USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 720 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN : amide:sc= -0.198 K(o=-0.38,f=-1.6!) USER MOD Set 1.2: A 98 TYR OH : rot 180:sc= -0.182 USER MOD Set 2.1: A 66 ASN : amide:sc= 1.88 K(o=1.9,f=-3.9!) USER MOD Set 2.2: A 67 CYS SG : rot -38:sc= -0.106 USER MOD Set 2.3: A 70 CYS SG : rot -14:sc= 1.72 USER MOD Set 2.4: A 71 SER OG : rot 84:sc= 1.21 USER MOD Set 2.5: A 84 HIS : no HE2:sc= -2.53 K(o=1.9,f=2.7) USER MOD Set 2.6: A 101 CYS SG : rot 88:sc= -0.237 USER MOD Set 3.1: A 64 SER OG : rot 160:sc= 1.25 USER MOD Set 3.2: A 68 SER OG : rot 82:sc= 0.854 USER MOD Set 3.3: A 78 ASN : amide:sc= 2.09 K(o=4.2,f=-2.6) USER MOD Set 4.1: A 27 LYS NZ :NH3+ 177:sc= 2.37 (180deg=1.15) USER MOD Set 4.2: A 58 TYR OH : rot -139:sc= 1.15 USER MOD Single : A 18 GLN : amide:sc= -1.33! K(o=-1.3!,f=-0.084) USER MOD Single : A 19 LYS NZ :NH3+ -136:sc= 1.09 (180deg=0.912) USER MOD Single : A 23 GLN : amide:sc= -0.159 X(o=-0.16,f=-0.41) USER MOD Single : A 24 MET CE :methyl -129:sc= -0.546 (180deg=-2.4!) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.06) USER MOD Single : A 29 MET CE :methyl 162:sc= -0.143 (180deg=-0.643) USER MOD Single : A 30 LYS NZ :NH3+ 172:sc= 1.14 (180deg=1.05) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 35 GLN : amide:sc= -1.55! K(o=-1.6!,f=-0.073) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.363 X(o=0.36,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.965 K(o=-0.96,f=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= -0.107 (180deg=-0.557) USER MOD Single : A 49 MET CE :methyl -157:sc= -0.548 (180deg=-1.47) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -61:sc= 0.649 USER MOD Single : A 55 ASN : amide:sc= -0.637 K(o=-0.64,f=-6.9!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 159:sc= 0.366 (180deg=-0.156!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0413 X(o=-0.041,f=-0.041) USER MOD Single : A 76 CYS SG : rot 180:sc= -2.73! USER MOD Single : A 77 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.7!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.088 K(o=-0.088,f=-1.4!) USER MOD Single : A 93 SER OG : rot 24:sc= 0.135 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -140:sc= 0.308 (180deg=-0.208!) USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -20.565 4.451 6.338 1.00 0.00 N ATOM 226 CA ASP A 16 -21.445 4.992 5.303 1.00 0.00 C ATOM 227 C ASP A 16 -20.775 6.154 4.588 1.00 0.00 C ATOM 228 O ASP A 16 -20.991 6.373 3.393 1.00 0.00 O ATOM 229 CB ASP A 16 -22.771 5.464 5.902 1.00 0.00 C ATOM 230 CG ASP A 16 -23.500 4.374 6.659 1.00 0.00 C ATOM 231 OD1 ASP A 16 -24.242 3.595 6.026 1.00 0.00 O ATOM 232 OD2 ASP A 16 -23.342 4.295 7.897 1.00 0.00 O ATOM 0 HA ASP A 16 -21.645 4.193 4.589 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -22.582 6.301 6.574 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.413 5.835 5.103 1.00 0.00 H new ATOM 237 N PHE A 17 -19.958 6.889 5.336 1.00 0.00 N ATOM 238 CA PHE A 17 -19.247 8.047 4.812 1.00 0.00 C ATOM 239 C PHE A 17 -18.479 7.704 3.541 1.00 0.00 C ATOM 240 O PHE A 17 -18.577 8.416 2.540 1.00 0.00 O ATOM 241 CB PHE A 17 -18.286 8.596 5.872 1.00 0.00 C ATOM 242 CG PHE A 17 -17.499 9.798 5.425 1.00 0.00 C ATOM 243 CD1 PHE A 17 -18.064 11.063 5.454 1.00 0.00 C ATOM 244 CD2 PHE A 17 -16.193 9.662 4.981 1.00 0.00 C ATOM 245 CE1 PHE A 17 -17.342 12.169 5.047 1.00 0.00 C ATOM 246 CE2 PHE A 17 -15.466 10.767 4.575 1.00 0.00 C ATOM 247 CZ PHE A 17 -16.042 12.020 4.607 1.00 0.00 C ATOM 0 H PHE A 17 -19.771 6.698 6.320 1.00 0.00 H new ATOM 0 HA PHE A 17 -19.986 8.808 4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -18.857 8.860 6.763 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -17.591 7.807 6.160 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -19.080 11.186 5.799 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.738 8.683 4.952 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -17.795 13.149 5.073 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.448 10.649 4.233 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.477 12.883 4.288 1.00 0.00 H new ATOM 257 N GLN A 18 -17.735 6.601 3.567 1.00 0.00 N ATOM 258 CA GLN A 18 -16.898 6.243 2.434 1.00 0.00 C ATOM 259 C GLN A 18 -17.741 5.837 1.233 1.00 0.00 C ATOM 260 O GLN A 18 -17.347 6.063 0.101 1.00 0.00 O ATOM 261 CB GLN A 18 -15.919 5.116 2.779 1.00 0.00 C ATOM 262 CG GLN A 18 -16.555 3.732 2.853 1.00 0.00 C ATOM 263 CD GLN A 18 -15.543 2.597 2.823 1.00 0.00 C ATOM 264 OE1 GLN A 18 -15.758 1.546 3.426 1.00 0.00 O ATOM 265 NE2 GLN A 18 -14.457 2.772 2.083 1.00 0.00 N ATOM 0 H GLN A 18 -17.697 5.950 4.351 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.321 7.132 2.180 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -15.125 5.099 2.032 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.450 5.339 3.737 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -17.143 3.660 3.768 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -17.247 3.614 2.019 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.309 3.656 1.596 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.770 2.023 2.001 1.00 0.00 H new ATOM 274 N LYS A 19 -18.912 5.265 1.479 1.00 0.00 N ATOM 275 CA LYS A 19 -19.734 4.754 0.393 1.00 0.00 C ATOM 276 C LYS A 19 -20.360 5.872 -0.420 1.00 0.00 C ATOM 277 O LYS A 19 -20.452 5.772 -1.641 1.00 0.00 O ATOM 278 CB LYS A 19 -20.803 3.792 0.911 1.00 0.00 C ATOM 279 CG LYS A 19 -20.278 2.385 1.084 1.00 0.00 C ATOM 280 CD LYS A 19 -19.893 1.786 -0.259 1.00 0.00 C ATOM 281 CE LYS A 19 -19.123 0.496 -0.093 1.00 0.00 C ATOM 282 NZ LYS A 19 -17.772 0.724 0.485 1.00 0.00 N ATOM 0 H LYS A 19 -19.310 5.144 2.410 1.00 0.00 H new ATOM 0 HA LYS A 19 -19.072 4.199 -0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.182 4.155 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.644 3.780 0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.412 2.394 1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -21.037 1.764 1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.792 1.601 -0.846 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.289 2.501 -0.817 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -19.684 -0.180 0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.025 0.005 -1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.072 0.157 -0.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.527 1.732 0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.771 0.443 1.486 1.00 0.00 H new ATOM 296 N ARG A 20 -20.782 6.945 0.236 1.00 0.00 N ATOM 297 CA ARG A 20 -21.311 8.083 -0.501 1.00 0.00 C ATOM 298 C ARG A 20 -20.159 8.854 -1.141 1.00 0.00 C ATOM 299 O ARG A 20 -20.338 9.543 -2.144 1.00 0.00 O ATOM 300 CB ARG A 20 -22.164 8.999 0.386 1.00 0.00 C ATOM 301 CG ARG A 20 -21.380 9.876 1.349 1.00 0.00 C ATOM 302 CD ARG A 20 -22.277 10.947 1.947 1.00 0.00 C ATOM 303 NE ARG A 20 -21.562 11.843 2.854 1.00 0.00 N ATOM 304 CZ ARG A 20 -21.405 13.147 2.637 1.00 0.00 C ATOM 305 NH1 ARG A 20 -21.883 13.700 1.531 1.00 0.00 N ATOM 306 NH2 ARG A 20 -20.771 13.896 3.531 1.00 0.00 N ATOM 0 H ARG A 20 -20.770 7.051 1.250 1.00 0.00 H new ATOM 0 HA ARG A 20 -21.971 7.707 -1.283 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -22.768 9.640 -0.256 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -22.855 8.382 0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.956 9.263 2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.545 10.343 0.827 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -22.723 11.532 1.142 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -23.096 10.470 2.486 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.160 11.446 3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -22.372 13.126 0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -21.762 14.699 1.367 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -20.405 13.472 4.383 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -20.650 14.895 3.365 1.00 0.00 H new ATOM 320 N LEU A 21 -18.970 8.706 -0.560 1.00 0.00 N ATOM 321 CA LEU A 21 -17.759 9.286 -1.121 1.00 0.00 C ATOM 322 C LEU A 21 -17.367 8.548 -2.404 1.00 0.00 C ATOM 323 O LEU A 21 -17.105 9.171 -3.435 1.00 0.00 O ATOM 324 CB LEU A 21 -16.625 9.220 -0.091 1.00 0.00 C ATOM 325 CG LEU A 21 -15.226 9.497 -0.640 1.00 0.00 C ATOM 326 CD1 LEU A 21 -15.133 10.908 -1.207 1.00 0.00 C ATOM 327 CD2 LEU A 21 -14.179 9.286 0.442 1.00 0.00 C ATOM 0 H LEU A 21 -18.823 8.185 0.305 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.944 10.331 -1.369 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.835 9.938 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.629 8.230 0.366 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.034 8.794 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.128 11.080 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.855 