ2 LYS A 30 -1.946 18.249 -7.554 1.00 1.31 H new ATOM 0 HZ3 LYS A 30 -0.329 17.775 -7.767 1.00 1.31 H new ATOM 696 N THR A 31 2.477 23.117 -2.332 1.00 0.60 N ATOM 697 CA THR A 31 3.589 24.022 -2.120 1.00 0.61 C ATOM 698 C THR A 31 4.183 23.797 -0.738 1.00 0.52 C ATOM 699 O THR A 31 5.399 23.731 -0.565 1.00 0.54 O ATOM 700 CB THR A 31 3.127 25.483 -2.220 1.00 0.68 C ATOM 701 OG1 THR A 31 2.468 25.710 -3.477 1.00 0.80 O ATOM 702 CG2 THR A 31 4.302 26.438 -2.075 1.00 0.76 C ATOM 0 H THR A 31 1.572 23.577 -2.436 1.00 0.60 H new ATOM 0 HA THR A 31 4.336 23.825 -2.889 1.00 0.61 H new ATOM 0 HB THR A 31 2.427 25.672 -1.406 1.00 0.68 H new ATOM 0 HG1 THR A 31 1.703 25.103 -3.560 1.00 0.80 H new ATOM 0 HG21 THR A 31 3.947 27.466 -2.150 1.00 0.76 H new ATOM 0 HG22 THR A 31 4.776 26.287 -1.105 1.00 0.76 H new ATOM 0 HG23 THR A 31 5.027 26.246 -2.866 1.00 0.76 H new ATOM 710 N VAL A 32 3.301 23.654 0.240 1.00 0.50 N ATOM 711 CA VAL A 32 3.717 23.507 1.616 1.00 0.50 C ATOM 712 C VAL A 32 4.172 22.068 1.877 1.00 0.47 C ATOM 713 O VAL A 32 5.037 21.827 2.719 1.00 0.48 O ATOM 714 CB VAL A 32 2.586 23.930 2.580 1.00 0.57 C ATOM 715 CG1 VAL A 32 1.568 22.830 2.756 1.00 0.60 C ATOM 716 CG2 VAL A 32 3.152 24.355 3.915 1.00 0.85 C ATOM 0 H VAL A 32 2.291 23.637 0.100 1.00 0.50 H new ATOM 0 HA VAL A 32 4.564 24.168 1.801 1.00 0.50 H new ATOM 0 HB VAL A 32 2.075 24.784 2.135 1.00 0.57 H new ATOM 0 HG11 VAL A 32 0.788 23.163 3.440 1.00 0.60 H new ATOM 0 HG12 VAL A 32 1.125 22.587 1.790 1.00 0.60 H new ATOM 0 HG13 VAL A 32 2.056 21.945 3.165 1.00 0.60 H new ATOM 0 HG21 VAL A 32 2.338 24.649 4.578 1.00 0.85 H new ATOM 0 HG22 VAL A 32 3.700 23.524 4.359 1.00 0.85 H new ATOM 0 HG23 VAL A 32 3.826 25.199 3.772 1.00 0.85 H new ATOM 720 N LEU A 33 3.589 21.113 1.140 1.00 0.48 N ATOM 721 CA LEU A 33 4.084 19.738 1.122 1.00 0.49 C ATOM 722 C LEU A 33 5.561 19.716 0.745 1.00 0.50 C ATOM 723 O LEU A 33 6.357 18.994 1.342 1.00 0.54 O ATOM 724 CB LEU A 33 3.300 18.886 0.109 1.00 0.53 C ATOM 725 CG LEU A 33 2.038 18.177 0.623 1.00 0.58 C ATOM 726 CD1 LEU A 33 2.377 17.236 1.760 1.00 0.98 C ATOM 727 CD2 LEU A 33 0.967 19.160 1.055 1.00 0.74 C ATOM 0 H LEU A 33 2.773 21.272 0.549 1.00 0.48 H new ATOM 0 HA LEU A 33 3.949 19.322 2.120 1.00 0.49 H new ATOM 0 HB2 LEU A 33 3.012 19.528 -0.723 1.00 0.53 H new ATOM 0 HB3 LEU A 33 3.975 18.129 -0.291 1.00 0.53 H new ATOM 0 HG LEU A 33 1.636 17.598 -0.208 1.00 0.58 H new ATOM 0 HD11 LEU A 33 1.469 16.745 2.109 1.00 0.98 H new ATOM 0 HD12 LEU A 33 3.085 16.484 1.411 1.00 0.98 H new ATOM 0 HD13 LEU A 33 2.821 17.801 2.580 1.00 0.98 H new ATOM 0 HD21 LEU A 33 0.094 18.613 1.411 1.00 0.74 H new ATOM 0 HD22 LEU A 33 1.353 19.789 1.857 1.00 0.74 H new ATOM 0 HD23 LEU A 33 0.684 19.785 0.208 1.00 0.74 H new ATOM 739 N LYS A 34 5.912 20.527 -0.245 1.00 0.51 N ATOM 740 CA LYS A 34 7.280 20.612 -0.740 1.00 0.56 C ATOM 741 C LYS A 34 8.227 21.119 0.349 1.00 0.53 C ATOM 742 O LYS A 34 9.402 20.761 0.377 1.00 0.59 O ATOM 743 CB LYS A 34 7.315 21.529 -1.971 1.00 0.65 C ATOM 744 CG LYS A 34 8.705 21.826 -2.511 1.00 0.93 C ATOM 745 CD LYS A 34 8.635 22.786 -3.687 1.00 0.89 C ATOM 746 CE LYS A 34 10.016 23.210 -4.159 1.00 1.70 C ATOM 747 NZ LYS A 34 10.816 22.063 -4.657 1.00 2.41 N ATOM 0 H LYS A 34 5.258 21.143 -0.727 1.00 0.51 H new ATOM 0 HA LYS A 34 7.620 19.616 -1.026 1.00 0.56 H new ATOM 0 HB2 LYS A 34 6.724 21.071 -2.764 1.00 0.65 H new ATOM 0 HB3 LYS A 34 6.831 22.472 -1.717 1.00 0.65 H new ATOM 0 HG2 LYS A 34 9.322 22.255 -1.722 1.00 0.93 H new ATOM 0 HG3 LYS A 34 9.185 20.898 -2.822 1.00 0.93 H new ATOM 0 HD2 LYS A 34 8.100 22.312 -4.510 1.00 0.89 H new ATOM 0 HD3 LYS A 34 8.063 23.669 -3.401 1.00 0.89 H new ATOM 0 HE2 LYS A 34 9.915 23.952 -4.951 1.00 1.70 H new ATOM 0 HE3 LYS A 34 10.547 23.691 -3.338 1.00 1.70 H new ATOM 0 HZ1 LYS A 34 11.716 22.410 -5.046 1.00 2.41 H new ATOM 0 HZ2 LYS A 34 11.008 21.407 -3.873 1.00 2.41 H new ATOM 0 HZ3 LYS A 34 10.286 21.567 -5.401 1.00 2.41 H new ATOM 761 N GLU A 35 7.703 21.932 1.251 1.00 0.47 N ATOM 762 CA GLU A 35 8.492 22.463 2.352 1.00 0.47 C ATOM 763 C GLU A 35 8.669 21.415 3.447 1.00 0.46 C ATOM 764 O GLU A 35 9.624 21.462 4.220 1.00 0.57 O ATOM 765 CB GLU A 35 7.829 23.711 2.922 1.00 0.47 C ATOM 766 CG GLU A 35 7.630 24.817 1.900 1.00 0.61 C ATOM 767 CD GLU A 35 7.200 26.118 2.540 1.00 1.26 C ATOM 768 OE1 GLU A 35 6.195 26.121 3.280 1.00 1.47 O ATOM 769 OE2 GLU A 35 7.845 27.155 2.282 1.00 1.96 O ATOM 0 H GLU A 35 6.731 22.240 1.243 1.00 0.47 H new ATOM 0 HA GLU A 35 9.477 22.729 1.969 1.00 0.47 H new ATOM 0 HB2 GLU A 35 6.861 23.438 3.342 1.00 0.47 H new ATOM 0 HB3 GLU A 35 8.437 24.092 3.743 1.00 0.47 H new ATOM 0 HG2 GLU A 35 8.559 24.974 1.352 1.00 0.61 H new ATOM 0 HG3 GLU A 35 6.879 24.507 1.173 1.00 0.61 H new ATOM 776 N VAL A 36 7.739 20.476 3.508 1.00 0.41 N ATOM 777 CA VAL A 36 7.818 19.362 4.447 1.00 0.42 C ATOM 778 C VAL A 36 8.750 18.281 3.899 1.00 0.50 C ATOM 779 O VAL A 36 9.747 17.911 4.519 1.00 0.62 O ATOM 780 CB VAL A 36 6.411 18.766 4.698 1.00 0.43 C ATOM 781 CG1 VAL A 36 6.481 17.509 5.548 1.00 0.98 C ATOM 782 CG2 VAL A 36 5.504 19.799 5.351 1.00 0.74 C ATOM 0 H VAL A 36 6.911 20.461 2.913 1.00 0.41 H new ATOM 0 HA VAL A 36 8.215 19.732 5.392 1.00 0.42 H new ATOM 0 HB VAL A 36 5.991 18.490 3.731 1.00 0.43 H new ATOM 0 HG11 VAL A 36 5.475 17.119 5.704 1.00 0.98 H new ATOM 0 HG12 VAL A 36 7.087 16.759 5.039 1.00 0.98 H new ATOM 0 HG13 VAL A 36 6.931 17.746 6.512 1.00 0.98 H new ATOM 0 HG21 VAL A 36 4.519 19.363 5.520 1.00 0.74 H new ATOM 0 HG22 VAL A 36 5.932 20.109 6.304 1.00 0.74 H new ATOM 0 HG23 VAL A 36 5.410 20.666 4.697 1.00 0.74 H new ATOM 786 N PHE A 37 8.410 17.810 2.712 1.00 0.49 N ATOM 787 CA PHE A 37 9.189 16.822 1.980 1.00 0.54 C ATOM 788 C PHE A 37 10.646 17.210 1.770 1.00 0.59 C ATOM 789 O PHE A 37 11.532 16.368 1.919 1.00 0.66 O ATOM 790 CB PHE A 37 8.514 16.570 0.637 1.00 0.57 C ATOM 791 CG PHE A 37 7.472 15.495 0.762 1.00 0.57 C ATOM 792 CD1 PHE A 37 6.182 15.813 1.151 1.00 0.74 C ATOM 793 CD2 PHE A 37 7.766 14.178 0.445 1.00 0.66 C ATOM 794 CE1 PHE A 37 5.206 14.839 1.229 1.00 0.83 C ATOM 795 CE2 PHE A 37 6.793 13.201 0.515 1.00 0.68 C ATOM 796 CZ PHE A 37 5.583 13.482 1.078 1.00 0.71 C ATOM 0 H PHE A 37 7.568 18.108 2.219 1.00 0.49 H new ATOM 0 HA PHE A 37 9.214 15.918 2.588 1.00 0.54 H new ATOM 0 HB2 PHE A 37 8.054 17.490 0.277 1.00 0.57 H new ATOM 0 HB3 PHE A 37 9.260 16.277 -0.102 1.00 0.57 H new ATOM 0 HD1 PHE A 37 5.936 16.835 1.397 1.00 0.74 H new ATOM 0 HD2 PHE A 37 8.768 13.913 0.140 1.00 0.66 H new ATOM 0 HE1 PHE A 37 4.174 15.107 1.402 1.00 0.83 H new ATOM 0 HE2 PHE A 37 6.990 12.214 0.124 1.00 0.68 H new ATOM 0 HZ PHE A 37 4.927 12.688 1.402 1.00 0.71 H new ATOM 806 N LYS A 38 10.916 18.466 1.423 1.00 0.60 N ATOM 807 CA LYS A 38 12.294 18.869 1.157 1.00 0.69 C ATOM 808 C LYS A 38 13.009 19.273 2.436 1.00 0.78 C ATOM 809 O LYS A 38 14.131 19.785 2.404 1.00 1.02 O ATOM 810 CB LYS A 38 12.373 19.976 0.102 1.00 0.75 C ATOM 811 CG LYS A 38 12.064 19.510 -1.319 1.00 0.76 C ATOM 812 CD LYS A 38 12.952 18.344 -1.738 1.00 0.91 C ATOM 813 CE LYS A 38 12.313 16.998 -1.420 1.00 1.37 C ATOM 814 NZ LYS A 38 13.307 15.890 -1.430 1.00 2.18 N ATOM 0 H LYS A 38 10.220 19.205 1.321 1.00 0.60 H new ATOM 0 HA LYS A 38 12.809 17.999 0.749 1.00 0.69 H new ATOM 0 HB2 LYS A 38 11.676 20.770 0.372 1.00 0.75 H new ATOM 0 HB3 LYS A 38 13.373 20.410 0.121 1.00 0.75 H new ATOM 0 HG2 LYS A 38 11.018 19.212 -1.384 1.00 0.76 H new ATOM 0 HG3 LYS A 38 12.203 20.340 -2.012 1.00 0.76 H new ATOM 0 HD2 LYS A 38 13.152 18.407 -2.808 1.00 0.91 H new ATOM 0 HD3 LYS A 38 13.913 18.419 -1.229 1.00 0.91 H new ATOM 0 HE2 LYS A 38 11.835 17.046 -0.442 1.00 1.37 H new ATOM 0 HE3 LYS A 38 11.529 16.788 -2.148 1.00 1.37 H new ATOM 0 HZ1 LYS A 38 12.829 14.993 -1.209 1.00 2.18 H new ATOM 0 HZ2 LYS A 38 13.746 15.826 -2.371 1.00 2.18 H new ATOM 0 HZ3 LYS A 38 14.041 16.076 -0.717 1.00 2.18 H new ATOM 828 N ALA A 39 12.352 19.036 3.552 1.00 0.71 N ATOM 829 CA ALA A 39 12.975 19.143 4.852 1.00 0.87 C ATOM 830 C ALA A 39 13.286 17.746 5.368 1.00 0.82 C ATOM 831 O ALA A 39 14.424 17.291 5.243 1.00 1.56 O ATOM 832 CB ALA A 39 12.086 19.907 5.825 1.00 1.06 C ATOM 0 H ALA A 39 11.370 18.763 3.582 1.00 0.71 H new ATOM 0 HA ALA A 39 13.904 19.706 4.762 1.00 0.87 H new ATOM 0 HB1 ALA A 39 12.580 19.972 6.795 1.00 1.06 H new ATOM 0 HB2 ALA A 39 11.906 20.911 5.441 1.00 1.06 H new ATOM 0 HB3 ALA A 39 11.136 19.385 5.936 1.00 1.06 H new ATOM 838 N GLY A 40 12.274 17.043 5.872 1.00 0.78 N ATOM 839 CA GLY A 40 12.495 15.733 6.470 1.00 1.03 C ATOM 840 C GLY A 40 13.705 15.699 7.396 1.00 1.29 C ATOM 841 O GLY A 40 14.049 16.715 8.002 1.00 1.54 O ATOM 0 H GLY A 40 11.303 17.356 5.878 1.00 0.78 H new ATOM 0 HA2 GLY A 40 11.607 15.441 7.030 1.00 1.03 H new ATOM 0 HA3 GLY A 40 12.629 14.996 5.678 1.00 1.03 H new ATOM 845 N PRO A 41 14.364 14.540 7.554 1.00 1.37 N ATOM 846 CA PRO A 41 13.907 13.258 7.035 1.00 1.22 C ATOM 847 C PRO A 41 13.045 12.519 8.055 1.00 1.09 C ATOM 848 O PRO A 41 13.268 12.611 9.263 1.00 1.18 O ATOM 849 CB PRO A 41 15.212 12.496 6.767 1.00 1.37 C ATOM 850 CG PRO A 41 16.305 13.273 7.449 1.00 1.60 C ATOM 851 CD PRO A 41 15.650 14.386 8.227 1.00 1.68 C ATOM 0 HA PRO A 41 13.282 13.363 6.148 1.00 1.22 H new ATOM 0 HB2 PRO A 41 15.156 11.480 7.158 1.00 1.37 H new ATOM 0 HB3 PRO A 41 15.402 12.416 5.697 1.00 1.37 H new ATOM 0 HG2 PRO A 41 16.878 12.626 8.113 1.00 1.60 H new ATOM 0 HG3 PRO A 41 17.004 13.677 6.716 1.00 1.60 H new ATOM 0 HD2 PRO A 41 15.527 14.126 9.278 1.00 1.68 H new ATOM 0 HD3 PRO A 41 16.237 15.304 8.192 1.00 1.68 H new ATOM 859 N TYR A 42 12.052 11.800 7.557 1.00 0.99 N ATOM 860 CA TYR A 42 11.063 11.164 8.410 1.00 0.92 C ATOM 861 C TYR A 42 11.187 9.649 8.367 1.00 0.97 C ATOM 862 O TYR A 42 11.057 9.022 7.313 1.00 1.08 O ATOM 863 CB TYR A 42 9.662 11.598 7.983 1.00 0.85 C ATOM 864 CG TYR A 42 9.509 13.101 7.861 1.00 0.87 C ATOM 865 CD1 TYR A 42 9.827 13.938 8.922 1.00 0.90 C ATOM 866 CD2 TYR A 42 9.040 13.680 6.689 1.00 0.99 C ATOM 867 CE1 TYR A 42 9.686 15.308 8.816 1.00 1.02 C ATOM 868 CE2 TYR A 42 8.897 15.049 6.574 1.00 1.10 C ATOM 869 CZ TYR A 42 9.240 15.860 7.637 1.00 1.12 C ATOM 870 OH TYR A 42 9.084 17.221 7.533 1.00 1.28 O ATOM 0 H TYR A 42 11.910 11.642 6.559 1.00 0.99 H new ATOM 0 HA TYR A 42 11.241 11.479 9.438 1.00 0.92 H new ATOM 0 HB2 TYR A 42 9.423 11.137 7.025 1.00 0.85 H new ATOM 0 HB3 TYR A 42 8.937 11.224 8.706 1.00 0.85 H new ATOM 0 HD1 TYR A 42 10.190 13.511 9.845 1.00 0.90 H new ATOM 0 HD2 TYR A 42 8.782 13.048 5.852 1.00 0.99 H new ATOM 0 HE1 TYR A 42 9.925 15.944 9.656 1.00 1.02 H new ATOM 0 HE2 TYR A 42 8.520 15.482 5.659 1.00 1.10 H new ATOM 0 HH TYR A 42 9.308 17.507 6.623 1.00 1.28 H new ATOM 880 N LYS A 43 11.432 9.080 9.532 1.00 0.96 N ATOM 881 CA LYS A 43 11.546 7.640 9.705 1.00 1.01 C ATOM 882 C LYS A 43 10.173 7.003 9.806 1.00 0.98 C ATOM 883 O LYS A 43 10.013 5.801 9.589 1.00 1.06 O ATOM 884 CB LYS A 43 12.330 7.336 10.979 1.00 1.10 C ATOM 885 CG LYS A 43 13.737 7.899 10.970 1.00 1.72 C ATOM 886 CD LYS A 43 14.507 7.488 12.211 1.00 2.26 C ATOM 887 CE LYS A 43 15.907 8.073 12.211 1.00 2.94 C ATOM 888 NZ LYS A 43 16.683 7.660 11.013 1.00 3.51 N ATOM 0 H LYS A 43 11.559 9.608 10.395 1.00 0.96 H new ATOM 0 HA LYS A 43 12.066 7.230 8.839 1.00 1.01 H new ATOM 0 HB2 LYS A 43 11.790 7.742 11.834 1.00 1.10 H new ATOM 0 HB3 LYS A 43 12.380 6.256 11.117 1.00 1.10 H new ATOM 0 HG2 LYS A 43 14.264 7.551 10.082 1.00 1.72 H new ATOM 0 HG3 LYS A 43 13.695 8.987 10.910 1.00 1.72 H new ATOM 0 HD2 LYS A 43 13.972 7.821 13.100 1.00 2.26 H new ATOM 0 HD3 LYS A 43 14.565 6.401 12.262 1.00 2.26 H new ATOM 0 HE2 LYS A 43 15.845 9.161 12.246 1.00 2.94 H new ATOM 0 HE3 LYS A 43 16.433 7.755 13.111 1.00 2.94 H new ATOM 0 HZ1 LYS A 43 17.687 7.891 11.153 1.00 3.51 H new ATOM 0 HZ2 LYS A 43 16.580 6.635 10.869 1.00 3.51 H new ATOM 0 HZ3 LYS A 43 16.325 8.164 10.177 1.00 3.51 H new ATOM 902 N ASN A 44 9.179 7.817 10.118 1.00 0.88 N ATOM 903 CA ASN A 44 7.837 7.324 10.355 1.00 0.85 C ATOM 904 C ASN A 44 6.825 8.351 9.872 1.00 0.80 C ATOM 905 O ASN A 44 7.152 9.529 9.715 1.00 0.85 O ATOM 906 CB ASN A 44 7.642 7.029 11.846 1.00 0.89 C ATOM 907 CG ASN A 44 7.790 8.262 12.714 1.00 0.95 C ATOM 908 OD1 ASN A 44 6.806 8.912 13.061 1.00 1.52 O ATOM 909 ND2 ASN A 44 9.023 8.608 13.051 1.00 1.10 N ATOM 0 H ASN A 44 9.279 8.828 10.213 1.00 0.88 H new ATOM 0 HA ASN A 44 7.687 6.397 9.801 1.00 0.85 H new ATOM 0 HB2 ASN A 44 6.652 6.599 12.000 1.00 0.89 H new ATOM 0 HB3 ASN A 44 8.368 6.279 12.161 1.00 0.89 H new ATOM 0 HD21 ASN A 44 9.182 9.441 13.618 1.00 1.10 H new ATOM 0 HD22 ASN A 44 9.814 8.042 12.743 1.00 1.10 H new ATOM 916 N THR A 45 5.601 7.902 9.639 1.00 0.77 N ATOM 917 CA THR A 45 4.573 8.749 9.054 1.00 0.76 C ATOM 918 C THR A 45 4.174 9.895 9.990 1.00 0.74 C ATOM 919 O THR A 45 3.812 10.979 9.527 1.00 0.92 O ATOM 920 CB THR A 45 3.329 7.916 8.692 1.00 0.84 C ATOM 921 OG1 THR A 45 3.732 6.724 7.999 1.00 1.05 O ATOM 922 CG2 THR A 45 2.373 8.710 7.812 1.00 1.18 C ATOM 0 H THR A 45 5.295 6.952 9.847 1.00 0.77 H new ATOM 0 HA THR A 45 4.994 9.186 8.148 1.00 0.76 H new ATOM 0 HB THR A 45 2.813 7.656 9.616 1.00 0.84 H new ATOM 0 HG1 THR A 45 2.940 6.194 7.771 1.00 1.05 H new ATOM 0 HG21 THR A 45 1.504 8.097 7.573 1.00 1.18 H new ATOM 0 HG22 THR A 45 2.050 9.606 8.342 1.00 1.18 H new ATOM 0 HG23 THR A 45 2.880 8.997 6.891 1.00 1.18 H new ATOM 930 N GLU A 46 4.261 9.664 11.299 1.00 0.72 N ATOM 931 CA GLU A 46 3.861 10.671 12.281 1.00 0.71 C ATOM 932 C GLU A 46 4.675 11.952 12.122 1.00 0.66 C ATOM 933 O GLU A 46 4.132 13.051 12.233 1.00 0.65 O ATOM 934 CB GLU A 46 4.009 10.131 13.707 1.00 0.79 C ATOM 935 CG GLU A 46 3.610 11.132 14.782 1.00 1.41 C ATOM 936 CD GLU A 46 3.807 10.597 16.184 1.00 1.82 C ATOM 937 OE1 GLU A 46 4.918 10.749 16.734 1.00 2.24 O ATOM 938 OE2 GLU A 46 2.851 10.019 16.746 1.00 2.12 O ATOM 0 H GLU A 46 4.603 8.792 11.703 1.00 0.72 H new ATOM 0 HA GLU A 46 2.812 10.905 12.101 1.00 0.71 H new ATOM 0 HB2 GLU A 46 3.398 9.235 13.812 1.00 0.79 H new ATOM 0 HB3 GLU A 46 5.045 9.832 13.868 1.00 0.79 H new ATOM 0 HG2 GLU A 46 4.197 12.043 14.660 1.00 1.41 H new ATOM 0 HG3 GLU A 46 2.564 11.406 14.646 1.00 1.41 H new ATOM 945 N GLU A 47 5.968 11.806 11.845 1.00 0.67 N ATOM 946 CA GLU A 47 6.852 12.955 11.681 1.00 0.67 C ATOM 947 C GLU A 47 6.394 13.848 10.529 1.00 0.60 C ATOM 948 O GLU A 47 6.326 15.069 10.672 1.00 0.58 O ATOM 949 CB GLU A 47 8.290 12.503 11.440 1.00 0.73 C ATOM 950 CG GLU A 47 8.926 11.793 12.620 1.00 0.98 C ATOM 951 CD GLU A 47 10.413 11.568 12.428 1.00 1.64 C ATOM 952 OE1 GLU A 47 10.782 10.578 11.759 1.00 2.26 O ATOM 953 OE2 GLU A 47 11.220 12.379 12.928 1.00 2.03 O ATOM 0 H GLU A 47 6.427 10.902 11.729 1.00 0.67 H new ATOM 0 HA GLU A 47 6.810 13.532 12.605 1.00 0.67 H new ATOM 0 HB2 GLU A 47 8.310 11.838 10.577 1.00 0.73 H new ATOM 0 HB3 GLU A 47 8.895 13.374 11.186 1.00 0.73 H new ATOM 0 HG2 GLU A 47 8.764 12.380 13.524 1.00 0.98 H new ATOM 0 HG3 GLU A 47 8.433 10.833 12.771 1.00 0.98 H new ATOM 960 N SER A 48 6.073 13.243 9.391 1.00 0.58 N ATOM 961 CA SER A 48 5.610 14.004 8.238 1.00 0.54 C ATOM 962 C SER A 48 4.260 14.663 8.525 1.00 0.51 C ATOM 963 O SER A 48 3.985 15.770 8.060 1.00 0.49 O ATOM 964 CB SER A 48 5.532 13.100 7.003 1.00 0.57 C ATOM 965 OG SER A 48 5.173 11.772 7.356 1.00 1.19 O ATOM 0 H SER A 48 6.124 12.235 9.243 1.00 0.58 H new ATOM 0 HA SER A 48 6.328 14.799 8.036 1.00 0.54 H new ATOM 0 HB2 SER A 48 4.801 13.502 6.301 1.00 0.57 H new ATOM 0 HB3 SER A 48 6.495 13.095 6.492 1.00 0.57 H new ATOM 0 HG SER A 48 4.574 11.790 8.131 1.00 1.19 H new ATOM 971 N ILE A 49 3.428 13.984 9.306 1.00 0.51 N ATOM 972 CA ILE A 49 2.137 14.524 9.708 1.00 0.49 C ATOM 973 C ILE A 49 2.331 15.720 10.628 1.00 0.49 C ATOM 974 O ILE A 49 1.645 16.735 10.508 1.00 0.47 O ATOM 975 CB ILE A 49 1.297 13.454 10.433 1.00 0.51 C ATOM 976 CG1 ILE A 49 1.032 12.276 9.500 1.00 0.52 C ATOM 977 CG2 ILE A 49 -0.012 14.046 10.935 1.00 0.50 C ATOM 978 CD1 ILE A 49 0.339 11.117 10.173 1.00 0.55 C ATOM 0 H ILE A 49 3.627 13.054 9.674 1.00 0.51 H new ATOM 0 HA ILE A 49 1.608 14.838 8.808 1.00 0.49 H new ATOM 0 HB ILE A 49 1.858 13.097 11.296 1.00 0.51 H new ATOM 0 HG12 ILE A 49 0.423 12.616 8.663 1.00 0.52 H new ATOM 0 HG13 ILE A 49 1.979 11.931 9.086 1.00 0.52 H new ATOM 0 HG21 ILE A 49 -0.589 13.274 11.443 1.00 0.50 H new ATOM 0 HG22 ILE A 49 0.199 14.858 11.630 1.00 0.50 H new ATOM 0 HG23 ILE A 49 -0.585 14.431 10.091 1.00 0.50 H new ATOM 0 HD11 ILE A 49 0.183 10.317 9.450 1.00 0.55 H new ATOM 0 HD12 ILE A 49 0.957 10.750 10.993 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -0.624 11.446 10.563 1.00 0.55 H new ATOM 985 N ALA A 50 3.282 15.580 11.536 1.00 0.52 N ATOM 986 CA ALA A 50 3.645 16.633 12.469 1.00 0.53 C ATOM 987 C ALA A 50 4.056 17.898 11.738 1.00 0.50 C ATOM 988 O ALA A 50 3.539 18.979 12.018 1.00 0.50 O ATOM 989 CB ALA A 50 4.779 16.155 13.348 1.00 0.57 C ATOM 0 H ALA A 50 3.828 14.726 11.647 1.00 0.52 H new ATOM 0 HA ALA A 50 2.774 16.867 13.082 1.00 0.53 H new ATOM 0 HB1 ALA A 50 5.053 16.943 14.049 1.00 0.57 H new ATOM 0 HB2 ALA A 50 4.462 15.271 13.902 1.00 0.57 H new ATOM 0 HB3 ALA A 50 5.640 15.905 12.728 1.00 0.57 H new ATOM 995 N ALA A 51 4.983 17.752 10.798 1.00 0.49 N ATOM 996 CA ALA A 51 5.455 18.876 10.003 1.00 0.48 C ATOM 997 C ALA A 51 4.289 19.559 9.299 1.00 0.45 C ATOM 998 O ALA A 51 4.195 20.788 9.262 1.00 0.47 O ATOM 999 CB ALA A 51 6.479 18.401 8.989 1.00 0.50 C ATOM 0 H ALA A 51 5.423 16.861 10.568 1.00 0.49 H new ATOM 0 HA ALA A 51 5.927 19.600 10.667 1.00 0.48 H new ATOM 0 HB1 ALA A 51 6.827 19.249 8.399 1.00 0.50 H new ATOM 0 HB2 ALA A 51 7.324 17.950 9.509 1.00 0.50 H new ATOM 0 HB3 ALA A 51 6.023 17.662 8.330 1.00 0.50 H new ATOM 1005 N LEU A 52 3.392 18.741 8.761 1.00 0.42 N ATOM 1006 CA LEU A 52 2.205 19.236 8.077 1.00 0.40 C ATOM 1007 C LEU A 52 1.263 19.931 9.046 1.00 0.39 C ATOM 1008 O LEU A 52 0.679 20.949 8.706 1.00 0.40 O ATOM 1009 CB LEU A 52 1.477 18.101 7.352 1.00 0.40 C ATOM 1010 CG LEU A 52 2.011 17.763 5.963 1.00 0.41 C ATOM 1011 CD1 LEU A 52 1.407 16.461 5.464 1.00 0.45 C ATOM 1012 CD2 LEU A 52 1.696 18.893 4.996 1.00 0.41 C ATOM 0 H LEU A 52 3.466 17.724 8.786 1.00 0.42 H new ATOM 0 HA LEU A 52 2.533 19.965 7.336 1.00 0.40 H new ATOM 0 HB2 LEU A 52 1.529 17.205 7.971 1.00 0.40 H new ATOM 0 HB3 LEU A 52 0.423 18.366 7.263 1.00 0.40 H new ATOM 0 HG LEU A 52 3.092 17.641 6.024 1.00 0.41 H new ATOM 0 HD11 LEU A 52 1.799 16.235 4.472 1.00 0.45 H new ATOM 0 HD12 LEU A 52 1.666 15.654 6.149 1.00 0.45 H new ATOM 0 HD13 LEU A 52 0.323 16.559 5.412 1.00 0.45 H new ATOM 0 HD21 LEU A 52 2.081 18.643 4.007 1.00 0.41 H new ATOM 0 HD22 LEU A 52 0.617 19.034 4.941 1.00 0.41 H new ATOM 0 HD23 LEU A 52 2.165 19.813 5.346 1.00 0.41 H new ATOM 1024 N LYS A 53 1.119 19.396 10.249 1.00 0.39 N ATOM 1025 CA LYS A 53 0.270 20.020 11.257 1.00 0.39 C ATOM 1026 C LYS A 53 0.810 21.394 11.655 1.00 0.40 C ATOM 1027 O LYS A 53 0.046 22.296 11.996 1.00 0.45 O ATOM 1028 CB LYS A 53 0.135 19.117 12.483 1.00 0.41 C ATOM 1029 CG LYS A 53 -0.795 17.932 12.261 1.00 0.42 C ATOM 1030 CD LYS A 53 -0.788 16.978 13.445 1.00 0.52 C ATOM 1031 CE LYS A 53 -1.888 15.934 13.324 1.00 0.52 C ATOM 1032 NZ LYS A 53 -3.238 16.518 13.536 1.00 1.22 N ATOM 0 H LYS A 53 1.576 18.536 10.552 1.00 0.39 H new ATOM 0 HA LYS A 53 -0.720 20.160 10.823 1.00 0.39 H new ATOM 0 HB2 LYS A 53 1.121 18.748 12.764 1.00 0.41 H new ATOM 0 HB3 LYS A 53 -0.235 19.708 13.321 1.00 0.41 H new ATOM 0 HG2 LYS A 53 -1.809 18.293 12.091 1.00 0.42 H new ATOM 0 HG3 LYS A 53 -0.493 17.396 11.361 1.00 0.42 H new ATOM 0 HD2 LYS A 53 0.181 16.482 13.509 1.00 0.52 H new ATOM 0 HD3 LYS A 53 -0.919 17.541 14.369 1.00 0.52 H new ATOM 0 HE2 LYS A 53 -1.843 15.474 12.337 1.00 0.52 H new ATOM 0 HE3 LYS A 53 -1.717 15.142 14.053 1.00 0.52 H new ATOM 0 HZ1 LYS A 53 -3.954 15.906 13.095 1.00 1.22 H new ATOM 0 HZ2 LYS A 53 -3.427 16.594 14.556 1.00 1.22 H new ATOM 0 HZ3 LYS A 53 -3.279 17.464 13.105 1.00 1.22 H new ATOM 1046 N LYS A 54 2.130 21.545 11.597 1.00 0.39 N ATOM 1047 CA LYS A 54 2.777 22.819 11.899 1.00 0.41 C ATOM 1048 C LYS A 54 2.559 23.807 10.757 1.00 0.41 C ATOM 1049 O LYS A 54 2.232 24.972 10.975 1.00 0.47 O ATOM 1050 CB LYS A 54 4.279 22.619 12.120 1.00 0.44 C ATOM 1051 CG LYS A 54 4.625 21.621 13.213 1.00 1.24 C ATOM 1052 CD LYS A 54 4.148 22.084 14.578 1.00 1.63 C ATOM 1053 CE LYS A 54 4.546 21.098 15.665 1.00 2.24 C ATOM 1054 NZ LYS A 54 6.022 20.918 15.740 1.00 3.05 N ATOM 0 H LYS A 54 2.776 20.797 11.342 1.00 0.39 H new ATOM 0 HA LYS A 54 2.333 23.219 12.811 1.00 0.41 H new ATOM 0 HB2 LYS A 54 4.730 22.287 11.185 1.00 0.44 H new ATOM 0 HB3 LYS A 54 4.729 23.581 12.367 1.00 0.44 H new ATOM 0 HG2 LYS A 54 4.174 20.657 12.979 1.00 1.24 H new ATOM 0 HG3 LYS A 54 5.704 21.470 13.238 1.00 1.24 H new ATOM 0 HD2 LYS A 54 4.570 23.064 14.800 1.00 1.63 H new ATOM 0 HD3 LYS A 54 3.064 22.199 14.567 1.00 1.63 H new ATOM 0 HE2 LYS A 54 4.174 21.449 16.627 1.00 2.24 H new ATOM 0 HE3 LYS A 54 4.072 20.135 15.473 1.00 2.24 H new ATOM 0 HZ1 LYS A 54 6.273 20.481 16.650 1.00 3.05 H new ATOM 0 HZ2 LYS A 54 6.337 20.303 14.962 1.00 3.05 H new ATOM 0 HZ3 LYS A 54 6.489 21.844 15.660 1.00 3.05 H new ATOM 1068 N LYS A 55 2.767 23.328 9.541 1.00 0.42 N ATOM 1069 CA LYS A 55 2.562 24.119 8.334 1.00 0.48 C ATOM 1070 C LYS A 55 1.091 24.459 8.125 1.00 0.47 C ATOM 1071 O LYS A 55 0.719 25.629 8.055 1.00 0.58 O ATOM 1072 CB LYS A 55 3.074 23.346 7.126 1.00 0.55 C ATOM 1073 CG LYS A 55 4.583 23.237 7.043 1.00 1.23 C ATOM 1074 CD LYS A 55 5.215 24.578 6.726 1.00 1.16 C ATOM 1075 CE LYS A 55 6.608 24.399 6.166 1.00 1.03 C ATOM 1076 NZ LYS A 55 7.225 25.696 5.783 1.00 1.48 N ATOM 0 H LYS A 55 3.084 22.376 9.361 1.00 0.42 H new ATOM 0 HA LYS A 55 3.113 25.052 8.449 1.00 0.48 H new ATOM 0 HB2 LYS A 55 2.651 22.342 7.147 1.00 0.55 H new ATOM 0 HB3 LYS A 55 2.707 23.828 6.220 1.00 0.55 H new ATOM 0 HG2 LYS A 55 4.975 22.862 7.988 1.00 1.23 H new ATOM 0 HG3 LYS A 55 4.856 22.513 6.275 1.00 1.23 H new ATOM 0 HD2 LYS A 55 4.596 25.115 6.007 1.00 1.16 H new ATOM 0 HD3 LYS A 55 5.257 25.187 7.629 1.00 1.16 H new ATOM 0 HE2 LYS A 55 7.236 23.904 6.907 1.00 1.03 H new ATOM 0 HE3 LYS A 55 6.567 23.746 5.295 1.00 1.03 H new ATOM 0 HZ1 LYS A 55 8.197 25.533 5.452 1.00 1.48 H new ATOM 0 HZ2 LYS A 55 6.668 26.134 5.021 1.00 1.48 H new ATOM 0 HZ3 LYS A 55 7.242 26.329 6.608 1.00 1.48 H new ATOM 1090 N SER A 56 0.270 23.443 8.018 1.00 0.39 N ATOM 1091 CA SER A 56 -1.138 23.627 7.742 1.00 0.39 C ATOM 1092 C SER A 56 -1.951 22.637 8.561 1.00 0.38 C ATOM 1093 O SER A 56 -2.036 21.451 8.232 1.00 0.38 O ATOM 1094 CB SER A 56 -1.402 23.452 6.246 1.00 0.40 C ATOM 1095 OG SER A 56 -0.666 24.404 5.493 1.00 1.16 O ATOM 0 H SER A 56 0.555 22.469 8.119 1.00 0.39 H new ATOM 0 HA SER A 56 -1.439 24.636 8.023 1.00 0.39 H new ATOM 0 HB2 SER A 56 -1.125 22.444 5.938 1.00 0.40 H new ATOM 0 HB3 SER A 56 -2.467 23.565 6.044 1.00 0.40 H new ATOM 0 HG SER A 56 -0.846 24.276 4.538 1.00 1.16 H new ATOM 1101 N PRO A 57 -2.544 23.148 9.662 1.00 0.41 N ATOM 1102 CA PRO A 57 -3.307 22.356 10.634 1.00 0.43 C ATOM 1103 C PRO A 57 -4.242 21.352 9.973 1.00 0.44 C ATOM 1104 O PRO A 57 -4.302 20.182 10.353 1.00 0.45 O ATOM 1105 CB PRO A 57 -4.129 23.424 11.352 1.00 0.48 C ATOM 1106 CG PRO A 57 -3.254 24.624 11.347 1.00 0.58 C ATOM 1107 CD PRO A 57 -2.494 24.575 10.050 1.00 0.45 C ATOM 0 HA PRO A 57 -2.658 21.761 11.277 1.00 0.43 H new ATOM 0 HB2 PRO A 57 -5.070 23.615 10.836 1.00 0.48 H new ATOM 0 HB3 PRO A 57 -4.379 23.118 12.368 1.00 0.48 H new ATOM 0 HG2 PRO A 57 -3.844 25.538 11.420 1.00 0.58 H new ATOM 0 HG3 PRO A 57 -2.574 24.615 12.199 1.00 0.58 H new ATOM 0 HD2 PRO A 57 -2.953 25.211 9.293 1.00 0.45 H new ATOM 0 HD3 PRO A 57 -1.467 24.919 10.175 1.00 0.45 H new ATOM 1115 N GLU A 58 -4.987 21.853 8.993 1.00 0.47 N ATOM 1116 CA GLU A 58 -5.940 21.055 8.239 1.00 0.51 C ATOM 1117 C GLU A 58 -5.270 19.928 7.455 1.00 0.47 C ATOM 1118 O GLU A 58 -5.793 18.818 7.419 1.00 0.47 O ATOM 1119 CB GLU A 58 -6.730 21.951 7.291 1.00 0.65 C ATOM 1120 CG GLU A 58 -5.839 22.683 6.315 1.00 1.44 C ATOM 1121 CD GLU A 58 -6.566 23.736 5.515 1.00 1.92 C ATOM 1122 OE1 GLU A 58 -6.730 24.865 6.019 1.00 2.42 O ATOM 1123 OE2 GLU A 58 -6.996 23.431 4.383 1.00 2.45 O ATOM 0 H GLU A 58 -4.944 22.829 8.700 1.00 0.47 H new ATOM 0 HA GLU A 58 -6.613 20.589 8.959 1.00 0.51 H new ATOM 0 HB2 GLU A 58 -7.450 21.346 6.739 1.00 0.65 H new ATOM 0 HB3 GLU A 58 -7.301 22.676 7.871 1.00 0.65 H new ATOM 0 HG2 GLU A 58 -5.022 23.153 6.862 1.00 1.44 H new ATOM 0 HG3 GLU A 58 -5.392 21.962 5.631 1.00 1.44 H new ATOM 1130 N LEU A 59 -4.106 20.184 6.855 1.00 0.46 N ATOM 1131 CA LEU A 59 -3.513 19.191 5.971 1.00 0.48 C ATOM 1132 C LEU A 59 -2.981 18.037 6.795 1.00 0.43 C ATOM 1133 O LEU A 59 -3.116 16.867 6.435 1.00 0.47 O ATOM 1134 CB LEU A 59 -2.385 19.780 5.122 1.00 0.56 C ATOM 1135 CG LEU A 59 -2.823 20.711 3.988 1.00 0.67 C ATOM 1136 CD1 LEU A 59 -1.620 21.107 3.150 1.00 1.15 C ATOM 1137 CD2 LEU A 59 -3.882 20.048 3.117 1.00 1.42 C ATOM 0 H LEU A 59 -3.571 21.046 6.963 1.00 0.46 H new ATOM 0 HA LEU A 59 -4.290 18.843 5.291 1.00 0.48 H new ATOM 0 HB2 LEU A 59 -1.710 20.330 5.778 1.00 0.56 H new ATOM 0 HB3 LEU A 59 -1.812 18.958 4.692 1.00 0.56 H new ATOM 0 HG LEU A 59 -3.262 21.607 4.427 1.00 0.67 H new ATOM 0 HD11 LEU A 59 -1.939 21.769 2.345 1.00 1.15 H new ATOM 0 HD12 LEU A 59 -0.893 21.623 3.778 1.00 1.15 H new ATOM 0 HD13 LEU A 59 -1.163 20.214 2.725 1.00 1.15 H new ATOM 0 HD21 LEU A 59 -4.176 20.730 2.319 1.00 1.42 H new ATOM 0 HD22 LEU A 59 -3.476 19.135 2.682 1.00 1.42 H new ATOM 0 HD23 LEU A 59 -4.753 19.804 3.725 1.00 1.42 H new ATOM 1149 N GLY A 60 -2.369 18.400 7.920 1.00 0.37 N ATOM 1150 CA GLY A 60 -1.866 17.422 8.851 1.00 0.36 C ATOM 1151 C GLY A 60 -2.978 16.581 9.429 1.00 0.35 C ATOM 1152 O GLY A 60 -2.790 15.403 9.700 1.00 0.36 O ATOM 0 H GLY A 60 -2.215 19.369 8.199 1.00 0.37 H new ATOM 0 HA2 GLY A 60 -1.145 16.777 8.348 1.00 0.36 H new ATOM 0 HA3 GLY A 60 -1.334 17.927 9.657 1.00 0.36 H new ATOM 1156 N ALA A 61 -4.142 17.191 9.620 1.00 0.37 N ATOM 1157 CA ALA A 61 -5.314 16.465 10.085 1.00 0.42 C ATOM 1158 C ALA A 61 -5.803 15.502 9.009 1.00 0.44 C ATOM 1159 O ALA A 61 -6.235 14.387 9.310 1.00 0.48 O ATOM 1160 CB ALA A 61 -6.419 17.433 10.473 1.00 0.45 C ATOM 0 H ALA A 61 -4.298 18.186 9.460 1.00 0.37 H new ATOM 0 HA ALA A 61 -5.036 15.887 10.967 1.00 0.42 H new ATOM 0 HB1 ALA A 61 -7.288 16.873 10.818 1.00 0.45 H new ATOM 0 HB2 ALA A 61 -6.067 18.086 11.272 1.00 0.45 H new ATOM 0 HB3 ALA A 61 -6.696 18.035 9.608 1.00 0.45 H new ATOM 1166 N LYS A 62 -5.730 15.944 7.752 1.00 0.45 N ATOM 1167 CA LYS A 62 -6.105 15.119 6.617 1.00 0.50 C ATOM 1168 C LYS A 62 -5.283 13.841 6.587 1.00 0.54 C ATOM 1169 O LYS A 62 -5.829 