11.024 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.350 11.631 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.188 9.487 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -14.374 9.963 1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -14.223 8.256 0.795 1.00 0.00 H new ATOM 339 N GLU A 22 -17.348 7.221 -2.332 1.00 0.00 N ATOM 340 CA GLU A 22 -17.103 6.378 -3.497 1.00 0.00 C ATOM 341 C GLU A 22 -18.154 6.652 -4.565 1.00 0.00 C ATOM 342 O GLU A 22 -17.836 6.781 -5.747 1.00 0.00 O ATOM 343 CB GLU A 22 -17.147 4.892 -3.110 1.00 0.00 C ATOM 344 CG GLU A 22 -16.042 4.463 -2.157 1.00 0.00 C ATOM 345 CD GLU A 22 -16.241 3.053 -1.621 1.00 0.00 C ATOM 346 OE1 GLU A 22 -15.920 2.084 -2.339 1.00 0.00 O ATOM 347 OE2 GLU A 22 -16.720 2.909 -0.474 1.00 0.00 O ATOM 0 H GLU A 22 -17.501 6.701 -1.468 1.00 0.00 H new ATOM 0 HA GLU A 22 -16.113 6.612 -3.887 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.112 4.676 -2.651 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.084 4.290 -4.016 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.083 4.519 -2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.997 5.162 -1.321 1.00 0.00 H new ATOM 354 N GLN A 23 -19.403 6.765 -4.122 1.00 0.00 N ATOM 355 CA GLN A 23 -20.531 6.992 -5.011 1.00 0.00 C ATOM 356 C GLN A 23 -20.342 8.276 -5.819 1.00 0.00 C ATOM 357 O GLN A 23 -20.411 8.262 -7.048 1.00 0.00 O ATOM 358 CB GLN A 23 -21.824 7.082 -4.198 1.00 0.00 C ATOM 359 CG GLN A 23 -23.067 6.678 -4.971 1.00 0.00 C ATOM 360 CD GLN A 23 -23.078 5.201 -5.314 1.00 0.00 C ATOM 361 OE1 GLN A 23 -22.608 4.791 -6.374 1.00 0.00 O ATOM 362 NE2 GLN A 23 -23.607 4.389 -4.408 1.00 0.00 N ATOM 0 H GLN A 23 -19.658 6.701 -3.137 1.00 0.00 H new ATOM 0 HA GLN A 23 -20.592 6.153 -5.705 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -21.733 6.446 -3.318 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.947 8.105 -3.841 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -23.952 6.918 -4.382 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -23.127 7.262 -5.889 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -23.986 4.770 -3.541 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -23.634 3.384 -4.578 1.00 0.00 H new ATOM 371 N MET A 24 -20.093 9.381 -5.123 1.00 0.00 N ATOM 372 CA MET A 24 -19.945 10.670 -5.784 1.00 0.00 C ATOM 373 C MET A 24 -18.668 10.721 -6.620 1.00 0.00 C ATOM 374 O MET A 24 -18.689 11.206 -7.747 1.00 0.00 O ATOM 375 CB MET A 24 -19.975 11.827 -4.771 1.00 0.00 C ATOM 376 CG MET A 24 -18.868 11.789 -3.733 1.00 0.00 C ATOM 377 SD MET A 24 -18.985 13.136 -2.537 1.00 0.00 S ATOM 378 CE MET A 24 -18.800 14.560 -3.606 1.00 0.00 C ATOM 0 H MET A 24 -19.990 9.409 -4.109 1.00 0.00 H new ATOM 0 HA MET A 24 -20.795 10.788 -6.456 1.00 0.00 H new ATOM 0 HB2 MET A 24 -19.913 12.770 -5.315 1.00 0.00 H new ATOM 0 HB3 MET A 24 -20.937 11.818 -4.258 1.00 0.00 H new ATOM 0 HG2 MET A 24 -18.904 10.836 -3.205 1.00 0.00 H new ATOM 0 HG3 MET A 24 -17.902 11.839 -4.236 1.00 0.00 H new ATOM 0 HE1 MET A 24 -18.027 15.217 -3.207 1.00 0.00 H new ATOM 0 HE2 MET A 24 -18.516 14.230 -4.605 1.00 0.00 H new ATOM 0 HE3 MET A 24 -19.745 15.101 -3.658 1.00 0.00 H new ATOM 388 N LYS A 25 -17.572 10.197 -6.079 1.00 0.00 N ATOM 389 CA LYS A 25 -16.287 10.212 -6.777 1.00 0.00 C ATOM 390 C LYS A 25 -16.374 9.435 -8.089 1.00 0.00 C ATOM 391 O LYS A 25 -15.874 9.886 -9.123 1.00 0.00 O ATOM 392 CB LYS A 25 -15.190 9.624 -5.881 1.00 0.00 C ATOM 393 CG LYS A 25 -13.786 9.674 -6.480 1.00 0.00 C ATOM 394 CD LYS A 25 -13.393 11.087 -6.886 1.00 0.00 C ATOM 395 CE LYS A 25 -11.963 11.152 -7.402 1.00 0.00 C ATOM 396 NZ LYS A 25 -10.959 10.967 -6.320 1.00 0.00 N ATOM 0 H LYS A 25 -17.546 9.756 -5.159 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.034 11.247 -7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -15.186 10.162 -4.933 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.439 8.587 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.068 9.292 -5.755 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.739 9.020 -7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.074 11.446 -7.658 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.501 11.754 -6.031 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.819 10.384 -8.162 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.798 12.115 -7.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.007 10.918 -6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.008 11.769 -5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.159 10.084 -5.808 1.00 0.00 H new ATOM 410 N GLU A 26 -17.026 8.277 -8.045 1.00 0.00 N ATOM 411 CA GLU A 26 -17.193 7.450 -9.232 1.00 0.00 C ATOM 412 C GLU A 26 -18.057 8.176 -10.263 1.00 0.00 C ATOM 413 O GLU A 26 -17.721 8.234 -11.444 1.00 0.00 O ATOM 414 CB GLU A 26 -17.826 6.105 -8.858 1.00 0.00 C ATOM 415 CG GLU A 26 -17.813 5.089 -9.987 1.00 0.00 C ATOM 416 CD GLU A 26 -16.409 4.685 -10.382 1.00 0.00 C ATOM 417 OE1 GLU A 26 -15.694 5.515 -10.975 1.00 0.00 O ATOM 418 OE2 GLU A 26 -16.011 3.535 -10.106 1.00 0.00 O ATOM 0 H GLU A 26 -17.447 7.891 -7.200 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.212 7.262 -9.669 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.296 5.690 -8.001 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -18.856 6.273 -8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.371 4.204 -9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -18.326 5.506 -10.854 1.00 0.00 H new ATOM 425 N LYS A 27 -19.165 8.739 -9.791 1.00 0.00 N ATOM 426 CA LYS A 27 -20.073 9.504 -10.641 1.00 0.00 C ATOM 427 C LYS A 27 -19.358 10.642 -11.359 1.00 0.00 C ATOM 428 O LYS A 27 -19.549 10.837 -12.559 1.00 0.00 O ATOM 429 CB LYS A 27 -21.234 10.061 -9.815 1.00 0.00 C ATOM 430 CG LYS A 27 -22.310 9.030 -9.508 1.00 0.00 C ATOM 431 CD LYS A 27 -23.477 9.635 -8.740 1.00 0.00 C ATOM 432 CE LYS A 27 -24.180 10.718 -9.544 1.00 0.00 C ATOM 433 NZ LYS A 27 -25.343 11.282 -8.812 1.00 0.00 N ATOM 0 H LYS A 27 -19.458 8.679 -8.816 1.00 0.00 H new ATOM 0 HA LYS A 27 -20.459 8.821 -11.398 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -20.845 10.458 -8.878 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -21.684 10.896 -10.352 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -22.674 8.598 -10.440 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -21.877 8.216 -8.927 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -24.190 8.851 -8.485 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -23.116 10.055 -7.801 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -23.474 11.516 -9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -24.515 10.305 -10.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.765 12.051 -9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -26.052 10.536 -8.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -25.028 11.654 -7.893 1.00 0.00 H new ATOM 447 N VAL A 28 -18.532 11.384 -10.627 1.00 0.00 N ATOM 448 CA VAL A 28 -17.806 12.511 -11.203 1.00 0.00 C ATOM 449 C VAL A 28 -16.863 12.040 -12.311 1.00 0.00 C ATOM 450 O VAL A 28 -16.721 12.696 -13.342 1.00 0.00 O ATOM 451 CB VAL A 28 -17.005 13.283 -10.124 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.242 14.442 -10.743 1.00 0.00 C ATOM 453 CG2 VAL A 28 -17.923 13.796 -9.024 1.00 0.00 C ATOM 0 H VAL A 28 -18.349 11.226 -9.636 1.00 0.00 H new ATOM 0 HA VAL A 28 -18.546 13.188 -11.629 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.291 12.587 -9.684 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.688 14.969 -9.966 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.546 14.062 -11.491 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.944 15.128 -11.216 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.335 14.334 -8.280 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.666 14.468 -9.454 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.427 12.954 -8.549 1.00 0.00 H new ATOM 463 N MET A 29 -16.251 10.878 -12.114 1.00 0.00 N ATOM 464 CA MET A 29 -15.297 10.345 -13.083 1.00 0.00 C ATOM 465 C MET A 29 -16.004 9.628 -14.232 1.00 0.00 C ATOM 466 O MET A 29 -15.361 9.160 -15.172 1.00 0.00 O ATOM 467 CB MET A 29 -14.316 9.391 -12.395 1.00 0.00 C ATOM 468 CG MET A 29 -13.425 10.068 -11.360 1.00 0.00 C ATOM 469 SD MET A 29 -12.294 8.918 -10.547 1.00 0.00 S ATOM 470 CE MET A 29 -11.334 8.330 -11.944 1.00 0.00 C ATOM 0 H MET A 29 -16.397 10.287 -11.295 1.00 0.00 H new ATOM 0 HA MET A 29 -14.746 11.188 -13.501 1.00 0.00 H new ATOM 0 HB2 MET A 29 -14.879 8.593 -11.910 1.00 0.00 H new ATOM 0 HB3 MET A 29 -13.687 8.923 -13.152 1.00 0.00 H new ATOM 0 HG2 MET A 29 -12.848 10.856 -11.844 1.00 0.00 H new ATOM 0 HG3 MET A 29 -14.051 10.548 -10.607 1.00 0.00 H new ATOM 0 HE1 MET A 29 -10.411 7.875 -11.585 1.00 0.00 H new ATOM 0 HE2 MET A 29 -11.912 7.590 -12.497 1.00 0.00 H new ATOM 0 HE3 MET A 29 -11.095 9.167 -12.600 1.00 0.00 H new ATOM 480 N LYS A 30 -17.324 9.543 -14.152 1.00 0.00 N ATOM 481 CA LYS A 30 -18.113 8.903 -15.198 1.00 0.00 C ATOM 482 C LYS A 30 -18.813 9.935 -16.073 1.00 0.00 C ATOM 483 O LYS A 30 -19.419 9.586 -17.087 1.00 0.00 O ATOM 484 CB LYS A 30 -19.140 7.944 -14.588 1.00 0.00 C ATOM 485 CG LYS A 30 -18.698 6.487 -14.574 1.00 0.00 C ATOM 486 CD LYS A 30 -17.317 6.326 -13.964 1.00 0.00 C ATOM 487 CE LYS A 30 -16.900 4.868 -13.893 1.00 0.00 C ATOM 488 NZ LYS A 30 -15.485 4.725 -13.461 1.00 0.00 N ATOM 0 H LYS A 30 -17.873 9.909 -13.374 1.00 0.00 H new ATOM 0 HA LYS A 30 -17.429 8.333 -15.827 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -19.352 8.258 -13.566 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -20.073 8.024 -15.146 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -19.417 5.894 -14.009 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -18.694 6.098 -15.592 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.591 6.884 -14.556 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.309 6.756 -12.962 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.549 4.337 -13.197 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -17.032 4.403 -14.