12.743 6.673 1.00 0.69 O ATOM 1170 CB LYS A 62 -5.904 15.891 5.308 1.00 0.53 C ATOM 1171 CG LYS A 62 -6.835 17.083 5.134 1.00 0.90 C ATOM 1172 CD LYS A 62 -8.296 16.661 5.059 1.00 1.25 C ATOM 1173 CE LYS A 62 -8.565 15.782 3.848 1.00 1.51 C ATOM 1174 NZ LYS A 62 -9.988 15.367 3.774 1.00 2.17 N ATOM 0 H LYS A 62 -5.410 16.879 7.500 1.00 0.45 H new ATOM 0 HA LYS A 62 -7.158 14.858 6.721 1.00 0.50 H new ATOM 0 HB2 LYS A 62 -4.873 16.241 5.261 1.00 0.53 H new ATOM 0 HB3 LYS A 62 -6.048 15.208 4.471 1.00 0.53 H new ATOM 0 HG2 LYS A 62 -6.700 17.773 5.967 1.00 0.90 H new ATOM 0 HG3 LYS A 62 -6.567 17.623 4.226 1.00 0.90 H new ATOM 0 HD2 LYS A 62 -8.566 16.122 5.967 1.00 1.25 H new ATOM 0 HD3 LYS A 62 -8.929 17.547 5.014 1.00 1.25 H new ATOM 0 HE2 LYS A 62 -8.296 16.322 2.940 1.00 1.51 H new ATOM 0 HE3 LYS A 62 -7.930 14.897 3.893 1.00 1.51 H new ATOM 0 HZ1 LYS A 62 -10.132 14.769 2.935 1.00 2.17 H new ATOM 0 HZ2 LYS A 62 -10.238 14.830 4.629 1.00 2.17 H new ATOM 0 HZ3 LYS A 62 -10.593 16.211 3.706 1.00 2.17 H new ATOM 1188 N VAL A 63 -3.966 13.991 6.487 1.00 0.45 N ATOM 1189 CA VAL A 63 -3.066 12.845 6.426 1.00 0.48 C ATOM 1190 C VAL A 63 -3.132 12.016 7.713 1.00 0.46 C ATOM 1191 O VAL A 63 -3.016 10.791 7.677 1.00 0.53 O ATOM 1192 CB VAL A 63 -1.613 13.291 6.151 1.00 0.48 C ATOM 1193 CG1 VAL A 63 -1.125 14.241 7.230 1.00 1.12 C ATOM 1194 CG2 VAL A 63 -0.683 12.092 6.019 1.00 1.12 C ATOM 0 H VAL A 63 -3.498 14.896 6.446 1.00 0.45 H new ATOM 0 HA VAL A 63 -3.396 12.217 5.598 1.00 0.48 H new ATOM 0 HB VAL A 63 -1.603 13.824 5.201 1.00 0.48 H new ATOM 0 HG11 VAL A 63 -0.100 14.541 7.014 1.00 1.12 H new ATOM 0 HG12 VAL A 63 -1.764 15.124 7.254 1.00 1.12 H new ATOM 0 HG13 VAL A 63 -1.161 13.741 8.198 1.00 1.12 H new ATOM 0 HG21 VAL A 63 0.332 12.439 5.826 1.00 1.12 H new ATOM 0 HG22 VAL A 63 -0.700 11.515 6.944 1.00 1.12 H new ATOM 0 HG23 VAL A 63 -1.015 11.463 5.193 1.00 1.12 H new ATOM 1198 N GLU A 64 -3.336 12.691 8.836 1.00 0.41 N ATOM 1199 CA GLU A 64 -3.452 12.026 10.129 1.00 0.42 C ATOM 1200 C GLU A 64 -4.583 11.009 10.126 1.00 0.50 C ATOM 1201 O GLU A 64 -4.344 9.804 10.208 1.00 0.55 O ATOM 1202 CB GLU A 64 -3.692 13.055 11.234 1.00 0.42 C ATOM 1203 CG GLU A 64 -4.079 12.447 12.570 1.00 0.53 C ATOM 1204 CD GLU A 64 -4.373 13.499 13.612 1.00 1.11 C ATOM 1205 OE1 GLU A 64 -5.018 14.510 13.278 1.00 1.66 O ATOM 1206 OE2 GLU A 64 -3.982 13.309 14.783 1.00 1.70 O ATOM 0 H GLU A 64 -3.425 13.706 8.878 1.00 0.41 H new ATOM 0 HA GLU A 64 -2.516 11.501 10.318 1.00 0.42 H new ATOM 0 HB2 GLU A 64 -2.788 13.650 11.365 1.00 0.42 H new ATOM 0 HB3 GLU A 64 -4.479 13.738 10.916 1.00 0.42 H new ATOM 0 HG2 GLU A 64 -4.956 11.813 12.438 1.00 0.53 H new ATOM 0 HG3 GLU A 64 -3.272 11.805 12.922 1.00 0.53 H new ATOM 1213 N LYS A 65 -5.809 11.496 9.999 1.00 0.58 N ATOM 1214 CA LYS A 65 -6.977 10.644 10.134 1.00 0.69 C ATOM 1215 C LYS A 65 -7.045 9.641 8.990 1.00 0.71 C ATOM 1216 O LYS A 65 -7.500 8.509 9.156 1.00 0.76 O ATOM 1217 CB LYS A 65 -8.242 11.499 10.193 1.00 0.84 C ATOM 1218 CG LYS A 65 -8.303 12.389 11.426 1.00 1.92 C ATOM 1219 CD LYS A 65 -9.537 13.278 11.431 1.00 2.40 C ATOM 1220 CE LYS A 65 -9.485 14.323 10.327 1.00 3.23 C ATOM 1221 NZ LYS A 65 -10.674 15.213 10.353 1.00 3.96 N ATOM 0 H LYS A 65 -6.018 12.475 9.803 1.00 0.58 H new ATOM 0 HA LYS A 65 -6.898 10.081 11.064 1.00 0.69 H new ATOM 0 HB2 LYS A 65 -8.295 12.121 9.300 1.00 0.84 H new ATOM 0 HB3 LYS A 65 -9.115 10.847 10.179 1.00 0.84 H new ATOM 0 HG2 LYS A 65 -8.301 11.767 12.321 1.00 1.92 H new ATOM 0 HG3 LYS A 65 -7.409 13.011 11.468 1.00 1.92 H new ATOM 0 HD2 LYS A 65 -10.428 12.663 11.308 1.00 2.40 H new ATOM 0 HD3 LYS A 65 -9.623 13.774 12.398 1.00 2.40 H new ATOM 0 HE2 LYS A 65 -8.581 14.922 10.436 1.00 3.23 H new ATOM 0 HE3 LYS A 65 -9.424 13.826 9.359 1.00 3.23 H new ATOM 0 HZ1 LYS A 65 -10.602 15.911 9.586 1.00 3.96 H new ATOM 0 HZ2 LYS A 65 -11.536 14.645 10.224 1.00 3.96 H new ATOM 0 HZ3 LYS A 65 -10.718 15.707 11.267 1.00 3.96 H new ATOM 1235 N LEU A 66 -6.561 10.070 7.834 1.00 0.72 N ATOM 1236 CA LEU A 66 -6.521 9.235 6.643 1.00 0.80 C ATOM 1237 C LEU A 66 -5.568 8.056 6.827 1.00 0.76 C ATOM 1238 O LEU A 66 -5.921 6.911 6.543 1.00 1.07 O ATOM 1239 CB LEU A 66 -6.082 10.076 5.449 1.00 0.84 C ATOM 1240 CG LEU A 66 -5.716 9.299 4.193 1.00 0.77 C ATOM 1241 CD1 LEU A 66 -6.887 9.260 3.228 1.00 1.50 C ATOM 1242 CD2 LEU A 66 -4.485 9.910 3.549 1.00 1.37 C ATOM 0 H LEU A 66 -6.185 11.008 7.695 1.00 0.72 H new ATOM 0 HA LEU A 66 -7.520 8.836 6.467 1.00 0.80 H new ATOM 0 HB2 LEU A 66 -6.885 10.771 5.203 1.00 0.84 H new ATOM 0 HB3 LEU A 66 -5.222 10.675 5.747 1.00 0.84 H new ATOM 0 HG LEU A 66 -5.483 8.270 4.465 1.00 0.77 H new ATOM 0 HD11 LEU A 66 -6.605 8.700 2.336 1.00 1.50 H new ATOM 0 HD12 LEU A 66 -7.737 8.775 3.707 1.00 1.50 H new ATOM 0 HD13 LEU A 66 -7.160 10.277 2.946 1.00 1.50 H new ATOM 0 HD21 LEU A 66 -4.228 9.349 2.650 1.00 1.37 H new ATOM 0 HD22 LEU A 66 -4.690 10.947 3.283 1.00 1.37 H new ATOM 0 HD23 LEU A 66 -3.651 9.873 4.250 1.00 1.37 H new ATOM 1254 N HIS A 67 -4.374 8.331 7.332 1.00 0.52 N ATOM 1255 CA HIS A 67 -3.370 7.285 7.478 1.00 0.55 C ATOM 1256 C HIS A 67 -3.736 6.427 8.675 1.00 0.44 C ATOM 1257 O HIS A 67 -3.313 5.286 8.794 1.00 0.45 O ATOM 1258 CB HIS A 67 -1.948 7.872 7.609 1.00 0.67 C ATOM 1259 CG HIS A 67 -1.345 7.771 8.980 1.00 0.94 C ATOM 1260 ND1 HIS A 67 -0.342 6.883 9.301 1.00 1.62 N ATOM 1261 CD2 HIS A 67 -1.622 8.446 10.113 1.00 1.85 C ATOM 1262 CE1 HIS A 67 -0.031 7.018 10.576 1.00 2.13 C ATOM 1263 NE2 HIS A 67 -0.793 7.961 11.092 1.00 2.34 N ATOM 0 H HIS A 67 -4.078 9.256 7.644 1.00 0.52 H new ATOM 0 HA HIS A 67 -3.359 6.667 6.580 1.00 0.55 H new ATOM 0 HB2 HIS A 67 -1.294 7.362 6.902 1.00 0.67 H new ATOM 0 HB3 HIS A 67 -1.976 8.922 7.317 1.00 0.67 H new ATOM 0 HD2 HIS A 67 -2.361 9.225 10.229 1.00 1.85 H new ATOM 0 HE1 HIS A 67 0.720 6.452 11.107 1.00 2.13 H new ATOM 0 HE2 HIS A 67 -0.770 8.278 12.061 1.00 2.34 H new ATOM 1272 N ALA A 68 -4.518 7.014 9.566 1.00 0.39 N ATOM 1273 CA ALA A 68 -5.026 6.320 10.730 1.00 0.36 C ATOM 1274 C ALA A 68 -6.041 5.259 10.326 1.00 0.34 C ATOM 1275 O ALA A 68 -6.175 4.241 10.995 1.00 0.37 O ATOM 1276 CB ALA A 68 -5.639 7.326 11.682 1.00 0.40 C ATOM 0 H ALA A 68 -4.817 7.987 9.499 1.00 0.39 H new ATOM 0 HA ALA A 68 -4.204 5.810 11.233 1.00 0.36 H new ATOM 0 HB1 ALA A 68 -6.023 6.808 12.561 1.00 0.40 H new ATOM 0 HB2 ALA A 68 -4.880 8.046 11.988 1.00 0.40 H new ATOM 0 HB3 ALA A 68 -6.455 7.849 11.183 1.00 0.40 H new ATOM 1282 N MET A 69 -6.755 5.499 9.228 1.00 0.33 N ATOM 1283 CA MET A 69 -7.635 4.478 8.662 1.00 0.37 C ATOM 1284 C MET A 69 -6.784 3.326 8.166 1.00 0.37 C ATOM 1285 O MET A 69 -7.063 2.158 8.431 1.00 0.42 O ATOM 1286 CB MET A 69 -8.447 5.020 7.485 1.00 0.46 C ATOM 1287 CG MET A 69 -9.261 6.261 7.792 1.00 0.44 C ATOM 1288 SD MET A 69 -10.264 6.774 6.382 1.00 0.72 S ATOM 1289 CE MET A 69 -9.053 6.704 5.060 1.00 0.55 C ATOM 0 H MET A 69 -6.743 6.382 8.717 1.00 0.33 H new ATOM 0 HA MET A 69 -8.328 4.157 9.440 1.00 0.37 H new ATOM 0 HB2 MET A 69 -7.766 5.243 6.664 1.00 0.46 H new ATOM 0 HB3 MET A 69 -9.121 4.238 7.136 1.00 0.46 H new ATOM 0 HG2 MET A 69 -9.909 6.068 8.647 1.00 0.44 H new ATOM 0 HG3 MET A 69 -8.592 7.073 8.076 1.00 0.44 H new ATOM 0 HE1 MET A 69 -9.418 7.268 4.202 1.00 0.55 H new ATOM 0 HE2 MET A 69 -8.113 7.135 5.404 1.00 0.55 H new ATOM 0 HE3 MET A 69 -8.891 5.666 4.769 1.00 0.55 H new ATOM 1299 N VAL A 70 -5.735 3.691 7.440 1.00 0.36 N ATOM 1300 CA VAL A 70 -4.762 2.748 6.936 1.00 0.39 C ATOM 1301 C VAL A 70 -4.137 1.972 8.091 1.00 0.38 C ATOM 1302 O VAL A 70 -3.998 0.752 8.040 1.00 0.38 O ATOM 1303 CB VAL A 70 -3.669 3.495 6.147 1.00 0.42 C ATOM 1304 CG1 VAL A 70 -2.677 2.525 5.553 1.00 0.79 C ATOM 1305 CG2 VAL A 70 -4.297 4.355 5.057 1.00 0.70 C ATOM 0 H VAL A 70 -5.540 4.659 7.186 1.00 0.36 H new ATOM 0 HA VAL A 70 -5.262 2.044 6.271 1.00 0.39 H new ATOM 0 HB VAL A 70 -3.132 4.146 6.837 1.00 0.42 H new ATOM 0 HG11 VAL A 70 -1.915 3.076 5.001 1.00 0.79 H new ATOM 0 HG12 VAL A 70 -2.204 1.953 6.352 1.00 0.79 H new ATOM 0 HG13 VAL A 70 -3.194 1.844 4.877 1.00 0.79 H new ATOM 0 HG21 VAL A 70 -3.513 4.877 4.508 1.00 0.70 H new ATOM 0 HG22 VAL A 70 -4.859 3.721 4.372 1.00 0.70 H new ATOM 0 HG23 VAL A 70 -4.969 5.084 5.510 1.00 0.70 H new ATOM 1309 N LYS A 71 -3.796 2.699 9.142 1.00 0.40 N ATOM 1310 CA LYS A 71 -3.230 2.114 10.345 1.00 0.43 C ATOM 1311 C LYS A 71 -4.242 1.182 11.009 1.00 0.44 C ATOM 1312 O LYS A 71 -3.885 0.111 11.484 1.00 0.45 O ATOM 1313 CB LYS A 71 -2.820 3.237 11.306 1.00 0.48 C ATOM 1314 CG LYS A 71 -2.038 2.783 12.528 1.00 1.22 C ATOM 1315 CD LYS A 71 -0.533 2.833 12.295 1.00 1.30 C ATOM 1316 CE LYS A 71 -0.075 1.776 11.306 1.00 0.75 C ATOM 1317 NZ LYS A 71 1.409 1.669 11.256 1.00 1.47 N ATOM 0 H LYS A 71 -3.904 3.712 9.185 1.00 0.40 H new ATOM 0 HA LYS A 71 -2.350 1.526 10.084 1.00 0.43 H new ATOM 0 HB2 LYS A 71 -2.219 3.963 10.758 1.00 0.48 H new ATOM 0 HB3 LYS A 71 -3.719 3.755 11.640 1.00 0.48 H new ATOM 0 HG2 LYS A 71 -2.294 3.416 13.378 1.00 1.22 H new ATOM 0 HG3 LYS A 71 -2.331 1.766 12.788 1.00 1.22 H new ATOM 0 HD2 LYS A 71 -0.256 3.820 11.925 1.00 1.30 H new ATOM 0 HD3 LYS A 71 -0.014 2.691 13.243 1.00 1.30 H new ATOM 0 HE2 LYS A 71 -0.499 0.811 11.583 1.00 0.75 H new ATOM 0 HE3 LYS A 71 -0.455 2.018 10.314 1.00 0.75 H new ATOM 0 HZ1 LYS A 71 1.678 0.712 10.949 1.00 1.47 H new ATOM 0 HZ2 LYS A 71 1.785 2.367 10.583 1.00 1.47 H new ATOM 0 HZ3 LYS A 71 1.802 1.853 12.201 1.00 1.47 H new ATOM 1331 N SER A 72 -5.503 1.597 11.012 1.00 0.45 N ATOM 1332 CA SER A 72 -6.587 0.818 11.599 1.00 0.49 C ATOM 1333 C SER A 72 -6.709 -0.558 10.939 1.00 0.45 C ATOM 1334 O SER A 72 -6.775 -1.582 11.623 1.00 0.49 O ATOM 1335 CB SER A 72 -7.907 1.589 11.461 1.00 0.56 C ATOM 1336 OG SER A 72 -8.975 0.928 12.115 1.00 1.26 O ATOM 0 H SER A 72 -5.803 2.484 10.607 1.00 0.45 H new ATOM 0 HA SER A 72 -6.363 0.661 12.654 1.00 0.49 H new ATOM 0 HB2 SER A 72 -7.789 2.589 11.878 1.00 0.56 H new ATOM 0 HB3 SER A 72 -8.148 1.711 10.405 1.00 0.56 H new ATOM 0 HG SER A 72 -9.798 1.449 12.007 1.00 1.26 H new ATOM 1342 N LYS A 73 -6.735 -0.583 9.612 1.00 0.39 N ATOM 1343 CA LYS A 73 -6.873 -1.838 8.887 1.00 0.38 C ATOM 1344 C LYS A 73 -5.586 -2.661 8.965 1.00 0.33 C ATOM 1345 O LYS A 73 -5.639 -3.877 9.081 1.00 0.38 O ATOM 1346 CB LYS A 73 -7.318 -1.604 7.434 1.00 0.44 C ATOM 1347 CG LYS A 73 -6.388 -0.714 6.617 1.00 0.62 C ATOM 1348 CD LYS A 73 -7.151 0.309 5.769 1.00 0.78 C ATOM 1349 CE LYS A 73 -7.911 -0.309 4.599 1.00 0.88 C ATOM 1350 NZ LYS A 73 -9.108 -1.081 5.026 1.00 1.54 N ATOM 0 H LYS A 73 -6.663 0.245 9.021 1.00 0.39 H new ATOM 0 HA LYS A 73 -7.660 -2.418 9.369 1.00 0.38 H new ATOM 0 HB2 LYS A 73 -7.405 -2.569 6.935 1.00 0.44 H new ATOM 0 HB3 LYS A 73 -8.312 -1.158 7.441 1.00 0.44 H new ATOM 0 HG2 LYS A 73 -5.709 -0.190 7.289 1.00 0.62 H new ATOM 0 HG3 LYS A 73 -5.774 -1.336 5.965 1.00 0.62 H new ATOM 0 HD2 LYS A 73 -7.855 0.843 6.407 1.00 0.78 H new ATOM 0 HD3 LYS A 73 -6.447 1.046 5.384 1.00 0.78 H new ATOM 0 HE2 LYS A 73 -8.220 0.482 3.916 1.00 0.88 H new ATOM 0 HE3 LYS A 73 -7.241 -0.966 4.044 1.00 0.88 H new ATOM 0 HZ1 LYS A 73 -9.796 -1.114 4.247 1.00 1.54 H new ATOM 0 HZ2 LYS A 73 -8.825 -2.049 5.279 1.00 1.54 H new ATOM 0 HZ3 LYS A 73 -9.542 -0.620 5.851 1.00 1.54 H new ATOM 1364 N ILE A 74 -4.437 -2.003 8.942 1.00 0.28 N ATOM 1365 CA ILE A 74 -3.168 -2.700 9.113 1.00 0.28 C ATOM 1366 C ILE A 74 -3.047 -3.263 10.533 1.00 0.28 C ATOM 1367 O ILE A 74 -2.436 -4.308 10.752 1.00 0.30 O ATOM 1368 CB ILE A 74 -1.983 -1.773 8.771 1.00 0.30 C ATOM 1369 CG1 ILE A 74 -1.996 -1.501 7.267 1.00 0.30 C ATOM 1370 CG2 ILE A 74 -0.655 -2.383 9.192 1.00 0.34 C ATOM 1371 CD1 ILE A 74 -0.905 -0.577 6.789 1.00 0.32 C ATOM 0 H ILE A 74 -4.355 -0.995 8.808 1.00 0.28 H new ATOM 0 HA ILE A 74 -3.140 -3.540 8.419 1.00 0.28 H new ATOM 0 HB ILE A 74 -2.093 -0.839 9.322 1.00 0.30 H new ATOM 0 HG12 ILE A 74 -1.908 -2.450 6.738 1.00 0.30 H new ATOM 0 HG13 ILE A 74 -2.961 -1.073 6.996 1.00 0.30 H new ATOM 0 HG21 ILE A 74 0.156 -1.702 8.935 1.00 0.34 H new ATOM 0 HG22 ILE A 74 -0.658 -2.554 10.269 1.00 0.34 H new ATOM 0 HG23 ILE A 74 -0.510 -3.331 8.675 1.00 0.34 H new ATOM 0 HD11 ILE A 74 -0.990 -0.440 5.711 1.00 0.32 H new ATOM 0 HD12 ILE A 74 -1.002 0.388 7.286 1.00 0.32 H new ATOM 0 HD13 ILE A 74 0.067 -1.010 7.024 1.00 0.32 H new ATOM 1378 N ALA A 75 -3.672 -2.582 11.485 1.00 0.31 N ATOM 1379 CA ALA A 75 -3.767 -3.074 12.855 1.00 0.32 C ATOM 1380 C ALA A 75 -4.586 -4.361 12.905 1.00 0.32 C ATOM 1381 O ALA A 75 -4.374 -5.225 13.758 1.00 0.35 O ATOM 1382 CB ALA A 75 -4.419 -2.027 13.743 1.00 0.34 C ATOM 0 H ALA A 75 -4.124 -1.681 11.332 1.00 0.31 H new ATOM 0 HA ALA A 75 -2.759 -3.279 13.216 1.00 0.32 H new ATOM 0 HB1 ALA A 75 -4.485 -2.405 14.763 1.00 0.34 H new ATOM 0 HB2 ALA A 75 -3.820 -1.116 13.731 1.00 0.34 H new ATOM 0 HB3 ALA A 75 -5.420 -1.808 13.372 1.00 0.34 H new ATOM 1388 N ALA A 76 -5.529 -4.470 11.975 1.00 0.31 N ATOM 1389 CA ALA A 76 -6.420 -5.619 11.892 1.00 0.32 C ATOM 1390 C ALA A 76 -5.785 -6.734 11.074 1.00 0.34 C ATOM 1391 O ALA A 76 -6.334 -7.832 10.954 1.00 0.49 O ATOM 1392 CB ALA A 76 -7.736 -5.197 11.257 1.00 0.35 C ATOM 0 H ALA A 76 -5.696 -3.764 11.258 1.00 0.31 H new ATOM 0 HA ALA A 76 -6.604 -5.993 12.899 1.00 0.32 H new ATOM 0 HB1 ALA A 76 -8.402 -6.057 11.195 1.00 0.35 H new ATOM 0 HB2 ALA A 76 -8.201 -4.421 11.865 1.00 0.35 H new ATOM 0 HB3 ALA A 76 -7.549 -4.810 10.255 1.00 0.35 H new ATOM 1398 N LEU A 77 -4.624 -6.440 10.524 1.00 0.34 N ATOM 1399 CA LEU A 77 -3.920 -7.364 9.658 1.00 0.31 C ATOM 1400 C LEU A 77 -2.971 -8.224 10.482 1.00 0.32 C ATOM 1401 O LEU A 77 -2.351 -7.746 11.436 1.00 0.33 O ATOM 1402 CB LEU A 77 -3.160 -6.559 8.601 1.00 0.30 C ATOM 1403 CG LEU A 77 -2.750 -7.310 7.334 1.00 0.38 C ATOM 1404 CD1 LEU A 77 -3.885 -8.194 6.843 1.00 0.71 C ATOM 1405 CD2 LEU A 77 -2.368 -6.311 6.257 1.00 0.58 C ATOM 0 H LEU A 77 -4.142 -5.552 10.665 1.00 0.34 H new ATOM 0 HA LEU A 77 -4.625 -8.030 9.160 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -3.778 -5.710 8.309 1.00 0.30 H new ATOM 0 HB3 LEU A 77 -2.260 -6.154 9.063 1.00 0.30 H new ATOM 0 HG LEU A 77 -1.895 -7.946 7.562 1.00 0.38 H new ATOM 0 HD11 LEU A 77 -3.573 -8.720 5.941 1.00 0.71 H new ATOM 0 HD12 LEU A 77 -4.141 -8.919 7.615 1.00 0.71 H new ATOM 0 HD13 LEU A 77 -4.756 -7.578 6.621 1.00 0.71 H new ATOM 0 HD21 LEU A 77 -2.075 -6.845 5.353 1.00 0.58 H new ATOM 0 HD22 LEU A 77 -3.220 -5.668 6.039 1.00 0.58 H new ATOM 0 HD23 LEU A 77 -1.534 -5.702 6.605 1.00 0.58 H new ATOM 1417 N GLY A 78 -2.901 -9.506 10.143 1.00 0.36 N ATOM 1418 CA GLY A 78 -2.042 -10.423 10.864 1.00 0.42 C ATOM 1419 C GLY A 78 -0.577 -10.134 10.623 1.00 0.46 C ATOM 1420 O GLY A 78 -0.236 -9.565 9.594 1.00 0.76 O ATOM 0 H GLY A 78 -3.427 -9.927 9.377 1.00 0.36 H new ATOM 0 HA2 GLY A 78 -2.254 -10.356 11.931 1.00 0.42 H new ATOM 0 HA3 GLY A 78 -2.265 -11.445 10.558 1.00 0.42 H new ATOM 1424 N PRO A 79 0.310 -10.529 11.555 1.00 0.66 N ATOM 1425 CA PRO A 79 1.754 -10.235 11.491 1.00 0.86 C ATOM 1426 C PRO A 79 2.370 -10.460 10.109 1.00 0.60 C ATOM 1427 O PRO A 79 3.222 -9.683 9.664 1.00 0.64 O ATOM 1428 CB PRO A 79 2.343 -11.223 12.491 1.00 1.32 C ATOM 1429 CG PRO A 79 1.273 -11.402 13.508 1.00 1.56 C ATOM 1430 CD PRO A 79 -0.031 -11.305 12.765 1.00 1.10 C ATOM 0 HA PRO A 79 1.954 -9.185 11.706 1.00 0.86 H new ATOM 0 HB2 PRO A 79 2.598 -12.168 12.012 1.00 1.32 H new ATOM 0 HB3 PRO A 79 3.258 -10.836 12.940 1.00 1.32 H new ATOM 0 HG2 PRO A 79 1.367 -12.367 14.006 1.00 1.56 H new ATOM 0 HG3 PRO A 79 1.339 -10.637 14.281 1.00 1.56 H new ATOM 0 HD2 PRO A 79 -0.421 -12.291 12.511 1.00 1.10 H new ATOM 0 HD3 PRO A 79 -0.794 -10.803 13.360 1.00 1.10 H new ATOM 1438 N GLU A 80 1.931 -11.515 9.439 1.00 0.51 N ATOM 1439 CA GLU A 80 2.440 -11.864 8.125 1.00 0.49 C ATOM 1440 C GLU A 80 2.080 -10.789 7.117 1.00 0.42 C ATOM 1441 O GLU A 80 2.953 -10.191 6.484 1.00 0.49 O ATOM 1442 CB GLU A 80 1.862 -13.206 7.665 1.00 0.70 C ATOM 1443 CG GLU A 80 2.328 -14.406 8.481 1.00 1.25 C ATOM 1444 CD GLU A 80 1.831 -14.386 9.914 1.00 1.79 C ATOM 1445 OE1 GLU A 80 0.603 -14.343 10.120 1.00 2.52 O ATOM 1446 OE2 GLU A 80 2.666 -14.409 10.841 1.00 2.19 O ATOM 0 H GLU A 80 1.215 -12.150 9.791 1.00 0.51 H new ATOM 0 HA GLU A 80 3.525 -11.946 8.192 1.00 0.49 H new ATOM 0 HB2 GLU A 80 0.774 -13.153 7.708 1.00 0.70 H new ATOM 0 HB3 GLU A 80 2.132 -13.365 6.621 1.00 0.70 H new ATOM 0 HG2 GLU A 80 1.985 -15.321 7.997 1.00 1.25 H new ATOM 0 HG3 GLU A 80 3.418 -14.435 8.482 1.00 1.25 H new ATOM 1453 N ALA A 81 0.790 -10.525 7.000 1.00 0.36 N ATOM 1454 CA ALA A 81 0.301 -9.591 5.996 1.00 0.34 C ATOM 1455 C ALA A 81 0.580 -8.149 6.410 1.00 0.31 C ATOM 1456 O ALA A 81 0.826 -7.286 5.568 1.00 0.32 O ATOM 1457 CB ALA A 81 -1.176 -9.819 5.732 1.00 0.36 C ATOM 0 H ALA A 81 0.064 -10.941 7.584 1.00 0.36 H new ATOM 0 HA ALA A 81 0.839 -9.772 5.065 1.00 0.34 H new ATOM 0 HB1 ALA A 81 -1.524 -9.112 4.979 1.00 0.36 H new ATOM 0 HB2 ALA A 81 -1.328 -10.837 5.372 1.00 0.36 H new ATOM 0 HB3 ALA A 81 -1.737 -9.672 6.655 1.00 0.36 H new ATOM 1463 N LYS A 82 0.553 -7.910 7.716 1.00 0.31 N ATOM 1464 CA LYS A 82 0.835 -6.594 8.282 1.00 0.33 C ATOM 1465 C LYS A 82 2.238 -6.136 7.908 1.00 0.33 C ATOM 1466 O LYS A 82 2.454 -4.965 7.600 1.00 0.32 O ATOM 1467 CB LYS A 82 0.692 -6.625 9.808 1.00 0.41 C ATOM 1468 CG LYS A 82 0.736 -5.246 10.450 1.00 0.60 C ATOM 1469 CD LYS A 82 0.520 -5.303 11.953 1.00 0.86 C ATOM 1470 CE LYS A 82 1.680 -5.978 12.662 1.00 1.33 C ATOM 1471 NZ LYS A 82 1.466 -6.063 14.130 1.00 2.04 N ATOM 0 H LYS A 82 0.335 -8.622 8.413 1.00 0.31 H new ATOM 0 HA LYS A 82 0.113 -5.889 7.870 1.00 0.33 H new ATOM 0 HB2 LYS A 82 -0.250 -7.108 10.067 1.00 0.41 H new ATOM 0 HB3 LYS A 82 1.490 -7.238 10.227 1.00 0.41 H new ATOM 0 HG2 LYS A 82 1.699 -4.781 10.241 1.00 0.60 H new ATOM 0 HG3 LYS A 82 -0.028 -4.613 9.999 1.00 0.60 H new ATOM 0 HD2 LYS A 82 0.395 -4.292 12.341 1.00 0.86 H new ATOM 0 HD3 LYS A 82 -0.402 -5.843 12.168 1.00 0.86 H new ATOM 0 HE2 LYS A 82 1.817 -6.981 12.258 1.00 1.33 H new ATOM 0 HE3 LYS A 82 2.598 -5.425 12.461 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 2.282 -6.531 14.573 1.00 2.04 H new ATOM 0 HZ2 LYS A 82 1.361 -5.105 14.522 1.00 2.04 H new ATOM 0 HZ3 LYS A 82 0.605 -6.613 14.324 1.00 2.04 H new ATOM 1485 N GLY A 83 3.188 -7.062 7.921 1.00 0.37 N ATOM 1486 CA GLY A 83 4.539 -6.725 7.533 1.00 0.41 C ATOM 1487 C GLY A 83 4.607 -6.280 6.090 1.00 0.39 C ATOM 1488 O GLY A 83 5.247 -5.282 5.771 1.00 0.41 O ATOM 0 H GLY A 83 3.046 -8.035 8.192 1.00 0.37 H new ATOM 0 HA2 GLY A 83 4.916 -5.931 8.178 1.00 0.41 H new ATOM 0 HA3 GLY A 83 5.187 -7.589 7.679 1.00 0.41 H new ATOM 1492 N PHE A 84 3.919 -7.011 5.222 1.00 0.37 N ATOM 1493 CA PHE A 84 3.858 -6.667 3.809 1.00 0.37 C ATOM 1494 C PHE A 84 3.131 -5.341 3.596 1.00 0.34 C ATOM 1495 O PHE A 84 3.560 -4.514 2.791 1.00 0.37 O ATOM 1496 CB PHE A 84 3.171 -7.785 3.017 1.00 0.39 C ATOM 1497 CG PHE A 84 2.797 -7.382 1.619 1.00 0.74 C ATOM 1498 CD1 PHE A 84 3.758 -6.903 0.744 1.00 0.71 C ATOM 1499 CD2 PHE A 84 1.492 -7.505 1.172 1.00 1.22 C ATOM 1500 CE1 PHE A 84 3.421 -6.553 -0.549 1.00 1.13 C ATOM 1501 CE2 PHE A 84 1.153 -7.155 -0.116 1.00 1.65 C ATOM 1502 CZ PHE A 84 2.095 -6.604 -0.950 1.00 1.59 C ATOM 0 H PHE A 84 3.394 -7.848 5.474 1.00 0.37 H new ATOM 0 HA PHE A 84 4.879 -6.554 3.445 1.00 0.37 H new ATOM 0 HB2 PHE A 84 3.834 -8.649 2.973 1.00 0.39 H new ATOM 0 HB3 PHE A 84 2.273 -8.099 3.549 1.00 0.39 H new ATOM 0 HD1 PHE A 84 4.781 -6.802 1.076 1.00 0.71 H new ATOM 0 HD2 PHE A 84 0.732 -7.880 1.841 1.00 1.22 H new ATOM 0 HE1 PHE A 84 4.187 -6.241 -1.244 1.00 1.13 H new ATOM 0 HE2 PHE A 84 0.145 -7.314 -0.471 1.00 1.65 H new ATOM 0 HZ PHE A 84 1.804 -6.212 -1.914 1.00 1.59 H new ATOM 1512 N ALA A 85 2.036 -5.142 4.321 1.00 0.30 N ATOM 1513 CA ALA A 85 1.254 -3.916 4.215 1.00 0.30 C ATOM 1514 C ALA A 85 2.117 -2.692 4.488 1.00 0.32 C ATOM 1515 O ALA A 85 2.047 -1.700 3.771 1.00 0.41 O ATOM 1516 CB ALA A 85 0.085 -3.947 5.182 1.00 0.28 C ATOM 0 H ALA A 85 1.669 -5.817 4.991 1.00 0.30 H new ATOM 0 HA ALA A 85 0.873 -3.850 3.196 1.00 0.30 H new ATOM 0 HB1 ALA A 85 -0.488 -3.024 5.090 1.00 0.28 H new ATOM 0 HB2 ALA A 85 -0.556 -4.797 4.950 1.00 0.28 H new ATOM 0 HB3 ALA A 85 0.459 -4.042 6.202 1.00 0.28 H new ATOM 1522 N GLU A 86 2.948 -2.778 5.511 1.00 0.31 N ATOM 1523 CA GLU A 86 3.784 -1.655 5.888 1.00 0.37 C ATOM 1524 C GLU A 86 5.067 -1.634 5.061 1.00 0.44 C ATOM 1525 O GLU A 86 5.713 -0.593 4.928 1.00 0.70 O ATOM 1526 CB GLU A 86 4.096 -1.696 7.384 1.00 0.43 C ATOM 1527 CG GLU A 86 2.848 -1.804 8.246 1.00 0.55 C ATOM 1528 CD GLU A 86 3.102 -1.450 9.694 1.00 0.95 C ATOM 1529 OE1 GLU A 86 3.701 -2.275 10.416 1.00 1.11 O ATOM 1530 OE2 GLU A 86 2.710 -0.345 10.119 1.00 1.96 O ATOM 0 H GLU A 86 3.061 -3.609 6.092 1.00 0.31 H new ATOM 0 HA GLU A 86 3.237 -0.735 5.681 1.00 0.37 H new ATOM 0 HB2 GLU A 86 4.749 -2.544 7.591 1.00 0.43 H new ATOM 0 HB3 GLU A 86 4.645 -0.796 7.660 1.00 0.43 H new ATOM 0 HG2 GLU A 86 2.078 -1.145 7.846 1.00 0.55 H new ATOM 0 HG3 GLU A 86 2.459 -2.821 8.188 1.00 0.55 H new ATOM 1537 N LYS A 87 5.433 -2.782 4.498 1.00 0.41 N ATOM 1538 CA LYS A 87 6.592 -2.866 3.634 1.00 0.49 C ATOM 1539 C LYS A 87 6.288 -2.220 2.287 1.00 0.49 C ATOM 1540 O LYS A 87 7.092 -1.458 1.756 1.00 0.57 O ATOM 1541 CB LYS A 87 7.011 -4.325 3.433 1.00 0.57 C ATOM 1542 CG LYS A 87 8.298 -4.476 2.650 1.00 0.69 C ATOM 1543 CD LYS A 87 9.466 -3.835 3.382 1.00 1.25 C ATOM 1544 CE LYS A 87 10.737 -3.856 2.551 1.00 1.75 C ATOM 1545 NZ LYS A 87 11.857 -3.173 3.249 1.00 2.12 N ATOM 0 H LYS A 87 4.939 -3.665 4.629 1.00 0.41 H new ATOM 0 HA LYS A 87 7.415 -2.332 4.108 1.00 0.49 H new ATOM 0 HB2 LYS A 87 7.129 -4.799 4.407 1.00 0.57 H new ATOM 0 HB3 LYS A 87 6.213 -4.857 2.914 1.00 0.57 H new ATOM 0 HG2 LYS A 87 8.505 -5.534 2.486 1.00 0.69 H new ATOM 0 HG3 LYS A 87 8.185 -4.017 1.668 1.00 0.69 H new ATOM 0 HD2 LYS A 87 9.215 -2.805 3.634 1.00 1.25 H new ATOM 0 HD3 LYS A 87 9.638 -4.361 4.321 1.00 1.25 H new ATOM 0 HE2 LYS A 87 11.016 -4.888 2.337 1.00 1.75 H new ATOM 0 HE3 LYS A 87 10.554 -3.370 1.593 1.00 1.75 H new ATOM 0 HZ1 LYS A 87 12.745 -3.351 2.737 1.00 2.12 H new ATOM 0 HZ2 LYS A 87 11.674 -2.150 3.280 1.00 2.12 H new ATOM 0 HZ3 LYS A 87 11.937 -3.540 4.219 1.00 2.12 H new ATOM 1559 N SER A 88 5.123 -2.531 1.738 1.00 0.46 N ATOM 1560 CA SER A 88 4.698 -1.939 0.482 1.00 0.51 C ATOM 1561 C SER A 88 4.556 -0.425 0.622 1.00 0.51 C ATOM 1562 O SER A 88 4.850 0.325 -0.312 1.00 0.57 O ATOM 1563 CB SER A 88 3.388 -2.573 0.008 1.00 0.56 C ATOM 1564 OG SER A 88 2.419 -2.584 1.039 1.00 0.48 O ATOM 0 H SER A 88 4.457 -3.189 2.143 1.00 0.46 H new ATOM 0 HA SER A 88 5.461 -2.136 -0.271 1.00 0.51 H new ATOM 0 HB2 SER A 88 3.004 -2.020 -0.849 1.00 0.56 H new ATOM 0 HB3 SER A 88 3.576 -3.593 -0.328 1.00 0.56 H new ATOM 0 HG SER A 88 2.617 -3.310 1.667 1.00 0.48 H new ATOM 1570 N ILE A 89 4.134 0.022 1.802 1.00 0.50 N ATOM 1571 CA ILE A 89 3.972 1.439 2.065 1.00 0.56 C ATOM 1572 C ILE A 89 5.316 2.164 2.113 1.00 0.55 C ATOM 1573 O ILE A 89 5.460 3.219 1.503 1.00 0.59 O ATOM 1574 CB ILE A 89 3.186 1.683 3.370 1.00 0.63 C ATOM 1575 CG1 ILE A 89 1.715 1.316 3.161 1.00 0.83 C ATOM 1576 CG2 ILE A 89 3.323 3.128 3.828 1.00 0.79 C ATOM 1577 CD1 ILE A 89 0.848 1.568 4.372 1.00 1.09 C ATOM 0 H ILE A 89 3.899 -0.582 2.589 1.00 0.50 H new ATOM 0 HA ILE A 89 3.397 1.850 1.235 1.00 0.56 H new ATOM 0 HB ILE A 89 3.602 1.049 4.153 1.00 0.63 H new ATOM 0 HG12 ILE A 89 1.323 1.887 2.320 1.00 0.83 H new ATOM 0 HG13 ILE A 89 1.648 0.262 2.890 1.00 0.83 H new ATOM 0 HG21 ILE A 89 2.759 3.273 4.750 1.00 0.79 H new ATOM 0 HG22 ILE A 89 4.374 3.355 4.006 1.00 0.79 H new ATOM 0 HG23 ILE A 89 2.934 3.793 3.057 1.00 0.79 H new ATOM 0 HD11 ILE A 89 -0.180 1.284 4.149 1.00 1.09 H new ATOM 0 HD12 ILE A 89 1.214 0.976 5.211 1.00 1.09 H new ATOM 0 HD13 ILE A 89 0.884 2.626 4.632 1.00 1.09 H new ATOM 1584 N GLU A 90 6.304 1.605 2.814 1.00 0.53 N ATOM 1585 CA GLU A 90 7.606 2.265 2.923 1.00 0.60 C ATOM 1586 C GLU A 90 8.273 2.387 1.552 1.00 0.56 C ATOM 1587 O GLU A 90 9.033 3.322 1.303 1.00 0.63 O ATOM 1588 CB GLU A 90 8.533 1.541 3.911 1.00 0.69 C ATOM 1589 CG GLU A 90 8.891 0.123 3.508 1.00 1.28 C ATOM 1590 CD GLU A 90 9.902 -0.513 4.436 1.00 2.08 C ATOM 1591 OE1 GLU A 90 9.535 -0.846 5.585 1.00 2.82 O ATOM 1592 OE2 GLU A 90 11.071 -0.672 4.033 1.00 2.41 O ATOM 0 H GLU A 90 6.231 0.714 3.306 1.00 0.53 H new ATOM 0 HA GLU A 90 7.427 3.267 3.313 1.00 0.60 H new ATOM 0 HB2 GLU A 90 9.451 2.118 4.019 1.00 0.69 H new ATOM 0 HB3 GLU A 90 8.054 1.518 4.890 1.00 0.69 H new ATOM 0 HG2 GLU A 90 7.986 -0.485 3.493 1.00 1.28 H new ATOM 0 HG3 GLU A 90 9.289 0.128 2.493 1.00 1.28 H new ATOM 1599 N ILE A 91 7.973 1.447 0.658 1.00 0.47 N ATOM 1600 CA ILE A 91 8.460 1.514 -0.710 1.00 0.46 C ATOM 1601 C ILE A 91 7.666 2.556 -1.495 1.00 0.47 C ATOM 1602 O ILE A 91 8.233 3.380 -2.215 1.00 0.51 O ATOM 1603 CB ILE A 91 8.349 0.146 -1.422 1.00 0.43 C ATOM 1604 CG1 ILE A 91 9.102 -0.931 -0.637 1.00 0.43 C ATOM 1605 CG2 ILE A 91 8.888 0.244 -2.843 1.00 0.49 C ATOM 1606 CD1 ILE A 91 9.004 -2.309 -1.253 1.00 0.45 C ATOM 0 H ILE A 91 7.395 0.632 0.861 1.00 0.47 H new ATOM 0 HA ILE A 91 9.512 1.796 -0.672 1.00 0.46 H new ATOM 0 HB ILE A 91 7.297 -0.135 -1.468 1.00 0.43 H new ATOM 0 HG12 ILE A 91 10.152 -0.648 -0.564 1.00 0.43 H new ATOM 0 HG13 ILE A 91 8.711 -0.968 0.380 1.00 0.43 H new ATOM 0 HG21 ILE A 91 8.803 -0.727 -3.332 1.00 0.49 H new ATOM 0 HG22 ILE A 91 8.312 0.983 -3.400 1.00 0.49 H new ATOM 0 HG23 ILE A 91 9.935 0.546 -2.815 1.00 0.49 H new ATOM 0 HD11 ILE A 91 9.561 -3.020 -0.643 1.00 0.45 H new ATOM 0 HD12 ILE A 91 7.958 -2.613 -1.301 1.00 0.45 H new ATOM 0 HD13 ILE A 91 9.422 -2.288 -2.259 1.00 0.45 H new ATOM 1613 N ALA A 92 6.346 2.525 -1.329 1.00 0.47 N ATOM 1614 CA ALA A 92 5.464 3.452 -2.016 1.00 0.53 C ATOM 1615 C ALA A 92 5.722 4.883 -1.563 1.00 0.60 C ATOM 1616 O ALA A 92 5.549 5.823 -2.338 1.00 0.64 O ATOM 1617 CB ALA A 92 4.010 3.068 -1.780 1.00 0.56 C ATOM 0 H ALA A 92 5.866 1.862 -0.720 1.00 0.47 H new ATOM 0 HA ALA A 92 5.670 3.395 -3.085 1.00 0.53 H new ATOM 0 HB1 ALA A 92 3.359 3.771 -2.300 1.00 0.56 H new ATOM 0 HB2 ALA A 92 3.834 2.061 -2.159 1.00 0.56 H new ATOM 0 HB3 ALA A 92 3.795 3.097 -0.712 1.00 0.56 H new ATOM 1623 N ARG A 93 6.131 5.034 -0.307 1.00 0.66 N ATOM 1624 CA ARG A 93 6.502 6.335 0.232 1.00 0.77 C ATOM 1625 C ARG A 93 7.600 6.966 -0.605 1.00 0.68 C ATOM 1626 O ARG A 93 7.445 8.080 -1.081 1.00 0.68 O ATOM 1627 CB ARG A 93 6.971 6.229 1.689 1.00 0.99 C ATOM 1628 CG ARG A 93 5.845 6.116 2.706 1.00 1.55 C ATOM 1629 CD ARG A 93 6.389 6.030 4.128 1.00 1.83 C ATOM 1630 NE ARG A 93 7.165 7.217 4.504 1.00 2.71 N ATOM 1631 CZ ARG A 93 8.263 7.185 5.265 1.00 3.44 C ATOM 1632 NH1 ARG A 93 8.697 