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.273 3.721 -13.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.856 5.091 -14.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.334 5.263 -12.584 1.00 0.00 H new ATOM 502 N ASP A 31 -18.724 11.205 -15.693 1.00 0.00 N ATOM 503 CA ASP A 31 -19.346 12.270 -16.468 1.00 0.00 C ATOM 504 C ASP A 31 -18.505 12.599 -17.691 1.00 0.00 C ATOM 505 O ASP A 31 -17.279 12.682 -17.610 1.00 0.00 O ATOM 506 CB ASP A 31 -19.535 13.527 -15.626 1.00 0.00 C ATOM 507 CG ASP A 31 -20.174 14.644 -16.425 1.00 0.00 C ATOM 508 OD1 ASP A 31 -21.413 14.632 -16.581 1.00 0.00 O ATOM 509 OD2 ASP A 31 -19.441 15.515 -16.926 1.00 0.00 O ATOM 0 H ASP A 31 -18.230 11.520 -14.858 1.00 0.00 H new ATOM 0 HA ASP A 31 -20.326 11.916 -16.788 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -20.157 13.296 -14.761 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.569 13.858 -15.245 1.00 0.00 H new ATOM 514 N GLN A 32 -19.182 12.791 -18.812 1.00 0.00 N ATOM 515 CA GLN A 32 -18.522 13.019 -20.091 1.00 0.00 C ATOM 516 C GLN A 32 -17.794 14.360 -20.113 1.00 0.00 C ATOM 517 O GLN A 32 -16.651 14.446 -20.565 1.00 0.00 O ATOM 518 CB GLN A 32 -19.550 12.960 -21.225 1.00 0.00 C ATOM 519 CG GLN A 32 -20.296 11.633 -21.296 1.00 0.00 C ATOM 520 CD GLN A 32 -21.356 11.605 -22.386 1.00 0.00 C ATOM 521 OE1 GLN A 32 -21.228 12.268 -23.415 1.00 0.00 O ATOM 522 NE2 GLN A 32 -22.411 10.834 -22.168 1.00 0.00 N ATOM 0 H GLN A 32 -20.201 12.794 -18.863 1.00 0.00 H new ATOM 0 HA GLN A 32 -17.779 12.234 -20.232 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -20.271 13.767 -21.095 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -19.044 13.135 -22.174 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -19.581 10.829 -21.472 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -20.767 11.435 -20.333 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -22.482 10.299 -21.302 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -23.153 10.775 -22.866 1.00 0.00 H new ATOM 531 N ASP A 33 -18.446 15.394 -19.597 1.00 0.00 N ATOM 532 CA ASP A 33 -17.885 16.738 -19.617 1.00 0.00 C ATOM 533 C ASP A 33 -16.710 16.839 -18.660 1.00 0.00 C ATOM 534 O ASP A 33 -15.679 17.415 -18.997 1.00 0.00 O ATOM 535 CB ASP A 33 -18.940 17.783 -19.244 1.00 0.00 C ATOM 536 CG ASP A 33 -20.052 17.898 -20.266 1.00 0.00 C ATOM 537 OD1 ASP A 33 -21.062 17.172 -20.140 1.00 0.00 O ATOM 538 OD2 ASP A 33 -19.936 18.729 -21.193 1.00 0.00 O ATOM 0 H ASP A 33 -19.365 15.327 -19.159 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.541 16.937 -20.632 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.370 17.526 -18.276 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.457 18.754 -19.131 1.00 0.00 H new ATOM 543 N VAL A 34 -16.874 16.271 -17.467 1.00 0.00 N ATOM 544 CA VAL A 34 -15.832 16.293 -16.443 1.00 0.00 C ATOM 545 C VAL A 34 -14.507 15.721 -16.964 1.00 0.00 C ATOM 546 O VAL A 34 -13.475 16.387 -16.914 1.00 0.00 O ATOM 547 CB VAL A 34 -16.271 15.513 -15.181 1.00 0.00 C ATOM 548 CG1 VAL A 34 -15.108 15.320 -14.215 1.00 0.00 C ATOM 549 CG2 VAL A 34 -17.414 16.233 -14.480 1.00 0.00 C ATOM 0 H VAL A 34 -17.726 15.786 -17.184 1.00 0.00 H new ATOM 0 HA VAL A 34 -15.676 17.339 -16.179 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.613 14.529 -15.503 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.450 14.769 -13.339 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.314 14.760 -14.709 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.727 16.293 -13.905 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -17.710 15.670 -13.595 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.089 17.230 -14.184 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -18.263 16.315 -15.159 1.00 0.00 H new ATOM 559 N GLN A 35 -14.541 14.497 -17.479 1.00 0.00 N ATOM 560 CA GLN A 35 -13.320 13.832 -17.936 1.00 0.00 C ATOM 561 C GLN A 35 -12.700 14.543 -19.137 1.00 0.00 C ATOM 562 O GLN A 35 -11.474 14.592 -19.275 1.00 0.00 O ATOM 563 CB GLN A 35 -13.591 12.362 -18.248 1.00 0.00 C ATOM 564 CG GLN A 35 -14.753 12.125 -19.201 1.00 0.00 C ATOM 565 CD GLN A 35 -15.246 10.686 -19.195 1.00 0.00 C ATOM 566 OE1 GLN A 35 -15.718 10.176 -20.213 1.00 0.00 O ATOM 567 NE2 GLN A 35 -15.174 10.030 -18.041 1.00 0.00 N ATOM 0 H GLN A 35 -15.392 13.946 -17.591 1.00 0.00 H new ATOM 0 HA GLN A 35 -12.595 13.883 -17.124 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.690 11.922 -18.676 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.790 11.836 -17.314 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -15.577 12.786 -18.931 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -14.446 12.394 -20.212 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.777 10.485 -17.219 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.516 9.071 -17.977 1.00 0.00 H new ATOM 576 N ALA A 36 -13.538 15.103 -19.996 1.00 0.00 N ATOM 577 CA ALA A 36 -13.056 15.893 -21.124 1.00 0.00 C ATOM 578 C ALA A 36 -12.391 17.169 -20.626 1.00 0.00 C ATOM 579 O ALA A 36 -11.340 17.577 -21.121 1.00 0.00 O ATOM 580 CB ALA A 36 -14.198 16.222 -22.072 1.00 0.00 C ATOM 0 H ALA A 36 -14.553 15.027 -19.936 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.318 15.306 -21.670 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -13.819 16.812 -22.907 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.635 15.298 -22.449 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.959 16.793 -21.540 1.00 0.00 H new ATOM 586 N PHE A 37 -13.014 17.778 -19.632 1.00 0.00 N ATOM 587 CA PHE A 37 -12.479 18.965 -18.986 1.00 0.00 C ATOM 588 C PHE A 37 -11.133 18.665 -18.328 1.00 0.00 C ATOM 589 O PHE A 37 -10.213 19.487 -18.368 1.00 0.00 O ATOM 590 CB PHE A 37 -13.483 19.468 -17.947 1.00 0.00 C ATOM 591 CG PHE A 37 -13.007 20.633 -17.134 1.00 0.00 C ATOM 592 CD1 PHE A 37 -13.048 21.915 -17.647 1.00 0.00 C ATOM 593 CD2 PHE A 37 -12.532 20.441 -15.849 1.00 0.00 C ATOM 594 CE1 PHE A 37 -12.628 22.990 -16.891 1.00 0.00 C ATOM 595 CE2 PHE A 37 -12.107 21.512 -15.088 1.00 0.00 C ATOM 596 CZ PHE A 37 -12.156 22.787 -15.610 1.00 0.00 C ATOM 0 H PHE A 37 -13.906 17.464 -19.249 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.317 19.738 -19.737 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.404 19.750 -18.457 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -13.730 18.648 -17.273 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.413 22.077 -18.650 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.493 19.443 -15.437 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -12.668 23.988 -17.301 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.737 21.351 -14.086 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.825 23.627 -15.017 1.00 0.00 H new ATOM 606 N LEU A 38 -11.028 17.482 -17.731 1.00 0.00 N ATOM 607 CA LEU A 38 -9.804 17.060 -17.060 1.00 0.00 C ATOM 608 C LEU A 38 -8.626 16.989 -18.024 1.00 0.00 C ATOM 609 O LEU A 38 -7.569 17.551 -17.754 1.00 0.00 O ATOM 610 CB LEU A 38 -9.996 15.700 -16.379 1.00 0.00 C ATOM 611 CG LEU A 38 -10.173 15.748 -14.861 1.00 0.00 C ATOM 612 CD1 LEU A 38 -8.990 16.448 -14.214 1.00 0.00 C ATOM 613 CD2 LEU A 38 -11.475 16.438 -14.489 1.00 0.00 C ATOM 0 H LEU A 38 -11.781 16.795 -17.699 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.580 17.812 -16.303 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -10.869 15.214 -16.815 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.135 15.073 -16.608 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.217 14.725 -14.488 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.130 16.475 -13.133 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.074 15.906 -14.448 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.917 17.466 -14.596 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.578 16.460 -13.404 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.469 17.458 -14.873 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.313 15.892 -14.922 1.00 0.00 H new ATOM 625 N LYS A 39 -8.810 16.310 -19.150 1.00 0.00 N ATOM 626 CA LYS A 39 -7.720 16.132 -20.110 1.00 0.00 C ATOM 627 C LYS A 39 -7.378 17.447 -20.800 1.00 0.00 C ATOM 628 O LYS A 39 -6.273 17.625 -21.316 1.00 0.00 O ATOM 629 CB LYS A 39 -8.060 15.061 -21.154 1.00 0.00 C ATOM 630 CG LYS A 39 -9.343 15.322 -21.931 1.00 0.00 C ATOM 631 CD LYS A 39 -9.456 14.417 -23.150 1.00 0.00 C ATOM 632 CE LYS A 39 -9.400 12.947 -22.771 1.00 0.00 C ATOM 633 NZ LYS A 39 -9.436 12.066 -23.967 1.00 0.00 N ATOM 0 H LYS A 39 -9.692 15.877 -19.422 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.848 15.796 -19.549 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.232 14.983 -21.859 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.143 14.097 -20.653 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.202 15.164 -21.279 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.371 16.365 -22.248 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.392 14.623 -23.669 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.649 14.643 -23.846 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.490 12.753 -22.204 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.240 12.708 -22.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.396 11.071 -23.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.316 12.233 -24.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.621 12.276 -24.578 1.00 0.00 H new ATOM 647 N GLU A 40 -8.332 18.360 -20.822 1.00 0.00 N ATOM 648 CA GLU A 40 -8.109 19.680 -21.384 1.00 0.00 C ATOM 649 C GLU A 40 -7.293 20.549 -20.430 1.00 0.00 C ATOM 650 O GLU A 40 -6.432 21.315 -20.855 1.00 0.00 O ATOM 651 CB GLU A 40 -9.447 20.346 -21.689 1.00 0.00 C ATOM 652 CG GLU A 40 -9.695 20.547 -23.175 1.00 0.00 C ATOM 653 CD GLU A 40 -11.058 21.138 -23.467 1.00 0.00 C ATOM 654 OE1 GLU A 40 -11.202 22.373 -23.397 1.00 0.00 O ATOM 655 OE2 GLU A 40 -11.991 20.364 -23.776 1.00 0.00 O ATOM 0 H GLU A 40 -9.272 18.211 -20.456 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.543 19.570 -22.309 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.250 19.738 -21.273 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.486 21.313 -21.187 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.925 21.202 -23.582 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.602 19.589 -23.687 1.00 0.00 H new ATOM 662 N ASN A 41 -7.550 20.408 -19.137 1.00 0.00 N ATOM 663 CA ASN A 41 -6.913 21.260 -18.138 1.00 0.00 C ATOM 664 C ASN A 41 -5.918 20.482 -17.286 1.00 0.00 C ATOM 665 O ASN A 41 -5.605 20.884 -16.167 1.00 0.00 O ATOM 666 CB ASN A 41 -7.966 21.896 -17.235 1.00 0.00 C ATOM 667 CG ASN A 41 -8.816 22.927 -17.950 1.00 0.00 C ATOM 668 OD1 ASN A 41 -8.479 24.108 -17.981 1.00 0.00 O ATOM 669 ND2 ASN A 41 -9.928 22.489 -18.522 1.00 0.00 N ATOM 0 H ASN A 41 -8.193 19.715 -18.754 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.369 22.038 -18.674 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.612 21.115 -16.834 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.471 22.367 -16.386 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.541 23.141 -19.011 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.171 21.500 -18.473 1.00 0.00 H new ATOM 676 N GLU A 42 -5.389 19.396 -17.836 1.00 0.00 N ATOM 677 CA GLU A 42 -4.471 18.521 -17.105 1.00 0.00 C ATOM 678 C GLU A 42 -3.183 19.253 -16.735 1.00 0.00 C ATOM 679 O GLU A 42 -2.448 18.833 -15.843 1.00 0.00 O ATOM 680 CB GLU A 42 -4.120 17.296 -17.945 1.00 0.00 C ATOM 681 CG GLU A 42 -3.392 17.644 -19.231 1.00 0.00 C ATOM 682 CD GLU A 42 -2.626 16.472 -19.803 1.00 0.00 C ATOM 683 OE1 GLU A 42 -1.491 16.223 -19.346 1.00 0.00 O ATOM 684 OE2 GLU A 42 -3.147 15.803 -20.715 1.00 0.00 O ATOM 0 H GLU A 42 -5.580 19.096 -18.792 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.976 18.210 -16.191 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.499 16.623 -17.354 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.035 16.755 -18.187 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.113 17.996 -19.968 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.702 18.466 -19.042 1.00 0.00 H new ATOM 691 N GLU A 43 -2.902 20.332 -17.451 1.00 0.00 N ATOM 692 CA GLU A 43 -1.703 21.118 -17.209 1.00 0.00 C ATOM 693 C GLU A 43 -1.863 21.967 -15.950 1.00 0.00 C ATOM 694 O GLU A 43 -0.882 22.404 -15.345 1.00 0.00 O ATOM 695 CB GLU A 43 -1.419 22.012 -18.418 1.00 0.00 C ATOM 696 CG GLU A 43 -0.058 22.693 -18.383 1.00 0.00 C ATOM 697 CD GLU A 43 1.090 21.706 -18.380 1.00 0.00 C ATOM 698 OE1 GLU A 43 1.472 21.225 -19.469 1.00 0.00 O ATOM 699 OE2 GLU A 43 1.622 21.404 -17.293 1.00 0.00 O ATOM 0 H GLU A 43 -3.491 20.683 -18.206 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.862 20.440 -17.060 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.489 21.411 -19.325 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.194 22.776 -18.481 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.037 23.351 -19.247 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.006 23.321 -17.495 1.00 0.00 H new ATOM 706 N VAL A 44 -3.104 22.187 -15.555 1.00 0.00 N ATOM 707 CA VAL A 44 -3.398 23.033 -14.412 1.00 0.00 C ATOM 708 C VAL A 44 -3.871 22.198 -13.228 1.00 0.00 C ATOM 709 O VAL A 44 -3.390 22.358 -12.106 1.00 0.00 O ATOM 710 CB VAL A 44 -4.478 24.081 -14.759 1.00 0.00 C ATOM 711 CG1 VAL A 44 -4.669 25.059 -13.612 1.00 0.00 C ATOM 712 CG2 VAL A 44 -4.122 24.822 -16.040 1.00 0.00 C ATOM 0 H VAL A 44 -3.926 21.791 -16.010 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.476 23.549 -14.144 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.419 23.554 -14.920 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.434 25.788 -13.879 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.980 24.516 -12.719 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.730 25.575 -13.414 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.897 25.555 -16.264 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.167 25.332 -15.912 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.046 24.111 -16.863 1.00 0.00 H new ATOM 722 N ILE A 45 -4.791 21.290 -13.497 1.00 0.00 N ATOM 723 CA ILE A 45 -5.445 20.522 -12.447 1.00 0.00 C ATOM 724 C ILE A 45 -4.592 19.345 -11.985 1.00 0.00 C ATOM 725 O ILE A 45 -3.895 18.717 -12.782 1.00 0.00 O ATOM 726 CB ILE A 45 -6.809 20.006 -12.933 1.00 0.00 C ATOM 727 CG1 ILE A 45 -7.628 21.172 -13.476 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.554 19.307 -11.806 1.00 0.00 C ATOM 729 CD1 ILE A 45 -8.931 20.759 -14.116 1.00 0.00 C ATOM 0 H ILE A 45 -5.106 21.063 -14.440 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.585 21.192 -11.599 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.651 19.278 -13.729 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.838 21.866 -12.662 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.030 21.713 -14.209 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.516 18.950 -12.173 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.965 18.462 -11.450 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.715 20.008 -10.987 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.455 21.644 -14.477 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.729 20.090 -14.952 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.550 20.245 -13.381 1.00 0.00 H new ATOM 741 N ASP A 46 -4.657 19.056 -10.690 1.00 0.00 N ATOM 742 CA ASP A 46 -3.961 17.917 -10.115 1.00 0.00 C ATOM 743 C ASP A 46 -4.930 17.114 -9.246 1.00 0.00 C ATOM 744 O ASP A 46 -6.102 17.472 -9.131 1.00 0.00 O ATOM 745 CB ASP A 46 -2.759 18.377 -9.282 1.00 0.00 C ATOM 746 CG ASP A 46 -3.121 18.671 -7.839 1.00 0.00 C ATOM 747 OD1 ASP A 46 -3.786 19.694 -7.575 1.00 0.00 O ATOM 748 OD2 ASP A 46 -2.746 17.864 -6.964 1.00 0.00 O ATOM 0 H ASP A 46 -5.191 19.603 -10.015 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.590 17.286 -10.923 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.988 17.607 -9.309 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.331 19.272 -9.734 1.00 0.00 H new ATOM 753 N GLN A 47 -4.438 16.048 -8.622 1.00 0.00 N ATOM 754 CA GLN A 47 -5.280 15.170 -7.816 1.00 0.00 C ATOM 755 C GLN A 47 -5.858 15.885 -6.597 1.00 0.00 C ATOM 756 O GLN A 47 -7.033 15.706 -6.273 1.00 0.00 O ATOM 757 CB GLN A 47 -4.495 13.936 -7.379 1.00 0.00 C ATOM 758 CG GLN A 47 -4.226 12.965 -8.516 1.00 0.00 C ATOM 759 CD GLN A 47 -5.471 12.222 -8.971 1.00 0.00 C ATOM 760 OE1 GLN A 47 -6.589 12.726 -8.874 1.00 0.00 O ATOM 761 NE2 GLN A 47 -5.280 11.018 -9.483 1.00 0.00 N ATOM 0 H GLN A 47 -3.457 15.771 -8.659 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.118 14.863 -8.442 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.545 14.252 -6.947 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.048 13.421 -6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.807 13.511 -9.361 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.474 12.242 -8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.337 10.634 -9.546 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.076 10.473 -9.815 1.00 0.00 H new ATOM 770 N LYS A 48 -5.040 16.691 -5.921 1.00 0.00 N ATOM 771 CA LYS A 48 -5.511 17.463 -4.784 1.00 0.00 C ATOM 772 C LYS A 48 -6.628 18.403 -5.202 1.00 0.00 C ATOM 773 O LYS A 48 -7.647 18.508 -4.519 1.00 0.00 O ATOM 774 CB LYS A 48 -4.376 18.266 -4.154 1.00 0.00 C ATOM 775 CG LYS A 48 -3.426 17.438 -3.312 1.00 0.00 C ATOM 776 CD LYS A 48 -2.419 16.665 -4.142 1.00 0.00 C ATOM 777 CE LYS A 48 -1.439 15.918 -3.251 1.00 0.00 C ATOM 778 NZ LYS A 48 -0.789 16.820 -2.259 1.00 0.00 N ATOM 0 H LYS A 48 -4.053 16.823 -6.144 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.892 16.759 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.810 18.757 -4.945 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.803 19.053 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.894 18.094 -2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.002 16.739 -2.706 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.940 15.959 -4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.875 17.350 -4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.962 15.119 -2.726 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.674 15.447 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.187 16.504 -2.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.779 17.792 -2.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.321 16.794 -1.366 1.00 0.00 H new ATOM 792 N MET A 49 -6.432 19.077 -6.328 1.00 0.00 N ATOM 793 CA MET A 49 -7.431 19.989 -6.856 1.00 0.00 C ATOM 794 C MET A 49 -8.763 19.268 -7.055 1.00 0.00 C ATOM 795 O MET A 49 -9.823 19.825 -6.780 1.00 0.00 O ATOM 796 CB MET A 49 -6.954 20.588 -8.178 1.00 0.00 C ATOM 797 CG MET A 49 -7.748 21.805 -8.607 1.00 0.00 C ATOM 798 SD MET A 49 -7.099 22.576 -10.104 1.00 0.00 S ATOM 799 CE MET A 49 -5.418 22.938 -9.600 1.00 0.00 C ATOM 0 H MET A 49 -5.586 19.007 -6.893 1.00 0.00 H new ATOM 0 HA MET A 49 -7.577 20.795 -6.137 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.903 20.863 -8.086 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.018 19.828 -8.957 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.785 21.515 -8.774 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.748 22.536 -7.799 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.020 23.746 -10.214 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.409 23.240 -8.553 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.801 22.048 -9.726 1.00 0.00 H new ATOM 809 N ILE A 50 -8.692 18.023 -7.515 1.00 0.00 N ATOM 810 CA ILE A 50 -9.879 17.197 -7.711 1.00 0.00 C ATOM 811 C ILE A 50 -10.625 16.991 -6.393 1.00 0.00 C ATOM 812 O ILE A 50 -11.814 17.279 -6.295 1.00 0.00 O ATOM 813 CB ILE A 50 -9.513 15.816 -8.303 1.00 0.00 C ATOM 814 CG1 ILE A 50 -8.828 15.981 -9.666 1.00 0.00 C ATOM 815 CG2 ILE A 50 -10.751 14.933 -8.433 1.00 0.00 C ATOM 816 CD1 ILE A 50 -9.716 16.615 -10.712 1.00 0.00 C ATOM 0 H ILE A 50 -7.817 17.560 -7.761 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.523 17.726 -8.414 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.818 15.328 -7.620 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.933 16.590 -9.543 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.502 15.003 -10.021 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.467 13.968 -8.852 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.197 14.785 -7.450 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.474 15.415 -9.091 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.168 16.701 -11.650 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.600 15.995 -10.863 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.021 17.606 -10.378 1.00 0.00 H new ATOM 828 N GLU A 51 -9.911 16.507 -5.386 1.00 0.00 N ATOM 829 CA GLU A 51 -10.503 16.222 -4.083 1.00 0.00 C ATOM 830 C GLU A 51 -11.056 17.495 -3.440 1.00 0.00 C ATOM 831 O GLU A 51 -12.112 17.481 -2.805 1.00 0.00 O ATOM 832 CB GLU A 51 -9.461 15.591 -3.158 1.00 0.00 C ATOM 833 CG GLU A 51 -8.769 14.370 -3.748 1.00 0.00 C ATOM 834 CD GLU A 51 -9.715 13.208 -3.983 1.00 0.00 C ATOM 835 OE1 GLU A 51 -10.397 13.189 -5.029 1.00 0.00 O ATOM 836 OE2 GLU A 51 -9.766 12.298 -3.129 1.00 0.00 O ATOM 0 H GLU A 51 -8.914 16.302 -5.446 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.326 15.524 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.708 16.339 -2.912 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.944 15.306 -2.224 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.300 14.646 -4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.971 14.052 -3.077 1.00 0.00 H new ATOM 843 N LYS A 52 -10.339 18.600 -3.618 1.00 0.00 N ATOM 844 CA LYS A 52 -10.742 19.876 -3.036 1.00 0.00 C ATOM 845 C LYS A 52 -11.994 20.430 -3.709 1.00 0.00 C ATOM 846 O LYS A 52 -12.758 21.177 -3.095 1.00 0.00 O ATOM 847 CB LYS A 52 -9.603 20.892 -3.132 1.00 0.00 C ATOM 848 CG LYS A 52 -8.403 20.554 -2.258 1.00 0.00 C ATOM 849 CD LYS A 52 -8.753 20.574 -0.774 1.00 0.00 C ATOM 850 CE LYS A 52 -9.217 21.952 -0.332 1.00 0.00 C ATOM 851 NZ LYS A 52 -9.435 22.028 1.136 1.00 0.00 N ATOM 0 H LYS A 52 -9.476 18.638 -4.160 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.975 19.698 -1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.277 20.961 -4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.981 21.875 -2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.024 19.568 -2.528 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.602 21.267 -2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.536 19.843 -0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.882 20.277 -0.189 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.475 22.695 -0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.143 22.204 -0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.750 22.986 1.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.162 21.338 1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.546 21.813 1.631 1.00 0.00 H new ATOM 865 N SER A 53 -12.215 20.059 -4.962 1.00 0.00 N ATOM 866 CA SER A 53 -13.358 20.568 -5.703 1.00 0.00 C ATOM 867 C SER A 53 -14.346 19.452 -6.032 1.00 0.00 C ATOM 868 O SER A 53 -15.217 19.619 -6.883 1.00 0.00 O ATOM 869 CB SER A 53 -12.893 21.265 -6.985 1.00 0.00 C ATOM 870 OG SER A 53 -12.156 20.387 -7.813 1.00 0.00 O ATOM 0 H SER A 53 -11.623 19.412 -5.483 1.00 0.00 H new ATOM 0 HA SER A 53 -13.871 21.294 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.758 21.641 -7.531 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.278 22.128 -6.729 1.00 0.00 H new ATOM 0 HG SER A 53 -11.354 20.084 -7.337 1.00 0.00 H new ATOM 876 N LEU A 54 -14.213 18.324 -5.338 1.00 0.00 N ATOM 877 CA LEU A 54 -15.105 17.184 -5.515 1.00 0.00 C ATOM 878 C LEU A 54 -16.551 17.610 -5.349 1.00 0.00 C ATOM 879 O LEU A 54 -17.431 17.205 -6.108 1.00 0.00 O ATOM 880 CB LEU A 54 -14.772 16.106 -4.487 1.00 0.00 C ATOM 881 CG LEU A 54 -14.403 14.746 -5.067 1.00 0.00 C ATOM 882 CD1 LEU A 54 -14.007 13.787 -3.954 1.00 0.00 C ATOM 883 CD2 LEU A 54 -15.555 14.176 -5.883 1.00 0.00 C ATOM 0 H LEU A 54 -13.485 18.176 -4.639 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.967 16.788 -6.521 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.944 16.457 -3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.629 15.980 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.550 14.876 -5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.746 12.820 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.148 14.189 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.842 13.665 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.269 13.205 -6.287 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.431 14.060 -5.244 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.791 14.855 -6.702 1.00 0.00 H new ATOM 895 N ASN A 55 -16.774 18.434 -4.344 1.00 0.00 N ATOM 896 CA ASN A 55 -18.093 18.984 -4.069 1.00 0.00 C ATOM 897 C ASN A 55 -18.603 19.787 -5.262 1.00 0.00 C ATOM 898 O ASN A 55 -19.748 19.632 -5.677 1.00 0.00 O ATOM 899 CB ASN A 55 -18.067 19.855 -2.802 1.00 0.00 C ATOM 900 CG ASN A 55 -17.118 21.044 -2.892 1.00 0.00 C ATOM 901 OD1 ASN A 55 -16.082 20.991 -3.560 1.00 0.00 O ATOM 902 ND2 ASN A 55 -17.464 22.126 -2.214 1.00 0.00 N ATOM 0 H ASN A 55 -16.050 18.742 -3.695 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.778 18.153 -3.898 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.074 20.220 -2.603 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -17.779 19.236 -1.953 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -16.867 22.952 -2.233 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -18.328 22.134 -1.672 1.00 0.00 H new ATOM 909 N LYS A 56 -17.731 20.613 -5.835 1.00 0.00 N ATOM 910 CA LYS A 56 -18.089 21.459 -6.969 1.00 0.00 C ATOM 911 C LYS A 56 -18.366 20.609 -8.205 1.00 0.00 C ATOM 912 O LYS A 56 -19.396 20.764 -8.857 1.00 0.00 O ATOM 913 CB LYS A 56 -16.964 22.457 -7.268 1.00 0.00 C ATOM 914 CG LYS A 56 -16.560 23.306 -6.073 1.00 0.00 C ATOM 915 CD LYS A 56 -17.661 24.273 -5.664 1.00 0.00 C ATOM 916 CE LYS A 56 -17.828 25.401 -6.674 1.00 0.00 C ATOM 917 NZ LYS A 56 -18.887 26.359 -6.263 1.00 0.00 N ATOM 0 H LYS A 56 -16.763 20.714 -5.529 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.993 22.010 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.091 21.910 -7.624 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -17.280 23.114 -8.078 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.317 22.656 -5.232 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.657 23.866 -6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.602 23.732 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.430 24.693 -4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.882 25.931 -6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -18.076 24.982 -7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -18.970 27.112 -6.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -19.795 25.858 -6.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -18.638 26.778 -5.344 1.00 0.00 H new ATOM 931 N LEU A 57 -17.440 19.704 -8.508 1.00 0.00 N ATOM 932 CA LEU A 57 -17.566 18.825 -9.664 1.00 0.00 C ATOM 933 C LEU A 57 -18.864 18.034 -9.594 1.00 0.00 C ATOM 934 O LEU A 57 -19.563 17.869 -10.598 1.00 0.00 O ATOM 935 CB LEU A 57 -16.373 17.866 -9.735 1.00 0.00 C ATOM 936 CG LEU A 57 -15.000 18.534 -9.861 1.00 0.00 C ATOM 937 CD1 LEU A 57 -13.894 17.491 -9.799 1.00 0.00 C ATOM 938 CD2 LEU A 57 -14.907 19.330 -11.156 1.00 0.00 C ATOM 0 H LEU A 57 -16.589 19.561 -7.964 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.580 19.441 -10.563 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.375 17.244 -8.840 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.514 17.200 -10.586 1.00 0.00 H new ATOM 0 HG LEU A 57 -14.876 19.222 -9.025 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.925 17.982 -9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -13.945 16.963 -8.847 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.018 16.780 -10.616 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.924 19.797 -11.227 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.053 18.662 -12.005 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -15.677 20.102 -11.165 1.00 0.00 H new ATOM 950 N TYR A 58 -19.195 17.567 -8.398 1.00 0.00 N ATOM 951 CA TYR A 58 -20.408 16.797 -8.198 1.00 0.00 C ATOM 952 C TYR A 58 -21.647 17.662 -8.405 1.00 0.00 C ATOM 953 O TYR A 58 -22.606 17.237 -9.042 1.00 0.00 O ATOM 954 CB TYR A 58 -20.430 16.167 -6.806 1.00 0.00 C ATOM 955 CG TYR A 58 -21.519 15.138 -6.652 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.496 13.978 -7.407 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.575 15.334 -5.774 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.493 13.034 -7.296 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.585 14.397 -5.657 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.539 13.249 -6.418 1.00 0.00 C ATOM 961 OH TYR A 58 -24.555 12.322 -6.318 1.00 0.00 O ATOM 0 H TYR A 58 -18.639 17.709 -7.555 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.419 15.999 -8.940 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.465 15.701 -6.607 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.567 16.949 -6.059 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -20.681 13.810 -8.096 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.609 16.231 -5.173 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -22.458 12.133 -7.890 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -24.405 14.564 -4.974 1.00 0.00 H new ATOM 0 HH TYR A 58 -25.416 12.786 -6.249 1.00 0.00 H new ATOM 971 N GLU A 59 -21.619 18.880 -7.879 1.00 0.00 N ATOM 972 CA GLU A 59 -22.705 19.808 -8.042 1.00 0.00 C ATOM 973 C GLU A 59 -22.962 20.084 -9.516 1.00 0.00 C ATOM 974 O GLU A 59 -24.106 20.191 -9.947 1.00 0.00 O ATOM 975 CB GLU A 59 -22.349 21.097 -7.326 1.00 0.00 C ATOM 976 CG GLU A 59 -22.381 20.996 -5.812 1.00 0.00 C ATOM 977 CD GLU A 59 -23.763 20.698 -5.267 1.00 0.00 C ATOM 978 OE1 GLU A 59 -24.102 19.509 -5.111 1.00 0.00 O ATOM 979 OE2 GLU A 59 -24.502 21.659 -4.967 1.00 0.00 O ATOM 0 H GLU A 59 -20.839 19.242 -7.330 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.614 19.381 -7.618 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.352 21.409 -7.637 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -23.041 21.878 -7.642 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.694 20.213 -5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -22.021 21.931 -5.383 1.00 0.00 H new ATOM 986 N TYR A 60 -21.882 20.192 -10.280 1.00 0.00 N ATOM 987 CA TYR A 60 -21.962 20.456 -11.711 1.00 0.00 C ATOM 988 C TYR A 60 -22.760 19.376 -12.436 1.00 0.00 C ATOM 989 O TYR A 60 -23.691 19.680 -13.179 1.00 0.00 O ATOM 990 CB TYR A 60 -20.551 20.552 -12.301 1.00 0.00 C ATOM 991 CG TYR A 60 -20.514 20.593 -13.814 1.00 0.00 C ATOM 992 CD1 TYR A 60 -20.861 21.742 -14.507 1.00 0.00 C ATOM 993 CD2 TYR A 60 -20.124 19.476 -14.546 1.00 0.00 C ATOM 994 CE1 TYR A 60 -20.824 21.779 -15.886 1.00 0.00 C ATOM 995 CE2 TYR A 60 -20.085 19.505 -15.925 1.00 0.00 C ATOM 996 CZ TYR A 60 -20.436 20.658 -16.592 1.00 0.00 C ATOM 997 OH TYR A 60 -20.398 20.687 -17.970 1.00 0.00 O ATOM 0 H TYR A 60 -20.930 20.099 -9.927 1.00 0.00 H new ATOM 0 HA TYR A 60 -22.481 21.404 -11.851 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -20.067 21.448 -11.912 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -19.966 19.699 -11.957 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -21.165 22.622 -13.959 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -19.847 18.571 -14.026 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -21.098 22.682 -16.411 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -19.781 18.629 -16.478 1.00 0.00 H new ATOM 0 HH TYR A 60 -20.198 21.597 -18.273 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.399 18.120 -12.205 1.00 0.00 N ATOM 1008 CA ILE A 61 -23.002 17.005 -12.929 1.00 0.00 C ATOM 1009 C ILE A 61 -24.448 16.760 -12.489 1.00 0.00 C ATOM 1010 O ILE A 61 -25.268 16.274 -13.270 1.00 0.00 O ATOM 1011 CB ILE A 61 -22.170 15.707 -12.782 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.154 15.215 -11.333 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -20.747 15.949 -13.270 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -21.421 13.903 -11.144 1.00 0.00 C ATOM 0 H ILE A 61 -21.692 17.847 -11.522 1.00 0.00 H new ATOM 0 HA ILE A 61 -23.009 17.286 -13.982 1.00 0.00 H new ATOM 0 HB ILE A 61 -22.637 14.933 -13.391 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -21.688 15.975 -10.706 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.181 15.101 -10.986 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.166 15.033 -13.165 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -20.768 16.247 -14.318 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.288 16.740 -12.677 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -21.451 13.618 -10.092 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -21.900 13.129 -11.744 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.384 14.017 -11.459 1.00 0.00 H new ATOM 1026 N GLU A 62 -24.750 17.076 -11.233 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.101 16.905 -10.704 1.00 0.00 C ATOM 1028 C GLU A 62 -27.032 17.998 -11.214 1.00 0.00 C ATOM 1029 O GLU A 62 -28.253 17.832 -11.238 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.071 16.923 -9.179 1.00 0.00 C ATOM 1031 CG GLU A 62 -25.216 15.824 -8.586 1.00 0.00 C ATOM 1032 CD GLU A 62 -25.885 14.465 -8.620 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -25.775 13.761 -9.645 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -26.503 14.083 -7.602 1.00 0.00 O ATOM 0 H GLU A 62 -24.079 17.451 -10.563 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.480 15.943 -11.048 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.696 17.889 -8.841 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -27.089 16.827 -8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.273 15.772 -9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.974 16.077 -7.554 1.00 0.00 H new ATOM 1041 N GLN A 63 -26.449 19.122 -11.604 1.00 0.00 N ATOM 1042 CA GLN A 63 -27.222 20.234 -12.142 1.00 0.00 C ATOM 