6.031 5.764 1.00 3.55 N ATOM 1633 NH2 ARG A 93 8.913 8.310 5.540 1.00 4.42 N ATOM 0 H ARG A 93 6.214 4.266 0.359 1.00 0.66 H new ATOM 0 HA ARG A 93 5.612 6.964 0.200 1.00 0.77 H new ATOM 0 HB2 ARG A 93 7.620 5.359 1.786 1.00 0.99 H new ATOM 0 HB3 ARG A 93 7.574 7.105 1.928 1.00 0.99 H new ATOM 0 HG2 ARG A 93 5.185 6.979 2.618 1.00 1.55 H new ATOM 0 HG3 ARG A 93 5.244 5.232 2.490 1.00 1.55 H new ATOM 0 HD2 ARG A 93 5.560 5.906 4.824 1.00 1.83 H new ATOM 0 HD3 ARG A 93 7.018 5.144 4.220 1.00 1.83 H new ATOM 0 HE ARG A 93 6.846 8.124 4.163 1.00 2.71 H new ATOM 0 HH11 ARG A 93 8.191 5.167 5.566 1.00 3.55 H new ATOM 0 HH12 ARG A 93 9.535 6.010 6.345 1.00 3.55 H new ATOM 0 HH21 ARG A 93 8.574 9.198 5.170 1.00 4.42 H new ATOM 0 HH22 ARG A 93 9.751 8.286 6.121 1.00 4.42 H new ATOM 1647 N GLY A 94 8.676 6.219 -0.835 1.00 0.66 N ATOM 1648 CA GLY A 94 9.846 6.775 -1.491 1.00 0.65 C ATOM 1649 C GLY A 94 9.578 7.194 -2.922 1.00 0.56 C ATOM 1650 O GLY A 94 10.083 8.219 -3.380 1.00 0.56 O ATOM 0 H GLY A 94 8.758 5.235 -0.578 1.00 0.66 H new ATOM 0 HA2 GLY A 94 10.198 7.638 -0.925 1.00 0.65 H new ATOM 0 HA3 GLY A 94 10.648 6.037 -1.478 1.00 0.65 H new ATOM 1654 N ILE A 95 8.769 6.413 -3.622 1.00 0.52 N ATOM 1655 CA ILE A 95 8.460 6.690 -5.018 1.00 0.48 C ATOM 1656 C ILE A 95 7.714 8.011 -5.163 1.00 0.47 C ATOM 1657 O ILE A 95 8.128 8.889 -5.919 1.00 0.49 O ATOM 1658 CB ILE A 95 7.627 5.550 -5.642 1.00 0.50 C ATOM 1659 CG1 ILE A 95 8.430 4.251 -5.632 1.00 0.53 C ATOM 1660 CG2 ILE A 95 7.196 5.899 -7.063 1.00 0.52 C ATOM 1661 CD1 ILE A 95 9.711 4.320 -6.439 1.00 0.55 C ATOM 0 H ILE A 95 8.314 5.581 -3.246 1.00 0.52 H new ATOM 0 HA ILE A 95 9.408 6.762 -5.551 1.00 0.48 H new ATOM 0 HB ILE A 95 6.726 5.416 -5.043 1.00 0.50 H new ATOM 0 HG12 ILE A 95 8.674 3.993 -4.601 1.00 0.53 H new ATOM 0 HG13 ILE A 95 7.807 3.446 -6.023 1.00 0.53 H new ATOM 0 HG21 ILE A 95 6.611 5.078 -7.478 1.00 0.52 H new ATOM 0 HG22 ILE A 95 6.590 6.805 -7.047 1.00 0.52 H new ATOM 0 HG23 ILE A 95 8.079 6.064 -7.681 1.00 0.52 H new ATOM 0 HD11 ILE A 95 10.227 3.361 -6.385 1.00 0.55 H new ATOM 0 HD12 ILE A 95 9.474 4.547 -7.479 1.00 0.55 H new ATOM 0 HD13 ILE A 95 10.354 5.102 -6.035 1.00 0.55 H new ATOM 1668 N LYS A 96 6.629 8.166 -4.420 1.00 0.50 N ATOM 1669 CA LYS A 96 5.833 9.375 -4.529 1.00 0.54 C ATOM 1670 C LYS A 96 6.413 10.485 -3.661 1.00 0.57 C ATOM 1671 O LYS A 96 6.069 11.638 -3.853 1.00 0.83 O ATOM 1672 CB LYS A 96 4.346 9.153 -4.202 1.00 0.64 C ATOM 1673 CG LYS A 96 3.617 8.141 -5.084 1.00 1.47 C ATOM 1674 CD LYS A 96 3.987 6.701 -4.746 1.00 1.78 C ATOM 1675 CE LYS A 96 2.964 5.717 -5.292 1.00 1.90 C ATOM 1676 NZ LYS A 96 3.384 4.305 -5.088 1.00 2.70 N ATOM 0 H LYS A 96 6.285 7.482 -3.746 1.00 0.50 H new ATOM 0 HA LYS A 96 5.879 9.678 -5.575 1.00 0.54 H new ATOM 0 HB2 LYS A 96 4.266 8.827 -3.165 1.00 0.64 H new ATOM 0 HB3 LYS A 96 3.830 10.110 -4.276 1.00 0.64 H new ATOM 0 HG2 LYS A 96 2.541 8.273 -4.970 1.00 1.47 H new ATOM 0 HG3 LYS A 96 3.853 8.338 -6.130 1.00 1.47 H new ATOM 0 HD2 LYS A 96 4.970 6.471 -5.158 1.00 1.78 H new ATOM 0 HD3 LYS A 96 4.060 6.588 -3.664 1.00 1.78 H new ATOM 0 HE2 LYS A 96 2.004 5.884 -4.803 1.00 1.90 H new ATOM 0 HE3 LYS A 96 2.816 5.901 -6.356 1.00 1.90 H new ATOM 0 HZ1 LYS A 96 2.588 3.759 -4.701 1.00 2.70 H new ATOM 0 HZ2 LYS A 96 3.676 3.895 -5.998 1.00 2.70 H new ATOM 0 HZ3 LYS A 96 4.182 4.273 -4.422 1.00 2.70 H new ATOM 1690 N ALA A 97 7.329 10.165 -2.762 1.00 0.50 N ATOM 1691 CA ALA A 97 8.085 11.204 -2.061 1.00 0.53 C ATOM 1692 C ALA A 97 8.971 11.958 -3.042 1.00 0.46 C ATOM 1693 O ALA A 97 9.328 13.115 -2.815 1.00 0.48 O ATOM 1694 CB ALA A 97 8.933 10.611 -0.946 1.00 0.63 C ATOM 0 H ALA A 97 7.569 9.209 -2.499 1.00 0.50 H new ATOM 0 HA ALA A 97 7.371 11.896 -1.614 1.00 0.53 H new ATOM 0 HB1 ALA A 97 9.483 11.407 -0.444 1.00 0.63 H new ATOM 0 HB2 ALA A 97 8.288 10.107 -0.227 1.00 0.63 H new ATOM 0 HB3 ALA A 97 9.637 9.894 -1.367 1.00 0.63 H new ATOM 1700 N ARG A 98 9.317 11.301 -4.136 1.00 0.41 N ATOM 1701 CA ARG A 98 10.072 11.939 -5.197 1.00 0.44 C ATOM 1702 C ARG A 98 9.123 12.619 -6.179 1.00 0.44 C ATOM 1703 O ARG A 98 9.494 13.593 -6.822 1.00 0.53 O ATOM 1704 CB ARG A 98 10.970 10.930 -5.913 1.00 0.51 C ATOM 1705 CG ARG A 98 12.006 10.284 -5.012 1.00 1.02 C ATOM 1706 CD ARG A 98 12.584 9.029 -5.644 1.00 0.81 C ATOM 1707 NE ARG A 98 13.195 9.290 -6.947 1.00 1.51 N ATOM 1708 CZ ARG A 98 13.548 8.336 -7.809 1.00 1.94 C ATOM 1709 NH1 ARG A 98 13.383 7.054 -7.496 1.00 1.37 N ATOM 1710 NH2 ARG A 98 14.073 8.669 -8.983 1.00 3.10 N ATOM 0 H ARG A 98 9.086 10.323 -4.311 1.00 0.41 H new ATOM 0 HA ARG A 98 10.717 12.699 -4.755 1.00 0.44 H new ATOM 0 HB2 ARG A 98 10.347 10.151 -6.352 1.00 0.51 H new ATOM 0 HB3 ARG A 98 11.480 11.431 -6.736 1.00 0.51 H new ATOM 0 HG2 ARG A 98 12.808 10.994 -4.810 1.00 1.02 H new ATOM 0 HG3 ARG A 98 11.552 10.034 -4.053 1.00 1.02 H new ATOM 0 HD2 ARG A 98 13.330 8.600 -4.976 1.00 0.81 H new ATOM 0 HD3 ARG A 98 11.794 8.287 -5.759 1.00 0.81 H new ATOM 0 HE ARG A 98 13.361 10.261 -7.212 1.00 1.51 H new ATOM 0 HH11 ARG A 98 12.985 6.797 -6.593 1.00 1.37 H new ATOM 0 HH12 ARG A 98 13.655 6.328 -8.159 1.00 1.37 H new ATOM 0 HH21 ARG A 98 14.205 9.652 -9.222 1.00 3.10 H new ATOM 0 HH22 ARG A 98 14.344 7.942 -9.645 1.00 3.10 H new ATOM 1724 N TYR A 99 7.886 12.153 -6.261 1.00 0.44 N ATOM 1725 CA TYR A 99 6.894 12.845 -7.074 1.00 0.50 C ATOM 1726 C TYR A 99 6.432 14.107 -6.360 1.00 0.54 C ATOM 1727 O TYR A 99 6.244 15.146 -6.986 1.00 0.64 O ATOM 1728 CB TYR A 99 5.683 11.957 -7.390 1.00 0.53 C ATOM 1729 CG TYR A 99 5.868 11.076 -8.607 1.00 0.59 C ATOM 1730 CD1 TYR A 99 6.233 11.627 -9.830 1.00 0.73 C ATOM 1731 CD2 TYR A 99 5.667 9.702 -8.539 1.00 0.60 C ATOM 1732 CE1 TYR A 99 6.397 10.835 -10.949 1.00 0.85 C ATOM 1733 CE2 TYR A 99 5.829 8.904 -9.656 1.00 0.71 C ATOM 1734 CZ TYR A 99 6.196 9.475 -10.858 1.00 0.83 C ATOM 1735 OH TYR A 99 6.366 8.685 -11.972 1.00 0.97 O ATOM 0 H TYR A 99 7.548 11.316 -5.786 1.00 0.44 H new ATOM 0 HA TYR A 99 7.369 13.103 -8.020 1.00 0.50 H new ATOM 0 HB2 TYR A 99 5.472 11.327 -6.526 1.00 0.53 H new ATOM 0 HB3 TYR A 99 4.810 12.591 -7.542 1.00 0.53 H new ATOM 0 HD1 TYR A 99 6.391 12.693 -9.906 1.00 0.73 H new ATOM 0 HD2 TYR A 99 5.380 9.252 -7.600 1.00 0.60 H new ATOM 0 HE1 TYR A 99 6.682 11.279 -11.891 1.00 0.85 H new ATOM 0 HE2 TYR A 99 5.669 7.838 -9.589 1.00 0.71 H new ATOM 0 HH TYR A 99 7.308 8.700 -12.243 1.00 0.97 H new ATOM 1745 N TYR A 100 6.301 14.004 -5.039 1.00 0.51 N ATOM 1746 CA TYR A 100 5.792 15.088 -4.202 1.00 0.58 C ATOM 1747 C TYR A 100 6.534 16.398 -4.417 1.00 0.58 C ATOM 1748 O TYR A 100 5.964 17.467 -4.209 1.00 0.71 O ATOM 1749 CB TYR A 100 5.859 14.720 -2.719 1.00 0.57 C ATOM 1750 CG TYR A 100 4.557 14.191 -2.160 1.00 0.72 C ATOM 1751 CD1 TYR A 100 3.532 15.049 -1.791 1.00 1.03 C ATOM 1752 CD2 TYR A 100 4.352 12.826 -2.013 1.00 0.97 C ATOM 1753 CE1 TYR A 100 2.342 14.569 -1.291 1.00 1.26 C ATOM 1754 CE2 TYR A 100 3.161 12.336 -1.516 1.00 1.16 C ATOM 1755 CZ TYR A 100 2.173 13.225 -1.110 1.00 1.21 C ATOM 1756 OH TYR A 100 0.970 12.734 -0.661 1.00 1.48 O ATOM 0 H TYR A 100 6.546 13.163 -4.517 1.00 0.51 H new ATOM 0 HA TYR A 100 4.754 15.231 -4.503 1.00 0.58 H new ATOM 0 HB2 TYR A 100 6.636 13.969 -2.576 1.00 0.57 H new ATOM 0 HB3 TYR A 100 6.157 15.600 -2.149 1.00 0.57 H new ATOM 0 HD1 TYR A 100 3.670 16.115 -1.898 1.00 1.03 H new ATOM 0 HD2 TYR A 100 5.136 12.137 -2.292 1.00 0.97 H new ATOM 0 HE1 TYR A 100 1.544 15.253 -1.042 1.00 1.26 H new ATOM 0 HE2 TYR A 100 2.998 11.271 -1.443 1.00 1.16 H new ATOM 0 HH TYR A 100 0.437 13.466 -0.287 1.00 1.48 H new ATOM 1766 N THR A 101 7.797 16.345 -4.823 1.00 0.55 N ATOM 1767 CA THR A 101 8.536 17.590 -4.949 1.00 0.66 C ATOM 1768 C THR A 101 9.268 17.726 -6.286 1.00 0.71 C ATOM 1769 O THR A 101 10.343 18.321 -6.359 1.00 0.71 O ATOM 1770 CB THR A 101 9.498 17.781 -3.772 1.00 0.71 C ATOM 1771 OG1 THR A 101 10.230 16.567 -3.552 1.00 0.65 O ATOM 1772 CG2 THR A 101 8.742 18.150 -2.513 1.00 0.87 C ATOM 0 H THR A 101 8.310 15.496 -5.060 1.00 0.55 H new ATOM 0 HA THR A 101 7.794 18.388 -4.926 1.00 0.66 H new ATOM 0 HB THR A 101 10.186 18.592 -4.013 1.00 0.71 H new ATOM 0 HG1 THR A 101 10.753 16.351 -4.352 1.00 0.65 H new ATOM 0 HG21 THR A 101 9.446 18.280 -1.691 1.00 0.87 H new ATOM 0 HG22 THR A 101 8.197 19.080 -2.675 1.00 0.87 H new ATOM 0 HG23 THR A 101 8.038 17.356 -2.265 1.00 0.87 H new ATOM 1780 N GLY A 102 8.682 17.170 -7.339 1.00 0.82 N ATOM 1781 CA GLY A 102 9.181 17.418 -8.685 1.00 0.95 C ATOM 1782 C GLY A 102 10.401 16.591 -9.054 1.00 0.95 C ATOM 1783 O GLY A 102 10.930 16.719 -10.156 1.00 1.16 O ATOM 0 H GLY A 102 7.872 16.553 -7.289 1.00 0.82 H new ATOM 0 HA2 GLY A 102 8.385 17.211 -9.400 1.00 0.95 H new ATOM 0 HA3 GLY A 102 9.429 18.475 -8.780 1.00 0.95 H new ATOM 1787 N ASN A 103 10.845 15.739 -8.147 1.00 0.82 N ATOM 1788 CA ASN A 103 11.972 14.854 -8.422 1.00 0.89 C ATOM 1789 C ASN A 103 11.449 13.564 -9.042 1.00 0.98 C ATOM 1790 O ASN A 103 11.751 12.465 -8.581 1.00 1.83 O ATOM 1791 CB ASN A 103 12.747 14.561 -7.133 1.00 0.90 C ATOM 1792 CG ASN A 103 13.405 15.801 -6.559 1.00 1.28 C ATOM 1793 OD1 ASN A 103 13.831 16.694 -7.291 1.00 1.76 O ATOM 1794 ND2 ASN A 103 13.488 15.870 -5.242 1.00 1.65 N ATOM 0 H ASN A 103 10.446 15.638 -7.214 1.00 0.82 H new ATOM 0 HA ASN A 103 12.656 15.337 -9.120 1.00 0.89 H new ATOM 0 HB2 ASN A 103 12.068 14.137 -6.393 1.00 0.90 H new ATOM 0 HB3 ASN A 103 13.509 13.808 -7.334 1.00 0.90 H new ATOM 0 HD21 ASN A 103 13.916 16.683 -4.800 1.00 1.65 H new ATOM 0 HD22 ASN A 103 13.124 15.110 -4.668 1.00 1.65 H new ATOM 1801 N GLU A 104 10.667 13.740 -10.099 1.00 0.56 N ATOM 1802 CA GLU A 104 9.879 12.675 -10.713 1.00 0.56 C ATOM 1803 C GLU A 104 10.705 11.440 -11.075 1.00 0.49 C ATOM 1804 O GLU A 104 11.598 11.505 -11.923 1.00 0.55 O ATOM 1805 CB GLU A 104 9.203 13.227 -11.965 1.00 0.67 C ATOM 1806 CG GLU A 104 8.306 14.420 -11.681 1.00 0.80 C ATOM 1807 CD GLU A 104 7.854 15.119 -12.940 1.00 1.15 C ATOM 1808 OE1 GLU A 104 7.032 14.539 -13.684 1.00 1.75 O ATOM 1809 OE2 GLU A 104 8.319 16.244 -13.202 1.00 1.17 O ATOM 0 H GLU A 104 10.559 14.642 -10.563 1.00 0.56 H new ATOM 0 HA GLU A 104 9.144 12.348 -9.978 1.00 0.56 H new ATOM 0 HB2 GLU A 104 9.968 13.518 -12.685 1.00 0.67 H new ATOM 0 HB3 GLU A 104 8.612 12.438 -12.429 1.00 0.67 H new ATOM 0 HG2 GLU A 104 7.432 14.088 -11.121 1.00 0.80 H new ATOM 0 HG3 GLU A 104 8.840 15.129 -11.048 1.00 0.80 H new ATOM 1816 N PRO A 105 10.416 10.298 -10.424 1.00 0.44 N ATOM 1817 CA PRO A 105 11.005 9.005 -10.786 1.00 0.44 C ATOM 1818 C PRO A 105 10.568 8.572 -12.180 1.00 0.42 C ATOM 1819 O PRO A 105 9.496 8.968 -12.650 1.00 0.47 O ATOM 1820 CB PRO A 105 10.446 8.040 -9.734 1.00 0.48 C ATOM 1821 CG PRO A 105 9.254 8.714 -9.159 1.00 0.53 C ATOM 1822 CD PRO A 105 9.507 10.187 -9.271 1.00 0.49 C ATOM 0 HA PRO A 105 12.094 9.038 -10.805 1.00 0.44 H new ATOM 0 HB2 PRO A 105 10.176 7.085 -10.184 1.00 0.48 H new ATOM 0 HB3 PRO A 105 11.187 7.831 -8.962 1.00 0.48 H new ATOM 0 HG2 PRO A 105 8.350 8.433 -9.699 1.00 0.53 H new ATOM 0 HG3 PRO A 105 9.107 8.423 -8.119 1.00 0.53 H new ATOM 0 HD2 PRO A 105 8.583 10.741 -9.435 1.00 0.49 H new ATOM 0 HD3 PRO A 105 9.961 10.586 -8.364 1.00 0.49 H new ATOM 1830 N THR A 106 11.375 7.759 -12.838 1.00 0.42 N ATOM 1831 CA THR A 106 11.026 7.281 -14.162 1.00 0.42 C ATOM 1832 C THR A 106 10.178 6.015 -14.034 1.00 0.39 C ATOM 1833 O THR A 106 10.014 5.504 -12.925 1.00 0.41 O ATOM 1834 CB THR A 106 12.282 7.018 -15.024 1.00 0.50 C ATOM 1835 OG1 THR A 106 11.913 6.782 -16.391 1.00 1.48 O ATOM 1836 CG2 THR A 106 13.069 5.833 -14.497 1.00 1.05 C ATOM 0 H THR A 106 12.268 7.419 -12.481 1.00 0.42 H new ATOM 0 HA THR A 106 10.449 8.054 -14.670 1.00 0.42 H new ATOM 0 HB THR A 106 12.912 7.906 -14.970 1.00 0.50 H new ATOM 0 HG1 THR A 106 12.719 6.619 -16.924 1.00 1.48 H new ATOM 0 HG21 THR A 106 13.947 5.672 -15.123 1.00 1.05 H new ATOM 0 HG22 THR A 106 13.385 6.033 -13.473 1.00 1.05 H new ATOM 0 HG23 THR A 106 12.441 4.942 -14.516 1.00 1.05 H new ATOM 1844 N LYS A 107 9.640 5.501 -15.133 1.00 0.39 N ATOM 1845 CA LYS A 107 8.749 4.347 -15.045 1.00 0.39 C ATOM 1846 C LYS A 107 9.502 3.117 -14.530 1.00 0.36 C ATOM 1847 O LYS A 107 8.902 2.201 -13.964 1.00 0.38 O ATOM 1848 CB LYS A 107 8.074 4.063 -16.393 1.00 0.43 C ATOM 1849 CG LYS A 107 7.039 2.947 -16.330 1.00 1.33 C ATOM 1850 CD LYS A 107 6.064 3.005 -17.497 1.00 1.66 C ATOM 1851 CE LYS A 107 6.757 2.832 -18.839 1.00 2.22 C ATOM 1852 NZ LYS A 107 5.800 2.944 -19.972 1.00 2.88 N ATOM 0 H LYS A 107 9.799 5.854 -16.077 1.00 0.39 H new ATOM 0 HA LYS A 107 7.962 4.583 -14.328 1.00 0.39 H new ATOM 0 HB2 LYS A 107 7.593 4.974 -16.749 1.00 0.43 H new ATOM 0 HB3 LYS A 107 8.838 3.799 -17.125 1.00 0.43 H new ATOM 0 HG2 LYS A 107 7.546 1.982 -16.329 1.00 1.33 H new ATOM 0 HG3 LYS A 107 6.487 3.017 -15.393 1.00 1.33 H new ATOM 0 HD2 LYS A 107 5.311 2.226 -17.377 1.00 1.66 H new ATOM 0 HD3 LYS A 107 5.540 3.961 -17.482 1.00 1.66 H new ATOM 0 HE2 LYS A 107 7.537 3.586 -18.946 1.00 2.22 H new ATOM 0 HE3 LYS A 107 7.248 1.859 -18.872 1.00 2.22 H new ATOM 0 HZ1 LYS A 107 6.309 2.821 -20.870 1.00 2.88 H new ATOM 0 HZ2 LYS A 107 5.070 2.208 -19.884 1.00 2.88 H new ATOM 0 HZ3 LYS A 107 5.350 3.882 -19.955 1.00 2.88 H new ATOM 1866 N ASP A 108 10.823 3.115 -14.696 1.00 0.36 N ATOM 1867 CA ASP A 108 11.657 2.040 -14.162 1.00 0.38 C ATOM 1868 C ASP A 108 11.562 2.007 -12.643 1.00 0.36 C ATOM 1869 O ASP A 108 11.420 0.940 -12.047 1.00 0.38 O ATOM 1870 CB ASP A 108 13.126 2.202 -14.571 1.00 0.47 C ATOM 1871 CG ASP A 108 13.348 2.105 -16.065 1.00 1.29 C ATOM 1872 OD1 ASP A 108 13.433 0.976 -16.591 1.00 1.26 O ATOM 1873 OD2 ASP A 108 13.451 3.164 -16.720 1.00 2.24 O ATOM 0 H ASP A 108 11.337 3.842 -15.194 1.00 0.36 H new ATOM 0 HA ASP A 108 11.286 1.104 -14.580 1.00 0.38 H new ATOM 0 HB2 ASP A 108 13.489 3.168 -14.219 1.00 0.47 H new ATOM 0 HB3 ASP A 108 13.721 1.437 -14.072 1.00 0.47 H new ATOM 1878 N ASP A 109 11.628 3.185 -12.018 1.00 0.36 N ATOM 1879 CA ASP A 109 11.490 3.299 -10.570 1.00 0.37 C ATOM 1880 C ASP A 109 10.165 2.708 -10.121 1.00 0.34 C ATOM 1881 O ASP A 109 10.095 1.964 -9.141 1.00 0.36 O ATOM 1882 CB ASP A 109 11.551 4.767 -10.135 1.00 0.39 C ATOM 1883 CG ASP A 109 12.925 5.387 -10.301 1.00 0.88 C ATOM 1884 OD1 ASP A 109 13.799 5.152 -9.440 1.00 0.94 O ATOM 1885 OD2 ASP A 109 13.148 6.100 -11.307 1.00 1.73 O ATOM 0 H ASP A 109 11.777 4.074 -12.496 1.00 0.36 H new ATOM 0 HA ASP A 109 12.313 2.752 -10.110 1.00 0.37 H new ATOM 0 HB2 ASP A 109 10.829 5.341 -10.716 1.00 0.39 H new ATOM 0 HB3 ASP A 109 11.251 4.841 -9.090 1.00 0.39 H new ATOM 1890 N LEU A 110 9.118 3.042 -10.865 1.00 0.30 N ATOM 1891 CA LEU A 110 7.766 2.599 -10.559 1.00 0.30 C ATOM 1892 C LEU A 110 7.620 1.097 -10.759 1.00 0.29 C ATOM 1893 O LEU A 110 7.114 0.394 -9.885 1.00 0.33 O ATOM 1894 CB LEU A 110 6.745 3.342 -11.434 1.00 0.30 C ATOM 1895 CG LEU A 110 6.363 4.759 -10.988 1.00 0.38 C ATOM 1896 CD1 LEU A 110 7.588 5.600 -10.698 1.00 0.82 C ATOM 1897 CD2 LEU A 110 5.501 5.428 -12.047 1.00 0.82 C ATOM 0 H LEU A 110 9.184 3.628 -11.697 1.00 0.30 H new ATOM 0 HA LEU A 110 7.572 2.827 -9.511 1.00 0.30 H new ATOM 0 HB2 LEU A 110 7.142 3.399 -12.448 1.00 0.30 H new ATOM 0 HB3 LEU A 110 5.836 2.743 -11.481 1.00 0.30 H new ATOM 0 HG LEU A 110 5.792 4.676 -10.063 1.00 0.38 H new ATOM 0 HD11 LEU A 110 7.279 6.597 -10.385 1.00 0.82 H new ATOM 0 HD12 LEU A 110 8.169 5.134 -9.903 1.00 0.82 H new ATOM 0 HD13 LEU A 110 8.199 5.675 -11.598 1.00 0.82 H new ATOM 0 HD21 LEU A 110 5.236 6.433 -11.719 1.00 0.82 H new ATOM 0 HD22 LEU A 110 6.055 5.486 -12.984 1.00 0.82 H new ATOM 0 HD23 LEU A 110 4.593 4.845 -12.198 1.00 0.82 H new ATOM 1909 N LYS A 111 8.081 0.599 -11.902 1.00 0.28 N ATOM 1910 CA LYS A 111 7.932 -0.815 -12.220 1.00 0.31 C ATOM 1911 C LYS A 111 8.716 -1.666 -11.222 1.00 0.33 C ATOM 1912 O LYS A 111 8.314 -2.777 -10.884 1.00 0.35 O ATOM 1913 CB LYS A 111 8.371 -1.099 -13.669 1.00 0.37 C ATOM 1914 CG LYS A 111 9.871 -1.240 -13.881 1.00 0.93 C ATOM 1915 CD LYS A 111 10.231 -1.213 -15.364 1.00 0.92 C ATOM 1916 CE LYS A 111 9.509 -2.296 -16.161 1.00 1.02 C ATOM 1917 NZ LYS A 111 9.927 -3.667 -15.765 1.00 1.74 N ATOM 0 H LYS A 111 8.557 1.149 -12.617 1.00 0.28 H new ATOM 0 HA LYS A 111 6.879 -1.083 -12.139 1.00 0.31 H new ATOM 0 HB2 LYS A 111 7.886 -2.016 -14.004 1.00 0.37 H new ATOM 0 HB3 LYS A 111 8.005 -0.294 -14.306 1.00 0.37 H new ATOM 0 HG2 LYS A 111 10.390 -0.432 -13.365 1.00 0.93 H new ATOM 0 HG3 LYS A 111 10.216 -2.175 -13.439 1.00 0.93 H new ATOM 0 HD2 LYS A 111 9.982 -0.236 -15.777 1.00 0.92 H new ATOM 0 HD3 LYS A 111 11.308 -1.341 -15.476 1.00 0.92 H new ATOM 0 HE2 LYS A 111 8.433 -2.192 -16.018 1.00 1.02 H new ATOM 0 HE3 LYS A 111 9.705 -2.152 -17.224 1.00 1.02 H new ATOM 0 HZ1 LYS A 111 10.010 -4.263 -16.613 1.00 1.74 H new ATOM 0 HZ2 LYS A 111 10.846 -3.623 -15.281 1.00 1.74 H new ATOM 0 HZ3 LYS A 111 9.217 -4.075 -15.124 1.00 1.74 H new ATOM 1931 N ALA A 112 9.831 -1.124 -10.742 1.00 0.36 N ATOM 1932 CA ALA A 112 10.627 -1.782 -9.718 1.00 0.42 C ATOM 1933 C ALA A 112 9.940 -1.725 -8.355 1.00 0.43 C ATOM 1934 O ALA A 112 9.943 -2.706 -7.612 1.00 0.47 O ATOM 1935 CB ALA A 112 12.006 -1.147 -9.638 1.00 0.46 C ATOM 0 H ALA A 112 10.203 -0.226 -11.050 1.00 0.36 H new ATOM 0 HA ALA A 112 10.731 -2.831 -9.996 1.00 0.42 H new ATOM 0 HB1 ALA A 112 12.593 -1.648 -8.868 1.00 0.46 H new ATOM 0 HB2 ALA A 112 12.509 -1.247 -10.600 1.00 0.46 H new ATOM 0 HB3 ALA A 112 11.906 -0.091 -9.389 1.00 0.46 H new ATOM 1941 N SER A 113 9.346 -0.579 -8.030 1.00 0.41 N ATOM 1942 CA SER A 113 8.714 -0.400 -6.729 1.00 0.45 C ATOM 1943 C SER A 113 7.555 -1.368 -6.524 1.00 0.40 C ATOM 1944 O SER A 113 7.336 -1.850 -5.415 1.00 0.44 O ATOM 1945 CB SER A 113 8.234 1.044 -6.539 1.00 0.54 C ATOM 1946 OG SER A 113 7.257 1.416 -7.498 1.00 1.34 O ATOM 0 H SER A 113 9.290 0.233 -8.645 1.00 0.41 H new ATOM 0 HA SER A 113 9.473 -0.618 -5.977 1.00 0.45 H new ATOM 0 HB2 SER A 113 7.819 1.158 -5.538 1.00 0.54 H new ATOM 0 HB3 SER A 113 9.086 1.720 -6.610 1.00 0.54 H new ATOM 0 HG SER A 113 7.415 0.928 -8.333 1.00 1.34 H new ATOM 1952 N VAL A 114 6.825 -1.678 -7.591 1.00 0.36 N ATOM 1953 CA VAL A 114 5.684 -2.566 -7.478 1.00 0.36 C ATOM 1954 C VAL A 114 6.162 -4.014 -7.558 1.00 0.35 C ATOM 1955 O VAL A 114 5.514 -4.935 -7.068 1.00 0.37 O ATOM 1956 CB VAL A 114 4.635 -2.282 -8.579 1.00 0.36 C ATOM 1957 CG1 VAL A 114 4.426 -0.786 -8.753 1.00 0.65 C ATOM 1958 CG2 VAL A 114 5.008 -2.925 -9.900 1.00 0.56 C ATOM 0 H VAL A 114 7.004 -1.329 -8.533 1.00 0.36 H new ATOM 0 HA VAL A 114 5.202 -2.392 -6.516 1.00 0.36 H new ATOM 0 HB VAL A 114 3.697 -2.730 -8.252 1.00 0.36 H new ATOM 0 HG11 VAL A 114 3.684 -0.610 -9.532 1.00 0.65 H new ATOM 0 HG12 VAL A 114 4.075 -0.356 -7.815 1.00 0.65 H new ATOM 0 HG13 VAL A 114 5.368 -0.318 -9.037 1.00 0.65 H new ATOM 0 HG21 VAL A 114 4.243 -2.699 -10.643 1.00 0.56 H new ATOM 0 HG22 VAL A 114 5.968 -2.534 -10.237 1.00 0.56 H new ATOM 0 HG23 VAL A 114 5.081 -4.005 -9.771 1.00 0.56 H new ATOM 1962 N LYS A 115 7.316 -4.192 -8.186 1.00 0.35 N ATOM 1963 CA LYS A 115 7.973 -5.475 -8.264 1.00 0.37 C ATOM 1964 C LYS A 115 8.362 -5.980 -6.885 1.00 0.35 C ATOM 1965 O LYS A 115 8.187 -7.159 -6.582 1.00 0.37 O ATOM 1966 CB LYS A 115 9.221 -5.364 -9.132 1.00 0.48 C ATOM 1967 CG LYS A 115 9.903 -6.694 -9.365 1.00 0.84 C ATOM 1968 CD LYS A 115 11.146 -6.545 -10.223 1.00 0.81 C ATOM 1969 CE LYS A 115 10.797 -6.152 -11.647 1.00 1.16 C ATOM 1970 NZ LYS A 115 12.002 -6.073 -12.506 1.00 1.72 N ATOM 0 H LYS A 115 7.820 -3.441 -8.657 1.00 0.35 H new ATOM 0 HA LYS A 115 7.274 -6.185 -8.706 1.00 0.37 H new ATOM 0 HB2 LYS A 115 8.950 -4.928 -10.094 1.00 0.48 H new ATOM 0 HB3 LYS A 115 9.925 -4.679 -8.659 1.00 0.48 H new ATOM 0 HG2 LYS A 115 10.173 -7.137 -8.407 1.00 0.84 H new ATOM 0 HG3 LYS A 115 9.207 -7.380 -9.848 1.00 0.84 H new ATOM 0 HD2 LYS A 115 11.802 -5.791 -9.787 1.00 0.81 H new ATOM 0 HD3 LYS A 115 11.700 -7.484 -10.229 1.00 0.81 H new ATOM 0 HE2 LYS A 115 10.100 -6.879 -12.064 1.00 1.16 H new ATOM 0 HE3 LYS A 115 10.289 -5.188 -11.644 1.00 1.16 H new ATOM 0 HZ1 LYS A 115 11.723 -5.802 -13.471 1.00 1.72 H new ATOM 0 HZ2 LYS A 115 12.656 -5.362 -12.122 1.00 1.72 H new ATOM 0 HZ3 LYS A 115 12.473 -7.000 -12.529 1.00 1.72 H new ATOM 1984 N GLU A 116 8.890 -5.100 -6.043 1.00 0.36 N ATOM 1985 CA GLU A 116 9.318 -5.526 -4.721 1.00 0.38 C ATOM 1986 C GLU A 116 8.123 -5.891 -3.853 1.00 0.37 C ATOM 1987 O GLU A 116 8.190 -6.848 -3.097 1.00 0.38 O ATOM 1988 CB GLU A 116 10.183 -4.485 -4.016 1.00 0.43 C ATOM 1989 CG GLU A 116 11.501 -4.200 -4.706 1.00 0.80 C ATOM 1990 CD GLU A 116 12.529 -3.636 -3.751 1.00 1.30 C ATOM 1991 OE1 GLU A 116 13.139 -4.414 -2.987 1.00 1.32 O ATOM 1992 OE2 GLU A 116 12.747 -2.405 -3.776 1.00 2.27 O ATOM 0 H GLU A 116 9.029 -4.110 -6.247 1.00 0.36 H new ATOM 0 HA GLU A 116 9.936 -6.412 -4.869 1.00 0.38 H new ATOM 0 HB2 GLU A 116 9.620 -3.555 -3.936 1.00 0.43 H new ATOM 0 HB3 GLU A 116 10.384 -4.824 -3.000 1.00 0.43 H new ATOM 0 HG2 GLU A 116 11.884 -5.119 -5.150 1.00 0.80 H new ATOM 0 HG3 GLU A 116 11.339 -3.495 -5.522 1.00 0.80 H new ATOM 1999 N VAL A 117 7.021 -5.170 -3.979 1.00 0.36 N ATOM 2000 CA VAL A 117 5.830 -5.513 -3.209 1.00 0.38 C ATOM 2001 C VAL A 117 5.288 -6.868 -3.667 1.00 0.38 C ATOM 2002 O VAL A 117 4.679 -7.596 -2.895 1.00 0.43 O ATOM 2003 CB VAL A 117 4.728 -4.428 -3.301 1.00 0.43 C ATOM 2004 CG1 VAL A 117 5.330 -3.041 -3.160 1.00 0.81 C ATOM 2005 CG2 VAL A 117 3.927 -4.540 -4.586 1.00 0.78 C ATOM 0 H VAL A 117 6.923 -4.361 -4.592 1.00 0.36 H new ATOM 0 HA VAL A 117 6.125 -5.572 -2.161 1.00 0.38 H new ATOM 0 HB VAL A 117 4.037 -4.594 -2.474 1.00 0.43 H new ATOM 0 HG11 VAL A 117 4.540 -2.293 -3.227 1.00 0.81 H new ATOM 0 HG12 VAL A 117 5.828 -2.957 -2.194 1.00 0.81 H new ATOM 0 HG13 VAL A 117 6.055 -2.876 -3.957 1.00 0.81 H new ATOM 0 HG21 VAL A 117 3.166 -3.760 -4.609 1.00 0.78 H new ATOM 0 HG22 VAL A 117 4.593 -4.423 -5.441 1.00 0.78 H new ATOM 0 HG23 VAL A 117 3.447 -5.518 -4.631 1.00 0.78 H new ATOM 2009 N LEU A 118 5.542 -7.217 -4.922 1.00 0.36 N ATOM 2010 CA LEU A 118 5.223 -8.554 -5.407 1.00 0.36 C ATOM 2011 C LEU A 118 6.229 -9.550 -4.860 1.00 0.36 C ATOM 2012 O LEU A 118 5.871 -10.662 -4.509 1.00 0.38 O ATOM 2013 CB LEU A 118 5.239 -8.607 -6.936 1.00 0.41 C ATOM 2014 CG LEU A 118 4.123 -7.847 -7.653 1.00 0.49 C ATOM 2015 CD1 LEU A 118 4.455 -7.714 -9.122 1.00 1.21 C ATOM 2016 CD2 LEU A 118 2.791 -8.561 -7.504 1.00 0.88 C ATOM 0 H LEU A 118 5.964 -6.600 -5.616 1.00 0.36 H new ATOM 0 HA LEU A 118 4.220 -8.808 -5.063 1.00 0.36 H new ATOM 0 HB2 LEU A 118 6.196 -8.216 -7.282 1.00 0.41 H new ATOM 0 HB3 LEU A 118 5.193 -9.652 -7.242 1.00 0.41 H new ATOM 0 HG LEU A 118 4.042 -6.860 -7.199 1.00 0.49 H new ATOM 0 HD11 LEU A 118 3.656 -7.172 -9.628 1.00 1.21 H new ATOM 0 HD12 LEU A 118 5.392 -7.169 -9.235 1.00 1.21 H new ATOM 0 HD13 LEU A 118 4.556 -8.705 -9.563 1.00 1.21 H new ATOM 0 HD21 LEU A 118 2.016 -7.998 -8.024 1.00 0.88 H new ATOM 0 HD22 LEU A 118 2.864 -9.560 -7.934 1.00 0.88 H new ATOM 0 HD23 LEU A 118 2.536 -8.638 -6.447 1.00 0.88 H new ATOM 2028 N LYS A 119 7.486 -9.136 -4.775 1.00 0.36 N ATOM 2029 CA LYS A 119 8.536 -9.976 -4.233 1.00 0.37 C ATOM 2030 C LYS A 119 8.179 -10.390 -2.810 1.00 0.36 C ATOM 2031 O LYS A 119 8.352 -11.543 -2.419 1.00 0.38 O ATOM 2032 CB LYS A 119 9.868 -9.221 -4.272 1.00 0.39 C ATOM 2033 CG LYS A 119 10.983 -9.916 -3.524 1.00 0.43 C ATOM 2034 CD LYS A 119 12.306 -9.172 -3.645 1.00 0.67 C ATOM 2035 CE LYS A 119 12.232 -7.769 -3.059 1.00 0.57 C ATOM 2036 NZ LYS A 119 13.551 -7.083 -3.091 1.00 0.95 N ATOM 0 H LYS A 119 7.801 -8.215 -5.078 1.00 0.36 H new ATOM 0 HA LYS A 119 8.636 -10.879 -4.835 1.00 0.37 H new ATOM 0 HB2 LYS A 119 10.169 -9.086 -5.311 1.00 0.39 H new ATOM 0 HB3 LYS A 119 9.724 -8.226 -3.850 1.00 0.39 H new ATOM 0 HG2 LYS A 119 10.713 -10.005 -2.472 1.00 0.43 H new ATOM 0 HG3 LYS A 119 11.101 -10.929 -3.909 1.00 0.43 H new ATOM 0 HD2 LYS A 119 13.086 -9.736 -3.135 1.00 0.67 H new ATOM 0 HD3 LYS A 119 12.592 -9.111 -4.695 1.00 0.67 H new ATOM 0 HE2 LYS A 119 11.504 -7.181 -3.617 1.00 0.57 H new ATOM 0 HE3 LYS A 119 11.876 -7.824 -2.030 1.00 0.57 H new ATOM 0 HZ1 LYS A 119 13.454 -6.125 -2.699 1.00 0.95 H new ATOM 0 HZ2 LYS A 119 14.236 -7.621 -2.523 1.00 0.95 H new ATOM 0 HZ3 LYS A 119 13.887 -7.022 -4.073 1.00 0.95 H new ATOM 2050 N LEU A 120 7.675 -9.430 -2.050 1.00 0.36 N ATOM 2051 CA LEU A 120 7.142 -9.677 -0.740 1.00 0.37 C ATOM 2052 C LEU A 120 5.846 -10.472 -0.810 1.00 0.36 C ATOM 2053 O LEU A 120 5.715 -11.474 -0.118 1.00 0.38 O ATOM 2054 CB LEU A 120 6.890 -8.348 -0.020 1.00 0.39 C ATOM 2055 CG LEU A 120 8.109 -7.651 0.585 1.00 0.42 C ATOM 2056 CD1 LEU A 120 8.714 -8.519 1.652 1.00 1.06 C ATOM 2057 CD2 LEU A 120 9.161 -7.309 -0.452 1.00 0.99 C ATOM 0 H LEU A 120 7.629 -8.452 -2.337 1.00 0.36 H new ATOM 0 HA LEU A 120 7.874 -10.264 -0.185 1.00 0.37 H new ATOM 0 HB2 LEU A 120 6.422 -7.662 -0.726 1.00 0.39 H new ATOM 0 HB3 LEU A 120 6.169 -8.525 0.778 1.00 0.39 H new ATOM 0 HG LEU A 120 7.761 -6.712 1.015 1.00 0.42 H new ATOM 0 HD11 LEU A 120 9.582 -8.018 2.080 1.00 1.06 H new ATOM 0 HD12 LEU A 120 7.977 -8.700 2.435 1.00 1.06 H new ATOM 0 HD13 LEU A 120 9.022 -9.470 1.217 1.00 1.06 H new ATOM 0 HD21 LEU A 120 10.003 -6.816 0.033 1.00 0.99 H new ATOM 0 HD22 LEU A 120 9.505 -8.223 -0.936 1.00 0.99 H new ATOM 0 HD23 LEU A 120 8.732 -6.642 -1.199 1.00 0.99 H new ATOM 2069 N TYR A 121 4.888 -10.056 -1.640 1.00 0.35 N ATOM 2070 CA TYR A 121 3.567 -10.659 -1.548 1.00 0.36 C ATOM 2071 C TYR A 121 3.554 -12.080 -2.115 1.00 0.38 C ATOM 2072 O TYR A 121 2.776 -12.927 -1.674 1.00 0.41 O ATOM 2073 CB TYR A 121 2.485 -9.770 -2.172 1.00 0.37 C ATOM 2074 CG TYR A 121 1.163 -10.470 -2.390 1.00 0.56 C ATOM 2075 CD1 TYR A 121 0.335 -10.770 -1.318 1.00 0.84 C ATOM 2076 CD2 TYR A 121 0.758 -10.847 -3.666 1.00 0.74 C ATOM 2077 CE1 TYR A 121 -0.863 -11.425 -1.506 1.00 1.13 C ATOM 2078 CE2 TYR A 121 -0.444 -11.507 -3.860 1.00 1.05 C ATOM 2079 CZ TYR A 121 -1.249 -11.792 -2.774 1.00 1.23 C ATOM 2080 OH TYR A 121 -2.442 -12.452 -2.953 1.00 1.54 O ATOM 0 H TYR A 121 4.997 -9.335 -2.353 1.00 0.35 H new ATOM 0 HA TYR A 121 3.323 -10.742 -0.489 1.00 0.36 H new ATOM 0 HB2 TYR A 121 2.324 -8.905 -1.528 1.00 0.37 H new ATOM 0 HB3 TYR A 121 2.847 -9.393 -3.129 1.00 0.37 H new ATOM 0 HD1 TYR A 121 0.634 -10.486 -0.320 1.00 0.84 H new ATOM 0 HD2 TYR A 121 1.387 -10.623 -4.514 1.00 0.74 H new ATOM 0 HE1 TYR A 121 -1.496 -11.649 -0.661 1.00 1.13 H new ATOM 0 HE2 TYR A 121 -0.750 -11.797 -4.854 1.00 1.05 H new ATOM 0 HH TYR A 121 -3.076 -12.177 -2.258 1.00 1.54 H new ATOM 2090 N LYS A 122 4.420 -12.342 -3.081 1.00 0.40 N ATOM 2091 CA LYS A 122 4.580 -13.690 -3.601 1.00 0.45 C ATOM 2092 C LYS A 122 5.257 -14.564 -2.554 1.00 0.43 C ATOM 2093 