1043 C GLN A 63 -27.569 20.001 -13.607 1.00 0.00 C ATOM 1044 O GLN A 63 -27.032 19.099 -14.252 1.00 0.00 O ATOM 1045 CB GLN A 63 -26.465 21.555 -11.991 1.00 0.00 C ATOM 1046 CG GLN A 63 -26.388 22.058 -10.560 1.00 0.00 C ATOM 1047 CD GLN A 63 -25.582 23.332 -10.440 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -26.116 24.433 -10.537 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -24.287 23.186 -10.222 1.00 0.00 N ATOM 0 H GLN A 63 -25.444 19.289 -11.558 1.00 0.00 H new ATOM 0 HA GLN A 63 -28.147 20.295 -11.569 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.453 21.429 -12.377 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -26.949 22.313 -12.607 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -27.396 22.232 -10.184 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -25.942 21.288 -9.931 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -23.884 22.252 -10.148 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.690 24.008 -10.128 1.00 0.00 H new ATOM 1058 N SER A 64 -28.474 20.818 -14.122 1.00 0.00 N ATOM 1059 CA SER A 64 -28.927 20.694 -15.494 1.00 0.00 C ATOM 1060 C SER A 64 -27.811 21.020 -16.484 1.00 0.00 C ATOM 1061 O SER A 64 -27.341 22.153 -16.564 1.00 0.00 O ATOM 1062 CB SER A 64 -30.121 21.619 -15.727 1.00 0.00 C ATOM 1063 OG SER A 64 -31.144 21.371 -14.778 1.00 0.00 O ATOM 0 H SER A 64 -28.911 21.580 -13.603 1.00 0.00 H new ATOM 0 HA SER A 64 -29.227 19.659 -15.660 1.00 0.00 H new ATOM 0 HB2 SER A 64 -29.800 22.658 -15.659 1.00 0.00 H new ATOM 0 HB3 SER A 64 -30.510 21.471 -16.734 1.00 0.00 H new ATOM 0 HG SER A 64 -31.743 22.146 -14.732 1.00 0.00 H new ATOM 1069 N LYS A 65 -27.385 20.004 -17.222 1.00 0.00 N ATOM 1070 CA LYS A 65 -26.444 20.185 -18.322 1.00 0.00 C ATOM 1071 C LYS A 65 -27.089 21.030 -19.421 1.00 0.00 C ATOM 1072 O LYS A 65 -26.410 21.701 -20.198 1.00 0.00 O ATOM 1073 CB LYS A 65 -26.018 18.815 -18.861 1.00 0.00 C ATOM 1074 CG LYS A 65 -25.109 18.868 -20.079 1.00 0.00 C ATOM 1075 CD LYS A 65 -24.694 17.472 -20.513 1.00 0.00 C ATOM 1076 CE LYS A 65 -23.993 17.482 -21.862 1.00 0.00 C ATOM 1077 NZ LYS A 65 -22.739 18.280 -21.848 1.00 0.00 N ATOM 0 H LYS A 65 -27.678 19.038 -17.078 1.00 0.00 H new ATOM 0 HA LYS A 65 -25.557 20.708 -17.966 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -25.508 18.270 -18.067 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -26.912 18.246 -19.116 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -25.623 19.369 -20.899 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -24.223 19.459 -19.850 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -24.031 17.041 -19.763 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -25.575 16.832 -20.566 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.764 16.458 -22.156 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -24.669 17.887 -22.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -22.129 17.982 -22.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -22.969 19.289 -21.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -22.241 18.128 -20.948 1.00 0.00 H new ATOM 1091 N ASN A 66 -28.413 20.977 -19.476 1.00 0.00 N ATOM 1092 CA ASN A 66 -29.197 21.748 -20.428 1.00 0.00 C ATOM 1093 C ASN A 66 -29.820 22.964 -19.752 1.00 0.00 C ATOM 1094 O ASN A 66 -29.403 23.373 -18.673 1.00 0.00 O ATOM 1095 CB ASN A 66 -30.317 20.877 -21.018 1.00 0.00 C ATOM 1096 CG ASN A 66 -31.251 20.321 -19.948 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -30.827 19.987 -18.844 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -32.532 20.235 -20.260 1.00 0.00 N ATOM 0 H ASN A 66 -28.976 20.394 -18.857 1.00 0.00 H new ATOM 0 HA ASN A 66 -28.530 22.081 -21.223 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -30.895 21.467 -21.729 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -29.875 20.051 -21.575 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -33.201 19.883 -19.575 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -32.852 20.521 -21.186 1.00 0.00 H new ATOM 1105 N CYS A 67 -30.818 23.542 -20.407 1.00 0.00 N ATOM 1106 CA CYS A 67 -31.603 24.619 -19.826 1.00 0.00 C ATOM 1107 C CYS A 67 -32.924 24.705 -20.569 1.00 0.00 C ATOM 1108 O CYS A 67 -33.008 24.286 -21.724 1.00 0.00 O ATOM 1109 CB CYS A 67 -30.866 25.962 -19.890 1.00 0.00 C ATOM 1110 SG CYS A 67 -31.084 26.883 -21.447 1.00 0.00 S ATOM 0 H CYS A 67 -31.104 23.279 -21.350 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.773 24.402 -18.772 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -31.207 26.587 -19.064 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -29.802 25.784 -19.736 1.00 0.00 H new ATOM 0 HG CYS A 67 -31.087 26.052 -22.446 1.00 0.00 H new ATOM 1115 N SER A 68 -33.924 25.285 -19.940 1.00 0.00 N ATOM 1116 CA SER A 68 -35.285 25.276 -20.479 1.00 0.00 C ATOM 1117 C SER A 68 -35.367 26.108 -21.757 1.00 0.00 C ATOM 1118 O SER A 68 -36.207 25.868 -22.614 1.00 0.00 O ATOM 1119 CB SER A 68 -36.269 25.812 -19.438 1.00 0.00 C ATOM 1120 OG SER A 68 -36.014 25.242 -18.165 1.00 0.00 O ATOM 0 H SER A 68 -33.828 25.773 -19.050 1.00 0.00 H new ATOM 0 HA SER A 68 -35.551 24.247 -20.721 1.00 0.00 H new ATOM 0 HB2 SER A 68 -36.187 26.897 -19.379 1.00 0.00 H new ATOM 0 HB3 SER A 68 -37.290 25.585 -19.745 1.00 0.00 H new ATOM 0 HG SER A 68 -35.285 25.730 -17.728 1.00 0.00 H new ATOM 1126 N TYR A 69 -34.463 27.070 -21.887 1.00 0.00 N ATOM 1127 CA TYR A 69 -34.411 27.928 -23.068 1.00 0.00 C ATOM 1128 C TYR A 69 -33.990 27.144 -24.316 1.00 0.00 C ATOM 1129 O TYR A 69 -33.961 27.682 -25.423 1.00 0.00 O ATOM 1130 CB TYR A 69 -33.433 29.070 -22.824 1.00 0.00 C ATOM 1131 CG TYR A 69 -33.895 30.392 -23.386 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -34.678 31.253 -22.630 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -33.553 30.777 -24.674 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -35.105 32.461 -23.141 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -33.977 31.983 -25.192 1.00 0.00 C ATOM 1136 CZ TYR A 69 -34.753 32.821 -24.423 1.00 0.00 C ATOM 1137 OH TYR A 69 -35.173 34.027 -24.934 1.00 0.00 O ATOM 0 H TYR A 69 -33.751 27.278 -21.186 1.00 0.00 H new ATOM 0 HA TYR A 69 -35.411 28.324 -23.243 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -33.273 29.177 -21.751 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -32.470 28.813 -23.266 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -34.958 30.973 -21.625 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -32.945 30.122 -25.281 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -35.712 33.121 -22.539 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -33.702 32.269 -26.196 1.00 0.00 H new ATOM 0 HH TYR A 69 -34.838 34.129 -25.849 1.00 0.00 H new ATOM 1147 N CYS A 70 -33.628 25.884 -24.129 1.00 0.00 N ATOM 1148 CA CYS A 70 -33.289 25.012 -25.252 1.00 0.00 C ATOM 1149 C CYS A 70 -33.926 23.635 -25.090 1.00 0.00 C ATOM 1150 O CYS A 70 -33.711 22.742 -25.909 1.00 0.00 O ATOM 1151 CB CYS A 70 -31.773 24.865 -25.389 1.00 0.00 C ATOM 1152 SG CYS A 70 -30.963 24.111 -23.942 1.00 0.00 S ATOM 0 H CYS A 70 -33.560 25.440 -23.213 1.00 0.00 H new ATOM 0 HA CYS A 70 -33.683 25.475 -26.157 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -31.556 24.260 -26.269 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -31.338 25.849 -25.563 1.00 0.00 H new ATOM 0 HG CYS A 70 -31.789 24.103 -22.938 1.00 0.00 H new ATOM 1157 N SER A 71 -34.700 23.461 -24.035 1.00 0.00 N ATOM 1158 CA SER A 71 -35.343 22.190 -23.774 1.00 0.00 C ATOM 1159 C SER A 71 -36.846 22.380 -23.644 1.00 0.00 C ATOM 1160 O SER A 71 -37.311 23.393 -23.131 1.00 0.00 O ATOM 1161 CB SER A 71 -34.768 21.557 -22.507 1.00 0.00 C ATOM 1162 OG SER A 71 -33.361 21.380 -22.618 1.00 0.00 O ATOM 0 H SER A 71 -34.898 24.186 -23.345 1.00 0.00 H new ATOM 0 HA SER A 71 -35.151 21.519 -24.611 1.00 0.00 H new ATOM 0 HB2 SER A 71 -34.992 22.188 -21.647 1.00 0.00 H new ATOM 0 HB3 SER A 71 -35.246 20.594 -22.328 1.00 0.00 H new ATOM 0 HG SER A 71 -32.906 22.214 -22.377 1.00 0.00 H new ATOM 1168 N GLU A 72 -37.598 21.398 -24.101 1.00 0.00 N ATOM 1169 CA GLU A 72 -39.048 21.489 -24.127 1.00 0.00 C ATOM 1170 C GLU A 72 -39.632 21.261 -22.734 1.00 0.00 C ATOM 1171 O GLU A 72 -40.804 21.548 -22.476 1.00 0.00 O ATOM 1172 CB GLU A 72 -39.587 20.465 -25.124 1.00 0.00 C ATOM 1173 CG GLU A 72 -41.054 20.621 -25.449 1.00 0.00 C ATOM 1174 CD GLU A 72 -41.464 19.741 -26.602 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -41.844 18.575 -26.358 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -41.398 20.207 -27.758 1.00 0.00 O ATOM 0 H GLU A 72 -37.226 20.520 -24.463 1.00 0.00 H new ATOM 0 HA GLU A 72 -39.346 22.489 -24.441 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -39.013 20.539 -26.048 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -39.420 19.465 -24.724 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -41.650 