O LYS A 122 4.905 -15.729 -2.374 1.00 0.46 O ATOM 2094 CB LYS A 122 5.410 -13.683 -4.888 1.00 0.52 C ATOM 2095 CG LYS A 122 4.748 -12.950 -6.047 1.00 0.60 C ATOM 2096 CD LYS A 122 3.528 -13.690 -6.566 1.00 1.21 C ATOM 2097 CE LYS A 122 2.885 -12.941 -7.723 1.00 1.27 C ATOM 2098 NZ LYS A 122 1.816 -13.735 -8.389 1.00 1.98 N ATOM 0 H LYS A 122 5.020 -11.643 -3.519 1.00 0.40 H new ATOM 0 HA LYS A 122 3.594 -14.093 -3.832 1.00 0.45 H new ATOM 0 HB2 LYS A 122 6.376 -13.221 -4.683 1.00 0.52 H new ATOM 0 HB3 LYS A 122 5.607 -14.713 -5.187 1.00 0.52 H new ATOM 0 HG2 LYS A 122 4.456 -11.951 -5.724 1.00 0.60 H new ATOM 0 HG3 LYS A 122 5.468 -12.826 -6.856 1.00 0.60 H new ATOM 0 HD2 LYS A 122 3.816 -14.690 -6.891 1.00 1.21 H new ATOM 0 HD3 LYS A 122 2.804 -13.813 -5.761 1.00 1.21 H new ATOM 0 HE2 LYS A 122 2.464 -12.005 -7.357 1.00 1.27 H new ATOM 0 HE3 LYS A 122 3.650 -12.682 -8.454 1.00 1.27 H new ATOM 0 HZ1 LYS A 122 1.409 -13.182 -9.170 1.00 1.98 H new ATOM 0 HZ2 LYS A 122 2.221 -14.617 -8.763 1.00 1.98 H new ATOM 0 HZ3 LYS A 122 1.071 -13.961 -7.700 1.00 1.98 H new ATOM 2112 N ALA A 123 6.227 -13.982 -1.852 1.00 0.42 N ATOM 2113 CA ALA A 123 6.962 -14.704 -0.829 1.00 0.43 C ATOM 2114 C ALA A 123 6.317 -14.521 0.537 1.00 0.43 C ATOM 2115 O ALA A 123 6.882 -13.898 1.438 1.00 0.70 O ATOM 2116 CB ALA A 123 8.417 -14.272 -0.801 1.00 0.49 C ATOM 0 H ALA A 123 6.518 -13.012 -1.977 1.00 0.42 H new ATOM 0 HA ALA A 123 6.929 -15.765 -1.078 1.00 0.43 H new ATOM 0 HB1 ALA A 123 8.946 -14.827 -0.027 1.00 0.49 H new ATOM 0 HB2 ALA A 123 8.875 -14.473 -1.769 1.00 0.49 H new ATOM 0 HB3 ALA A 123 8.476 -13.205 -0.587 1.00 0.49 H new ATOM 2122 N MET A 124 5.142 -15.104 0.681 1.00 0.44 N ATOM 2123 CA MET A 124 4.422 -15.106 1.949 1.00 0.42 C ATOM 2124 C MET A 124 3.623 -16.391 2.071 1.00 0.42 C ATOM 2125 O MET A 124 3.242 -16.984 1.058 1.00 0.42 O ATOM 2126 CB MET A 124 3.474 -13.911 2.088 1.00 0.41 C ATOM 2127 CG MET A 124 4.174 -12.579 2.266 1.00 0.45 C ATOM 2128 SD MET A 124 3.109 -11.333 3.021 1.00 0.50 S ATOM 2129 CE MET A 124 1.705 -11.361 1.912 1.00 0.46 C ATOM 0 H MET A 124 4.657 -15.590 -0.073 1.00 0.44 H new ATOM 0 HA MET A 124 5.164 -15.032 2.744 1.00 0.42 H new ATOM 0 HB2 MET A 124 2.840 -13.860 1.203 1.00 0.41 H new ATOM 0 HB3 MET A 124 2.817 -14.080 2.941 1.00 0.41 H new ATOM 0 HG2 MET A 124 5.060 -12.718 2.885 1.00 0.45 H new ATOM 0 HG3 MET A 124 4.516 -12.220 1.296 1.00 0.45 H new ATOM 0 HE1 MET A 124 1.362 -10.342 1.733 1.00 0.46 H new ATOM 0 HE2 MET A 124 1.998 -11.817 0.966 1.00 0.46 H new ATOM 0 HE3 MET A 124 0.899 -11.941 2.360 1.00 0.46 H new ATOM 2139 N SER A 125 3.380 -16.831 3.294 1.00 0.47 N ATOM 2140 CA SER A 125 2.536 -17.990 3.523 1.00 0.54 C ATOM 2141 C SER A 125 1.095 -17.685 3.116 1.00 0.58 C ATOM 2142 O SER A 125 0.613 -16.573 3.346 1.00 0.92 O ATOM 2143 CB SER A 125 2.608 -18.403 4.989 1.00 0.62 C ATOM 2144 OG SER A 125 3.956 -18.581 5.392 1.00 1.18 O ATOM 0 H SER A 125 3.754 -16.404 4.141 1.00 0.47 H new ATOM 0 HA SER A 125 2.894 -18.818 2.911 1.00 0.54 H new ATOM 0 HB2 SER A 125 2.134 -17.643 5.610 1.00 0.62 H new ATOM 0 HB3 SER A 125 2.053 -19.329 5.139 1.00 0.62 H new ATOM 0 HG SER A 125 3.983 -18.844 6.336 1.00 1.18 H new ATOM 2150 N ASP A 126 0.427 -18.654 2.499 1.00 0.44 N ATOM 2151 CA ASP A 126 -0.859 -18.422 1.830 1.00 0.43 C ATOM 2152 C ASP A 126 -1.867 -17.715 2.735 1.00 0.39 C ATOM 2153 O ASP A 126 -2.557 -16.789 2.293 1.00 0.38 O ATOM 2154 CB ASP A 126 -1.447 -19.745 1.326 1.00 0.47 C ATOM 2155 CG ASP A 126 -0.516 -20.474 0.377 1.00 1.37 C ATOM 2156 OD1 ASP A 126 0.420 -21.152 0.861 1.00 2.21 O ATOM 2157 OD2 ASP A 126 -0.711 -20.379 -0.852 1.00 1.81 O ATOM 0 H ASP A 126 0.755 -19.618 2.446 1.00 0.44 H new ATOM 0 HA ASP A 126 -0.662 -17.765 0.983 1.00 0.43 H new ATOM 0 HB2 ASP A 126 -1.667 -20.388 2.178 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -2.393 -19.549 0.821 1.00 0.47 H new ATOM 2162 N ALA A 127 -1.927 -18.129 3.997 1.00 0.38 N ATOM 2163 CA ALA A 127 -2.853 -17.549 4.965 1.00 0.37 C ATOM 2164 C ALA A 127 -2.625 -16.050 5.146 1.00 0.33 C ATOM 2165 O ALA A 127 -3.551 -15.308 5.463 1.00 0.34 O ATOM 2166 CB ALA A 127 -2.726 -18.260 6.299 1.00 0.42 C ATOM 0 H ALA A 127 -1.339 -18.871 4.376 1.00 0.38 H new ATOM 0 HA ALA A 127 -3.862 -17.684 4.576 1.00 0.37 H new ATOM 0 HB1 ALA A 127 -3.421 -17.819 7.014 1.00 0.42 H new ATOM 0 HB2 ALA A 127 -2.958 -19.317 6.171 1.00 0.42 H new ATOM 0 HB3 ALA A 127 -1.707 -18.155 6.672 1.00 0.42 H new ATOM 2172 N GLY A 128 -1.392 -15.615 4.935 1.00 0.31 N ATOM 2173 CA GLY A 128 -1.069 -14.209 5.056 1.00 0.31 C ATOM 2174 C GLY A 128 -1.416 -13.449 3.795 1.00 0.29 C ATOM 2175 O GLY A 128 -1.757 -12.270 3.839 1.00 0.30 O ATOM 0 H GLY A 128 -0.606 -16.214 4.681 1.00 0.31 H new ATOM 0 HA2 GLY A 128 -1.610 -13.782 5.900 1.00 0.31 H new ATOM 0 HA3 GLY A 128 -0.006 -14.096 5.269 1.00 0.31 H new ATOM 2179 N LYS A 129 -1.348 -14.143 2.666 1.00 0.32 N ATOM 2180 CA LYS A 129 -1.660 -13.544 1.376 1.00 0.39 C ATOM 2181 C LYS A 129 -3.157 -13.285 1.262 1.00 0.35 C ATOM 2182 O LYS A 129 -3.585 -12.197 0.878 1.00 0.36 O ATOM 2183 CB LYS A 129 -1.205 -14.460 0.240 1.00 0.56 C ATOM 2184 CG LYS A 129 0.281 -14.778 0.268 1.00 0.58 C ATOM 2185 CD LYS A 129 0.646 -15.813 -0.783 1.00 0.59 C ATOM 2186 CE LYS A 129 0.536 -15.259 -2.194 1.00 0.94 C ATOM 2187 NZ LYS A 129 0.742 -16.320 -3.216 1.00 1.32 N ATOM 0 H LYS A 129 -1.078 -15.126 2.619 1.00 0.32 H new ATOM 0 HA LYS A 129 -1.129 -12.595 1.299 1.00 0.39 H new ATOM 0 HB2 LYS A 129 -1.768 -15.392 0.290 1.00 0.56 H new ATOM 0 HB3 LYS A 129 -1.449 -13.991 -0.713 1.00 0.56 H new ATOM 0 HG2 LYS A 129 0.853 -13.866 0.097 1.00 0.58 H new ATOM 0 HG3 LYS A 129 0.557 -15.147 1.256 1.00 0.58 H new ATOM 0 HD2 LYS A 129 1.664 -16.162 -0.609 1.00 0.59 H new ATOM 0 HD3 LYS A 129 -0.009 -16.678 -0.682 1.00 0.59 H new ATOM 0 HE2 LYS A 129 -0.446 -14.806 -2.332 1.00 0.94 H new ATOM 0 HE3 LYS A 129 1.274 -14.470 -2.334 1.00 0.94 H new ATOM 0 HZ1 LYS A 129 0.660 -15.907 -4.167 1.00 1.32 H new ATOM 0 HZ2 LYS A 129 1.688 -16.735 -3.099 1.00 1.32 H new ATOM 0 HZ3 LYS A 129 0.022 -17.061 -3.097 1.00 1.32 H new ATOM 2201 N ALA A 130 -3.947 -14.295 1.608 1.00 0.35 N ATOM 2202 CA ALA A 130 -5.398 -14.189 1.553 1.00 0.37 C ATOM 2203 C ALA A 130 -5.921 -13.227 2.614 1.00 0.33 C ATOM 2204 O ALA A 130 -6.976 -12.617 2.448 1.00 0.38 O ATOM 2205 CB ALA A 130 -6.032 -15.562 1.724 1.00 0.42 C ATOM 0 H ALA A 130 -3.604 -15.200 1.931 1.00 0.35 H new ATOM 0 HA ALA A 130 -5.672 -13.792 0.576 1.00 0.37 H new ATOM 0 HB1 ALA A 130 -7.117 -15.470 1.681 1.00 0.42 H new ATOM 0 HB2 ALA A 130 -5.692 -16.222 0.926 1.00 0.42 H new ATOM 0 HB3 ALA A 130 -5.741 -15.979 2.688 1.00 0.42 H new ATOM 2211 N ASP A 131 -5.171 -13.086 3.700 1.00 0.29 N ATOM 2212 CA ASP A 131 -5.582 -12.217 4.798 1.00 0.29 C ATOM 2213 C ASP A 131 -5.377 -10.758 4.420 1.00 0.27 C ATOM 2214 O ASP A 131 -6.135 -9.882 4.839 1.00 0.30 O ATOM 2215 CB ASP A 131 -4.804 -12.565 6.065 1.00 0.30 C ATOM 2216 CG ASP A 131 -5.331 -11.866 7.297 1.00 0.40 C ATOM 2217 OD1 ASP A 131 -6.542 -11.985 7.584 1.00 0.55 O ATOM 2218 OD2 ASP A 131 -4.549 -11.146 7.950 1.00 0.45 O ATOM 0 H ASP A 131 -4.279 -13.559 3.845 1.00 0.29 H new ATOM 0 HA ASP A 131 -6.643 -12.373 4.994 1.00 0.29 H new ATOM 0 HB2 ASP A 131 -4.842 -13.643 6.222 1.00 0.30 H new ATOM 0 HB3 ASP A 131 -3.756 -12.300 5.925 1.00 0.30 H new ATOM 2223 N PHE A 132 -4.370 -10.513 3.594 1.00 0.24 N ATOM 2224 CA PHE A 132 -4.102 -9.178 3.076 1.00 0.22 C ATOM 2225 C PHE A 132 -5.290 -8.677 2.256 1.00 0.23 C ATOM 2226 O PHE A 132 -5.544 -7.476 2.184 1.00 0.25 O ATOM 2227 CB PHE A 132 -2.828 -9.196 2.222 1.00 0.23 C ATOM 2228 CG PHE A 132 -2.453 -7.860 1.646 1.00 0.24 C ATOM 2229 CD1 PHE A 132 -1.857 -6.893 2.440 1.00 0.33 C ATOM 2230 CD2 PHE A 132 -2.696 -7.571 0.314 1.00 0.26 C ATOM 2231 CE1 PHE A 132 -1.510 -5.664 1.915 1.00 0.39 C ATOM 2232 CE2 PHE A 132 -2.352 -6.343 -0.218 1.00 0.30 C ATOM 2233 CZ PHE A 132 -1.761 -5.388 0.580 1.00 0.36 C ATOM 0 H PHE A 132 -3.720 -11.227 3.266 1.00 0.24 H new ATOM 0 HA PHE A 132 -3.953 -8.497 3.914 1.00 0.22 H new ATOM 0 HB2 PHE A 132 -2.001 -9.561 2.831 1.00 0.23 H new ATOM 0 HB3 PHE A 132 -2.961 -9.906 1.406 1.00 0.23 H new ATOM 0 HD1 PHE A 132 -1.662 -7.103 3.481 1.00 0.33 H new ATOM 0 HD2 PHE A 132 -3.160 -8.315 -0.317 1.00 0.26 H new ATOM 0 HE1 PHE A 132 -1.044 -4.919 2.543 1.00 0.39 H new ATOM 0 HE2 PHE A 132 -2.546 -6.132 -1.259 1.00 0.30 H new ATOM 0 HZ PHE A 132 -1.494 -4.427 0.166 1.00 0.36 H new ATOM 2243 N GLY A 133 -6.034 -9.611 1.676 1.00 0.22 N ATOM 2244 CA GLY A 133 -7.165 -9.255 0.840 1.00 0.24 C ATOM 2245 C GLY A 133 -8.352 -8.732 1.627 1.00 0.23 C ATOM 2246 O GLY A 133 -9.282 -8.172 1.049 1.00 0.27 O ATOM 0 H GLY A 133 -5.873 -10.614 1.770 1.00 0.22 H new ATOM 0 HA2 GLY A 133 -6.852 -8.498 0.121 1.00 0.24 H new ATOM 0 HA3 GLY A 133 -7.474 -10.129 0.268 1.00 0.24 H new ATOM 2250 N LYS A 134 -8.335 -8.912 2.940 1.00 0.27 N ATOM 2251 CA LYS A 134 -9.438 -8.442 3.776 1.00 0.29 C ATOM 2252 C LYS A 134 -9.187 -6.999 4.185 1.00 0.30 C ATOM 2253 O LYS A 134 -10.096 -6.166 4.216 1.00 0.39 O ATOM 2254 CB LYS A 134 -9.576 -9.312 5.028 1.00 0.34 C ATOM 2255 CG LYS A 134 -9.457 -10.800 4.757 1.00 0.63 C ATOM 2256 CD LYS A 134 -10.457 -11.263 3.715 1.00 1.29 C ATOM 2257 CE LYS A 134 -10.162 -12.680 3.273 1.00 1.61 C ATOM 2258 NZ LYS A 134 -10.461 -13.674 4.339 1.00 2.43 N ATOM 0 H LYS A 134 -7.581 -9.374 3.448 1.00 0.27 H new ATOM 0 HA LYS A 134 -10.362 -8.508 3.202 1.00 0.29 H new ATOM 0 HB2 LYS A 134 -8.810 -9.021 5.747 1.00 0.34 H new ATOM 0 HB3 LYS A 134 -10.542 -9.113 5.492 1.00 0.34 H new ATOM 0 HG2 LYS A 134 -8.446 -11.028 4.418 1.00 0.63 H new ATOM 0 HG3 LYS A 134 -9.615 -11.352 5.683 1.00 0.63 H new ATOM 0 HD2 LYS A 134 -11.466 -11.208 4.124 1.00 1.29 H new ATOM 0 HD3 LYS A 134 -10.426 -10.596 2.854 1.00 1.29 H new ATOM 0 HE2 LYS A 134 -10.751 -12.912 2.386 1.00 1.61 H new ATOM 0 HE3 LYS A 134 -9.113 -12.759 2.988 1.00 1.61 H new ATOM 0 HZ1 LYS A 134 -10.244 -14.630 3.993 1.00 2.43 H new ATOM 0 HZ2 LYS A 134 -9.880 -13.469 5.177 1.00 2.43 H new ATOM 0 HZ3 LYS A 134 -11.468 -13.618 4.593 1.00 2.43 H new ATOM 2272 N GLN A 135 -7.935 -6.724 4.491 1.00 0.30 N ATOM 2273 CA GLN A 135 -7.520 -5.409 4.964 1.00 0.31 C ATOM 2274 C GLN A 135 -7.184 -4.476 3.803 1.00 0.30 C ATOM 2275 O GLN A 135 -7.452 -3.278 3.869 1.00 0.36 O ATOM 2276 CB GLN A 135 -6.327 -5.540 5.909 1.00 0.33 C ATOM 2277 CG GLN A 135 -6.706 -5.899 7.341 1.00 0.51 C ATOM 2278 CD GLN A 135 -7.541 -7.160 7.469 1.00 0.71 C ATOM 2279 OE1 GLN A 135 -7.010 -8.263 7.577 1.00 1.83 O ATOM 2280 NE2 GLN A 135 -8.856 -6.999 7.494 1.00 0.75 N ATOM 0 H GLN A 135 -7.175 -7.400 4.421 1.00 0.30 H new ATOM 0 HA GLN A 135 -8.356 -4.969 5.508 1.00 0.31 H new ATOM 0 HB2 GLN A 135 -5.651 -6.302 5.521 1.00 0.33 H new ATOM 0 HB3 GLN A 135 -5.776 -4.599 5.915 1.00 0.33 H new ATOM 0 HG2 GLN A 135 -5.794 -6.020 7.926 1.00 0.51 H new ATOM 0 HG3 GLN A 135 -7.257 -5.066 7.778 1.00 0.51 H new ATOM 0 HE21 GLN A 135 -9.257 -6.066 7.401 1.00 0.75 H new ATOM 0 HE22 GLN A 135 -9.467 -7.808 7.606 1.00 0.75 H new ATOM 2289 N PHE A 136 -6.600 -5.024 2.749 1.00 0.26 N ATOM 2290 CA PHE A 136 -6.302 -4.252 1.548 1.00 0.26 C ATOM 2291 C PHE A 136 -6.839 -4.958 0.306 1.00 0.23 C ATOM 2292 O PHE A 136 -6.070 -5.477 -0.508 1.00 0.24 O ATOM 2293 CB PHE A 136 -4.796 -4.021 1.409 1.00 0.31 C ATOM 2294 CG PHE A 136 -4.279 -2.837 2.176 1.00 0.34 C ATOM 2295 CD1 PHE A 136 -4.293 -1.563 1.629 1.00 0.57 C ATOM 2296 CD2 PHE A 136 -3.786 -3.002 3.459 1.00 0.27 C ATOM 2297 CE1 PHE A 136 -3.823 -0.485 2.347 1.00 0.69 C ATOM 2298 CE2 PHE A 136 -3.317 -1.924 4.182 1.00 0.37 C ATOM 2299 CZ PHE A 136 -3.310 -0.637 3.564 1.00 0.58 C ATOM 0 H PHE A 136 -6.321 -6.004 2.699 1.00 0.26 H new ATOM 0 HA PHE A 136 -6.795 -3.284 1.641 1.00 0.26 H new ATOM 0 HB2 PHE A 136 -4.271 -4.915 1.745 1.00 0.31 H new ATOM 0 HB3 PHE A 136 -4.556 -3.889 0.354 1.00 0.31 H new ATOM 0 HD1 PHE A 136 -4.676 -1.414 0.630 1.00 0.57 H new ATOM 0 HD2 PHE A 136 -3.768 -3.988 3.900 1.00 0.27 H new ATOM 0 HE1 PHE A 136 -3.872 0.503 1.913 1.00 0.69 H new ATOM 0 HE2 PHE A 136 -2.963 -2.051 5.194 1.00 0.37 H new ATOM 0 HZ PHE A 136 -2.889 0.211 4.084 1.00 0.58 H new ATOM 2309 N PRO A 137 -8.173 -4.966 0.135 1.00 0.26 N ATOM 2310 CA PRO A 137 -8.831 -5.671 -0.972 1.00 0.30 C ATOM 2311 C PRO A 137 -8.407 -5.135 -2.332 1.00 0.29 C ATOM 2312 O PRO A 137 -8.180 -5.901 -3.268 1.00 0.30 O ATOM 2313 CB PRO A 137 -10.325 -5.406 -0.743 1.00 0.38 C ATOM 2314 CG PRO A 137 -10.433 -4.986 0.682 1.00 0.63 C ATOM 2315 CD PRO A 137 -9.147 -4.281 1.001 1.00 0.34 C ATOM 0 HA PRO A 137 -8.571 -6.729 -0.982 1.00 0.30 H new ATOM 0 HB2 PRO A 137 -10.694 -4.628 -1.412 1.00 0.38 H new ATOM 0 HB3 PRO A 137 -10.918 -6.300 -0.936 1.00 0.38 H new ATOM 0 HG2 PRO A 137 -11.288 -4.326 0.831 1.00 0.63 H new ATOM 0 HG3 PRO A 137 -10.578 -5.848 1.333 1.00 0.63 H new ATOM 0 HD2 PRO A 137 -9.205 -3.215 0.780 1.00 0.34 H new ATOM 0 HD3 PRO A 137 -8.886 -4.374 2.055 1.00 0.34 H new ATOM 2323 N PHE A 138 -8.283 -3.814 -2.427 1.00 0.32 N ATOM 2324 CA PHE A 138 -7.936 -3.162 -3.684 1.00 0.36 C ATOM 2325 C PHE A 138 -6.554 -3.595 -4.170 1.00 0.35 C ATOM 2326 O PHE A 138 -6.353 -3.839 -5.358 1.00 0.36 O ATOM 2327 CB PHE A 138 -7.979 -1.641 -3.528 1.00 0.43 C ATOM 2328 CG PHE A 138 -7.757 -0.904 -4.818 1.00 0.86 C ATOM 2329 CD1 PHE A 138 -8.823 -0.584 -5.645 1.00 1.21 C ATOM 2330 CD2 PHE A 138 -6.480 -0.527 -5.202 1.00 1.56 C ATOM 2331 CE1 PHE A 138 -8.619 0.096 -6.827 1.00 1.88 C ATOM 2332 CE2 PHE A 138 -6.272 0.153 -6.384 1.00 2.23 C ATOM 2333 CZ PHE A 138 -7.350 0.451 -7.206 1.00 2.31 C ATOM 0 H PHE A 138 -8.418 -3.173 -1.645 1.00 0.32 H new ATOM 0 HA PHE A 138 -8.672 -3.466 -4.428 1.00 0.36 H new ATOM 0 HB2 PHE A 138 -8.945 -1.352 -3.115 1.00 0.43 H new ATOM 0 HB3 PHE A 138 -7.220 -1.335 -2.808 1.00 0.43 H new ATOM 0 HD1 PHE A 138 -9.825 -0.871 -5.360 1.00 1.21 H new ATOM 0 HD2 PHE A 138 -5.639 -0.768 -4.569 1.00 1.56 H new ATOM 0 HE1 PHE A 138 -9.460 0.349 -7.455 1.00 1.88 H new ATOM 0 HE2 PHE A 138 -5.274 0.452 -6.669 1.00 2.23 H new ATOM 0 HZ PHE A 138 -7.189 0.962 -8.144 1.00 2.31 H new ATOM 2343 N LEU A 139 -5.604 -3.691 -3.254 1.00 0.35 N ATOM 2344 CA LEU A 139 -4.251 -4.067 -3.627 1.00 0.36 C ATOM 2345 C LEU A 139 -4.173 -5.564 -3.903 1.00 0.33 C ATOM 2346 O LEU A 139 -3.556 -5.984 -4.881 1.00 0.35 O ATOM 2347 CB LEU A 139 -3.245 -3.657 -2.549 1.00 0.40 C ATOM 2348 CG LEU A 139 -3.167 -2.154 -2.261 1.00 0.48 C ATOM 2349 CD1 LEU A 139 -2.123 -1.874 -1.190 1.00 1.02 C ATOM 2350 CD2 LEU A 139 -2.847 -1.375 -3.529 1.00 0.86 C ATOM 0 H LEU A 139 -5.742 -3.516 -2.259 1.00 0.35 H new ATOM 0 HA LEU A 139 -3.990 -3.533 -4.541 1.00 0.36 H new ATOM 0 HB2 LEU A 139 -3.498 -4.174 -1.624 1.00 0.40 H new ATOM 0 HB3 LEU A 139 -2.256 -4.004 -2.848 1.00 0.40 H new ATOM 0 HG LEU A 139 -4.140 -1.826 -1.896 1.00 0.48 H new ATOM 0 HD11 LEU A 139 -2.079 -0.802 -0.996 1.00 1.02 H new ATOM 0 HD12 LEU A 139 -2.393 -2.398 -0.273 1.00 1.02 H new ATOM 0 HD13 LEU A 139 -1.148 -2.221 -1.533 1.00 1.02 H new ATOM 0 HD21 LEU A 139 -2.797 -0.311 -3.299 1.00 0.86 H new ATOM 0 HD22 LEU A 139 -1.888 -1.706 -3.927 1.00 0.86 H new ATOM 0 HD23 LEU A 139 -3.627 -1.550 -4.270 1.00 0.86 H new ATOM 2362 N ALA A 140 -4.826 -6.365 -3.064 1.00 0.30 N ATOM 2363 CA ALA A 140 -4.875 -7.809 -3.278 1.00 0.28 C ATOM 2364 C ALA A 140 -5.489 -8.115 -4.639 1.00 0.28 C ATOM 2365 O ALA A 140 -5.087 -9.054 -5.323 1.00 0.35 O ATOM 2366 CB ALA A 140 -5.659 -8.488 -2.168 1.00 0.25 C ATOM 0 H ALA A 140 -5.325 -6.042 -2.235 1.00 0.30 H new ATOM 0 HA ALA A 140 -3.858 -8.201 -3.260 1.00 0.28 H new ATOM 0 HB1 ALA A 140 -5.684 -9.563 -2.345 1.00 0.25 H new ATOM 0 HB2 ALA A 140 -5.179 -8.290 -1.210 1.00 0.25 H new ATOM 0 HB3 ALA A 140 -6.677 -8.099 -2.151 1.00 0.25 H new ATOM 2372 N LYS A 141 -6.473 -7.305 -5.009 1.00 0.26 N ATOM 2373 CA LYS A 141 -7.062 -7.325 -6.341 1.00 0.27 C ATOM 2374 C LYS A 141 -5.990 -7.281 -7.427 1.00 0.29 C ATOM 2375 O LYS A 141 -5.733 -8.272 -8.113 1.00 0.30 O ATOM 2376 CB LYS A 141 -7.972 -6.102 -6.506 1.00 0.28 C ATOM 2377 CG LYS A 141 -8.550 -5.937 -7.904 1.00 0.36 C ATOM 2378 CD LYS A 141 -9.152 -4.554 -8.090 1.00 1.15 C ATOM 2379 CE LYS A 141 -9.626 -4.332 -9.517 1.00 1.76 C ATOM 2380 NZ LYS A 141 -10.116 -2.944 -9.729 1.00 2.58 N ATOM 0 H LYS A 141 -6.888 -6.610 -4.388 1.00 0.26 H new ATOM 0 HA LYS A 141 -7.627 -8.251 -6.446 1.00 0.27 H new ATOM 0 HB2 LYS A 141 -8.793 -6.175 -5.792 1.00 0.28 H new ATOM 0 HB3 LYS A 141 -7.407 -5.206 -6.251 1.00 0.28 H new ATOM 0 HG2 LYS A 141 -7.767 -6.099 -8.645 1.00 0.36 H new ATOM 0 HG3 LYS A 141 -9.314 -6.695 -8.076 1.00 0.36 H new ATOM 0 HD2 LYS A 141 -9.990 -4.427 -7.405 1.00 1.15 H new ATOM 0 HD3 LYS A 141 -8.411 -3.797 -7.831 1.00 1.15 H new ATOM 0 HE2 LYS A 141 -8.808 -4.538 -10.207 1.00 1.76 H new ATOM 0 HE3 LYS A 141 -10.424 -5.038 -9.749 1.00 1.76 H new ATOM 0 HZ1 LYS A 141 -10.430 -2.833 -10.714 1.00 2.58 H new ATOM 0 HZ2 LYS A 141 -10.913 -2.756 -9.088 1.00 2.58 H new ATOM 0 HZ3 LYS A 141 -9.348 -2.271 -9.533 1.00 2.58 H new ATOM 2394 N VAL A 142 -5.365 -6.115 -7.565 1.00 0.31 N ATOM 2395 CA VAL A 142 -4.450 -5.853 -8.660 1.00 0.36 C ATOM 2396 C VAL A 142 -3.211 -6.746 -8.615 1.00 0.37 C ATOM 2397 O VAL A 142 -2.598 -7.007 -9.654 1.00 0.44 O ATOM 2398 CB VAL A 142 -4.031 -4.364 -8.696 1.00 0.40 C ATOM 2399 CG1 VAL A 142 -5.199 -3.467 -8.333 1.00 0.50 C ATOM 2400 CG2 VAL A 142 -2.851 -4.100 -7.791 1.00 0.48 C ATOM 0 H VAL A 142 -5.481 -5.332 -6.922 1.00 0.31 H new ATOM 0 HA VAL A 142 -4.992 -6.090 -9.575 1.00 0.36 H new ATOM 0 HB VAL A 142 -3.724 -4.132 -9.716 1.00 0.40 H new ATOM 0 HG11 VAL A 142 -4.881 -2.425 -8.365 1.00 0.50 H new ATOM 0 HG12 VAL A 142 -6.011 -3.621 -9.044 1.00 0.50 H new ATOM 0 HG13 VAL A 142 -5.546 -3.710 -7.329 1.00 0.50 H new ATOM 0 HG21 VAL A 142 -2.583 -3.045 -7.841 1.00 0.48 H new ATOM 0 HG22 VAL A 142 -3.114 -4.360 -6.766 1.00 0.48 H new ATOM 0 HG23 VAL A 142 -2.003 -4.705 -8.113 1.00 0.48 H new ATOM 2404 N PHE A 143 -2.835 -7.221 -7.429 1.00 0.33 N ATOM 2405 CA PHE A 143 -1.657 -8.077 -7.333 1.00 0.36 C ATOM 2406 C PHE A 143 -1.950 -9.444 -7.944 1.00 0.40 C ATOM 2407 O PHE A 143 -1.198 -9.930 -8.786 1.00 0.47 O ATOM 2408 CB PHE A 143 -1.162 -8.247 -5.888 1.00 0.36 C ATOM 2409 CG PHE A 143 -0.657 -6.989 -5.234 1.00 0.34 C ATOM 2410 CD1 PHE A 143 -0.012 -6.009 -5.968 1.00 0.47 C ATOM 2411 CD2 PHE A 143 -0.826 -6.794 -3.872 1.00 0.58 C ATOM 2412 CE1 PHE A 143 0.453 -4.860 -5.361 1.00 0.47 C ATOM 2413 CE2 PHE A 143 -0.363 -5.646 -3.259 1.00 0.62 C ATOM 2414 CZ PHE A 143 0.276 -4.677 -4.004 1.00 0.39 C ATOM 0 H PHE A 143 -3.312 -7.035 -6.547 1.00 0.33 H new ATOM 0 HA PHE A 143 -0.861 -7.583 -7.890 1.00 0.36 H new ATOM 0 HB2 PHE A 143 -1.977 -8.649 -5.286 1.00 0.36 H new ATOM 0 HB3 PHE A 143 -0.363 -8.989 -5.879 1.00 0.36 H new ATOM 0 HD1 PHE A 143 0.129 -6.145 -7.030 1.00 0.47 H new ATOM 0 HD2 PHE A 143 -1.326 -7.549 -3.283 1.00 0.58 H new ATOM 0 HE1 PHE A 143 0.955 -4.104 -5.947 1.00 0.47 H new ATOM 0 HE2 PHE A 143 -0.501 -5.507 -2.197 1.00 0.62 H new ATOM 0 HZ PHE A 143 0.637 -3.778 -3.527 1.00 0.39 H new ATOM 2424 N GLU A 144 -3.066 -10.045 -7.537 1.00 0.41 N ATOM 2425 CA GLU A 144 -3.422 -11.382 -7.999 1.00 0.45 C ATOM 2426 C GLU A 144 -3.906 -11.355 -9.439 1.00 0.45 C ATOM 2427 O GLU A 144 -3.666 -12.294 -10.201 1.00 0.54 O ATOM 2428 CB GLU A 144 -4.506 -12.000 -7.120 1.00 0.47 C ATOM 2429 CG GLU A 144 -4.116 -12.118 -5.663 1.00 0.60 C ATOM 2430 CD GLU A 144 -4.892 -13.203 -4.954 1.00 1.55 C ATOM 2431 OE1 GLU A 144 -4.463 -14.374 -5.008 1.00 1.55 O ATOM 2432 OE2 GLU A 144 -5.935 -12.896 -4.345 1.00 2.58 O ATOM 0 H GLU A 144 -3.736 -9.628 -6.891 1.00 0.41 H new ATOM 0 HA GLU A 144 -2.520 -11.991 -7.936 1.00 0.45 H new ATOM 0 HB2 GLU A 144 -5.411 -11.397 -7.197 1.00 0.47 H new ATOM 0 HB3 GLU A 144 -4.750 -12.991 -7.503 1.00 0.47 H new ATOM 0 HG2 GLU A 144 -3.049 -12.329 -5.590 1.00 0.60 H new ATOM 0 HG3 GLU A 144 -4.288 -11.164 -5.164 1.00 0.60 H new ATOM 2439 N SER A 145 -4.586 -10.277 -9.809 1.00 0.43 N ATOM 2440 CA SER A 145 -5.117 -10.128 -11.155 1.00 0.49 C ATOM 2441 C SER A 145 -3.982 -10.019 -12.168 1.00 0.57 C ATOM 2442 O SER A 145 -4.175 -10.241 -13.364 1.00 1.32 O ATOM 2443 CB SER A 145 -6.010 -8.887 -11.226 1.00 0.50 C ATOM 2444 OG SER A 145 -6.706 -8.814 -12.459 1.00 1.29 O ATOM 0 H SER A 145 -4.783 -9.490 -9.191 1.00 0.43 H new ATOM 0 HA SER A 145 -5.711 -11.009 -11.398 1.00 0.49 H new ATOM 0 HB2 SER A 145 -6.726 -8.906 -10.404 1.00 0.50 H new ATOM 0 HB3 SER A 145 -5.401 -7.992 -11.098 1.00 0.50 H new ATOM 0 HG SER A 145 -7.268 -8.011 -12.470 1.00 1.29 H new ATOM 2450 N GLY A 146 -2.799 -9.674 -11.678 1.00 0.79 N ATOM 2451 CA GLY A 146 -1.649 -9.563 -12.544 1.00 0.78 C ATOM 2452 C GLY A 146 -1.431 -8.150 -13.025 1.00 0.70 C ATOM 2453 O GLY A 146 -0.542 -7.894 -13.827 1.00 1.09 O ATOM 0 H GLY A 146 -2.618 -9.470 -10.695 1.00 0.79 H new ATOM 0 HA2 GLY A 146 -0.761 -9.905 -12.012 1.00 0.78 H new ATOM 0 HA3 GLY A 146 -1.779 -10.221 -13.403 1.00 0.78 H new ATOM 2457 N LYS A 147 -2.236 -7.226 -12.522 1.00 0.54 N ATOM 2458 CA LYS A 147 -2.126 -5.830 -12.914 1.00 0.48 C ATOM 2459 C LYS A 147 -0.787 -5.257 -12.461 1.00 0.40 C ATOM 2460 O LYS A 147 -0.048 -4.678 -13.256 1.00 0.45 O ATOM 2461 CB LYS A 147 -3.296 -5.023 -12.340 1.00 0.54 C ATOM 2462 CG LYS A 147 -3.215 -3.525 -12.612 1.00 0.83 C ATOM 2463 CD LYS A 147 -2.893 -3.240 -14.073 1.00 1.15 C ATOM 2464 CE LYS A 147 -2.787 -1.752 -14.356 1.00 1.55 C ATOM 2465 NZ LYS A 147 -4.113 -1.087 -14.333 1.00 1.98 N ATOM 0 H LYS A 147 -2.972 -7.418 -11.842 1.00 0.54 H new ATOM 0 HA LYS A 147 -2.171 -5.763 -14.001 1.00 0.48 H new ATOM 0 HB2 LYS A 147 -4.227 -5.407 -12.757 1.00 0.54 H new ATOM 0 HB3 LYS A 147 -3.340 -5.183 -11.263 1.00 0.54 H new ATOM 0 HG2 LYS A 147 -4.162 -3.055 -12.349 1.00 0.83 H new ATOM 0 HG3 LYS A 147 -2.450 -3.079 -11.976 1.00 0.83 H new ATOM 0 HD2 LYS A 147 -1.954 -3.727 -14.338 1.00 1.15 H new ATOM 0 HD3 LYS A 147 -3.667 -3.674 -14.706 1.00 1.15 H new ATOM 0 HE2 LYS A 147 -2.135 -1.288 -13.616 1.00 1.55 H new ATOM 0 HE3 LYS A 147 -2.322 -1.600 -15.330 1.00 1.55 H new ATOM 0 HZ1 LYS A 147 -3.985 -0.055 -14.361 1.00 1.98 H new ATOM 0 HZ2 LYS A 147 -4.667 -1.390 -15.159 1.00 1.98 H new ATOM 0 HZ3 LYS A 147 -4.618 -1.349 -13.462 1.00 1.98 H new ATOM 2479 N ALA A 148 -0.469 -5.441 -11.187 1.00 0.33 N ATOM 2480 CA ALA A 148 0.811 -4.989 -10.659 1.00 0.29 C ATOM 2481 C ALA A 148 1.943 -5.815 -11.247 1.00 0.31 C ATOM 2482 O ALA A 148 3.000 -5.288 -11.590 1.00 0.34 O ATOM 2483 CB ALA A 148 0.827 -5.079 -9.144 1.00 0.33 C ATOM 0 H ALA A 148 -1.075 -5.897 -10.504 1.00 0.33 H new ATOM 0 HA ALA A 148 0.952 -3.946 -10.943 1.00 0.29 H new ATOM 0 HB1 ALA A 148 1.792 -4.737 -8.769 1.00 0.33 H new ATOM 0 HB2 ALA A 148 0.035 -4.452 -8.734 1.00 0.33 H new ATOM 0 HB3 ALA A 148 0.665 -6.113 -8.839 1.00 0.33 H new ATOM 2489 N ALA A 149 1.704 -7.118 -11.366 1.00 0.35 N ATOM 2490 CA ALA A 149 2.683 -8.035 -11.935 1.00 0.41 C ATOM 2491 C ALA A 149 3.093 -7.614 -13.346 1.00 0.43 C ATOM 2492 O ALA A 149 4.275 -7.608 -13.682 1.00 0.51 O ATOM 2493 CB ALA A 149 2.131 -9.451 -11.942 1.00 0.48 C ATOM 0 H ALA A 149 0.834 -7.563 -11.073 1.00 0.35 H new ATOM 0 HA ALA A 149 3.575 -8.004 -11.310 1.00 0.41 H new ATOM 0 HB1 ALA A 149 2.871 -10.128 -12.369 1.00 0.48 H new ATOM 0 HB2 ALA A 149 1.905 -9.758 -10.921 1.00 0.48 H new ATOM 0 HB3 ALA A 149 1.221 -9.484 -12.541 1.00 0.48 H new ATOM 2499 N LYS A 150 2.111 -7.238 -14.155 1.00 0.41 N ATOM 2500 CA LYS A 150 2.356 -6.846 -15.541 1.00 0.46 C ATOM 2501 C LYS A 150 3.024 -5.481 -15.625 1.00 0.45 C ATOM 2502 O LYS A 150 3.722 -5.181 -16.595 1.00 0.59 O ATOM 2503 CB LYS A 150 1.050 -6.854 -16.344 1.00 0.53 C ATOM 2504 CG LYS A 150 0.832 -8.137 -17.132 1.00 1.16 C ATOM 2505 CD LYS A 150 1.000 -9.370 -16.261 1.00 1.45 C ATOM 2506 CE LYS A 150 1.073 -10.635 -17.096 1.00 1.96 C ATOM 2507 NZ LYS A 150 1.490 -11.807 -16.283 1.00 2.82 N ATOM 0 H LYS A 150 1.131 -7.195 -13.875 1.00 0.41 H new ATOM 0 HA LYS A 150 3.038 -7.578 -15.975 1.00 0.46 H new ATOM 0 HB2 LYS A 150 0.212 -6.709 -15.662 1.00 0.53 H new ATOM 0 HB3 LYS A 150 1.051 -6.009 -17.033 1.00 0.53 H new ATOM 0 HG2 LYS A 150 -0.168 -8.132 -17.565 1.00 1.16 H new ATOM 0 HG3 LYS A 150 1.538 -8.179 -17.961 1.00 1.16 H new ATOM 0 HD2 LYS A 150 1.907 -9.274 -15.664 1.00 1.45 H new ATOM 0 HD3 LYS A 150 0.165 -9.441 -15.564 1.00 1.45 H new ATOM 0 HE2 LYS A 150 0.099 -10.831 -17.545 1.00 1.96 H new ATOM 0 HE3 LYS A 150 1.778 -10.491 -17.915 1.00 1.96 H new ATOM 0 HZ1 LYS A 150 1.529 -12.653 -16.887 1.00 2.82 H new ATOM 0 HZ2 LYS A 150 2.430 -11.630 -15.875 1.00 2.82 H new ATOM 0 HZ3 LYS A 150 0.803 -11.960 -15.517 1.00 2.82 H new ATOM 2521 N PHE A 151 2.815 -4.663 -14.607 1.00 0.35 N ATOM 2522 CA PHE A 151 3.460 -3.363 -14.534 1.00 0.36 C ATOM 2523 C PHE A 151 4.935 -3.529 -14.171 1.00 0.40 C ATOM 2524 O PHE A 151 5.796 -2.792 -14.656 1.00 0.46 O ATOM 2525 CB PHE A 151 2.752 -2.476 -13.505 1.00 0.34 C ATOM 2526 CG PHE A 151 3.182 -1.039 -13.564 1.00 0.33 C ATOM 2527 CD1 PHE A 151 2.544 -0.144 -14.403 1.00 0.46 C ATOM 2528 CD2 PHE A 151 4.219 -0.581 -12.767 1.00 0.43 C ATOM 2529 CE1 PHE A 151 2.927 1.178 -14.449 1.00 0.49 C ATOM 2530 CE2 PHE A 151 4.610 0.743 -12.809 1.00 0.44 C ATOM 2531 CZ PHE A 151 3.992 1.615 -13.691 1.00 0.39 C ATOM 0 H PHE A 151 2.203 -4.876 -13.819 1.00 0.35 H new ATOM 0 HA PHE A 151 3.393 -2.881 -15.509 1.00 0.36 H new ATOM 0 HB2 PHE A 151 1.675 -2.533 -13.666 1.00 0.34 H new ATOM 0 HB3 PHE A 151 2.946 -2.865 -12.505 1.00 0.34 H new ATOM 0 HD1 PHE A 151 1.734 -0.486 -15.031 1.00 0.46 H new ATOM 0 HD2 PHE A 151 4.727 -1.267 -12.106 1.00 0.43 H new ATOM 0 HE1 PHE A 151 2.392 1.873 -15.080 1.00 0.49 H new ATOM 0 HE2 PHE A 151 5.395 1.097 -12.157 1.00 0.44 H new ATOM 0 HZ PHE A 151 4.343 2.632 -13.784 1.00 0.39 H new ATOM 2541 N ALA A 152 5.217 -4.514 -13.327 1.00 0.39 N ATOM 2542 CA ALA A 152 6.575 -4.778 -12.873 1.00 0.44 C ATOM 2543 C ALA A 152 7.367 -5.586 -13.886 1.00 0.52 C ATOM 2544 O ALA A 152 8.562 -5.361 -14.076 1.00 0.59 O ATOM 2545 CB ALA A 152 6.554 -5.531 -11.555 1.00 0.44 C ATOM 0 H ALA A 152 4.517 -5.147 -12.941 1.00 0.39 H new ATOM 0 HA ALA A 152 7.061 -3.810 -12.747 1.00 0.44 H new ATOM 0 HB1 ALA A 152 7.576 -5.721 -11.228 1.00 0.44 H new ATOM 0 HB2 ALA A 152 6.038 -4.934 -10.803 1.00 0.44 H new ATOM 0 HB3 ALA A 152 6.033 -6.479 -11.686 1.00 0.44 H new ATOM 2551 N GLY A 153 6.687 -6.518 -14.533 1.00 0.65 N ATOM 2552 CA GLY A 153 7.366 -7.502 -15.348 1.00 0.84 C ATOM 2553 C GLY A 153 7.557 -8.785 -14.571 1.00 1.06 C ATOM 2554 O GLY A 153 8.492 -9.549 -14.821 1.00 1.62 O ATOM 0 H GLY A 153 5.672 -6.611 -14.508 1.00 0.65 H new ATOM 0 HA2 GLY A 153 6.788 -7.698 -16.251 1.00 0.84 H new ATOM 0 HA3 GLY A 153 8.334 -7.115 -15.667 1.00 0.84 H new