20.372 -24.571 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -41.264 21.662 -25.693 1.00 0.00 H new ATOM 1183 N ASP A 73 -38.799 20.757 -21.835 1.00 0.00 N ATOM 1184 CA ASP A 73 -39.214 20.496 -20.465 1.00 0.00 C ATOM 1185 C ASP A 73 -39.207 21.771 -19.628 1.00 0.00 C ATOM 1186 O ASP A 73 -38.213 22.088 -18.975 1.00 0.00 O ATOM 1187 CB ASP A 73 -38.307 19.453 -19.811 1.00 0.00 C ATOM 1188 CG ASP A 73 -38.938 18.078 -19.735 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -38.872 17.330 -20.733 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -39.499 17.741 -18.671 1.00 0.00 O ATOM 0 H ASP A 73 -37.827 20.520 -22.032 1.00 0.00 H new ATOM 0 HA ASP A 73 -40.233 20.111 -20.505 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -37.375 19.388 -20.373 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -38.050 19.784 -18.805 1.00 0.00 H new ATOM 1195 N GLU A 74 -40.321 22.496 -19.662 1.00 0.00 N ATOM 1196 CA GLU A 74 -40.513 23.691 -18.834 1.00 0.00 C ATOM 1197 C GLU A 74 -40.621 23.298 -17.357 1.00 0.00 C ATOM 1198 O GLU A 74 -40.554 24.136 -16.462 1.00 0.00 O ATOM 1199 CB GLU A 74 -41.782 24.426 -19.302 1.00 0.00 C ATOM 1200 CG GLU A 74 -42.201 25.613 -18.443 1.00 0.00 C ATOM 1201 CD GLU A 74 -41.241 26.787 -18.510 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -41.277 27.533 -19.512 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -40.483 26.998 -17.545 1.00 0.00 O ATOM 0 H GLU A 74 -41.116 22.276 -20.261 1.00 0.00 H new ATOM 0 HA GLU A 74 -39.657 24.357 -18.941 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -41.624 24.775 -20.323 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -42.605 23.712 -19.333 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -43.190 25.946 -18.758 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -42.289 25.287 -17.407 1.00 0.00 H new ATOM 1210 N ASN A 75 -40.757 22.000 -17.115 1.00 0.00 N ATOM 1211 CA ASN A 75 -40.909 21.479 -15.764 1.00 0.00 C ATOM 1212 C ASN A 75 -39.584 21.530 -14.998 1.00 0.00 C ATOM 1213 O ASN A 75 -39.565 21.465 -13.769 1.00 0.00 O ATOM 1214 CB ASN A 75 -41.452 20.045 -15.814 1.00 0.00 C ATOM 1215 CG ASN A 75 -41.602 19.417 -14.439 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -42.596 19.638 -13.749 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -40.633 18.601 -14.048 1.00 0.00 N ATOM 0 H ASN A 75 -40.765 21.285 -17.843 1.00 0.00 H new ATOM 0 HA ASN A 75 -41.622 22.108 -15.231 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -42.421 20.047 -16.314 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -40.783 19.430 -16.417 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -40.696 18.130 -13.145 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -39.825 18.444 -14.650 1.00 0.00 H new ATOM 1224 N CYS A 76 -38.482 21.670 -15.726 1.00 0.00 N ATOM 1225 CA CYS A 76 -37.158 21.699 -15.110 1.00 0.00 C ATOM 1226 C CYS A 76 -36.940 23.000 -14.341 1.00 0.00 C ATOM 1227 O CYS A 76 -36.948 24.088 -14.922 1.00 0.00 O ATOM 1228 CB CYS A 76 -36.077 21.537 -16.180 1.00 0.00 C ATOM 1229 SG CYS A 76 -36.267 20.054 -17.194 1.00 0.00 S ATOM 0 H CYS A 76 -38.477 21.765 -16.742 1.00 0.00 H new ATOM 0 HA CYS A 76 -37.093 20.870 -14.405 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -36.088 22.413 -16.829 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -35.101 21.511 -15.695 1.00 0.00 H new ATOM 0 HG CYS A 76 -35.310 20.003 -18.072 1.00 0.00 H new ATOM 1235 N ASN A 77 -36.750 22.885 -13.035 1.00 0.00 N ATOM 1236 CA ASN A 77 -36.527 24.051 -12.195 1.00 0.00 C ATOM 1237 C ASN A 77 -35.044 24.394 -12.163 1.00 0.00 C ATOM 1238 O ASN A 77 -34.264 23.769 -11.444 1.00 0.00 O ATOM 1239 CB ASN A 77 -37.044 23.798 -10.775 1.00 0.00 C ATOM 1240 CG ASN A 77 -37.155 25.066 -9.948 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -36.419 26.031 -10.155 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -38.079 25.072 -8.999 1.00 0.00 N ATOM 0 H ASN A 77 -36.746 21.996 -12.535 1.00 0.00 H new ATOM 0 HA ASN A 77 -37.076 24.893 -12.616 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -38.022 23.321 -10.830 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -36.376 23.099 -10.271 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -38.199 25.896 -8.410 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -38.670 24.253 -8.858 1.00 0.00 H new ATOM 1249 N ASN A 78 -34.661 25.379 -12.959 1.00 0.00 N ATOM 1250 CA ASN A 78 -33.266 25.782 -13.061 1.00 0.00 C ATOM 1251 C ASN A 78 -33.018 27.049 -12.259 1.00 0.00 C ATOM 1252 O ASN A 78 -33.751 28.028 -12.392 1.00 0.00 O ATOM 1253 CB ASN A 78 -32.873 26.001 -14.526 1.00 0.00 C ATOM 1254 CG ASN A 78 -32.863 24.711 -15.321 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -32.562 23.643 -14.792 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -33.192 24.799 -16.598 1.00 0.00 N ATOM 0 H ASN A 78 -35.299 25.917 -13.546 1.00 0.00 H new ATOM 0 HA ASN A 78 -32.650 24.982 -12.651 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -33.570 26.702 -14.985 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -31.885 26.459 -14.570 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -33.202 23.962 -17.181 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -33.436 25.704 -17.001 1.00 0.00 H new ATOM 1263 N LEU A 79 -31.987 27.015 -11.420 1.00 0.00 N ATOM 1264 CA LEU A 79 -31.625 28.160 -10.583 1.00 0.00 C ATOM 1265 C LEU A 79 -31.125 29.334 -11.428 1.00 0.00 C ATOM 1266 O LEU A 79 -31.213 30.492 -11.015 1.00 0.00 O ATOM 1267 CB LEU A 79 -30.579 27.771 -9.524 1.00 0.00 C ATOM 1268 CG LEU A 79 -29.179 27.406 -10.034 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -28.206 27.371 -8.871 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -29.177 26.063 -10.750 1.00 0.00 C ATOM 0 H LEU A 79 -31.382 26.202 -11.300 1.00 0.00 H new ATOM 0 HA LEU A 79 -32.529 28.479 -10.064 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -30.480 28.601 -8.824 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -30.967 26.923 -8.960 1.00 0.00 H new ATOM 0 HG LEU A 79 -28.871 28.167 -10.751 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -27.212 27.111 -9.236 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -28.173 28.351 -8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -28.532 26.626 -8.146 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -28.169 25.837 -11.097 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -29.507 25.284 -10.063 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -29.854 26.105 -11.603 1.00 0.00 H new ATOM 1282 N LEU A 80 -30.623 29.031 -12.619 1.00 0.00 N ATOM 1283 CA LEU A 80 -30.209 30.056 -13.574 1.00 0.00 C ATOM 1284 C LEU A 80 -30.580 29.606 -14.981 1.00 0.00 C ATOM 1285 O LEU A 80 -29.935 28.733 -15.554 1.00 0.00 O ATOM 1286 CB LEU A 80 -28.697 30.339 -13.510 1.00 0.00 C ATOM 1287 CG LEU A 80 -28.224 31.272 -12.386 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -27.968 30.503 -11.100 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -26.977 32.033 -12.815 1.00 0.00 C ATOM 0 H LEU A 80 -30.491 28.075 -12.950 1.00 0.00 H new ATOM 0 HA LEU A 80 -30.726 30.980 -13.314 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -28.175 29.388 -13.406 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -28.389 30.769 -14.463 1.00 0.00 H new ATOM 0 HG LEU A 80 -29.020 31.991 -12.189 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -27.634 31.192 -10.324 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -28.888 30.013 -10.780 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -27.198 29.751 -11.273 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -26.655 32.690 -12.007 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -26.181 31.326 -13.047 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -27.201 32.629 -13.699 1.00 0.00 H new ATOM 1301 N GLU A 81 -31.640 30.190 -15.515 1.00 0.00 N ATOM 1302 CA GLU A 81 -32.158 29.803 -16.811 1.00 0.00 C ATOM 1303 C GLU A 81 -31.594 30.697 -17.909 1.00 0.00 C ATOM 1304 O GLU A 81 -31.282 31.863 -17.679 1.00 0.00 O ATOM 1305 CB GLU A 81 -33.685 29.860 -16.784 1.00 0.00 C ATOM 1306 CG GLU A 81 -34.341 29.359 -18.056 1.00 0.00 C ATOM 1307 CD GLU A 81 -33.753 28.046 -18.527 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -33.916 27.028 -17.827 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -33.119 28.026 -19.604 1.00 0.00 O ATOM 0 H GLU A 81 -32.161 30.941 -15.063 1.00 0.00 H new ATOM 0 HA GLU A 81 -31.847 28.782 -17.031 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -34.046 29.268 -15.943 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -33.997 30.889 -16.607 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -35.411 29.235 -17.886 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -34.227 30.108 -18.840 1.00 0.00 H new ATOM 1316 N GLY A 82 -31.474 30.133 -19.104 1.00 0.00 N ATOM 1317 CA GLY A 82 -30.850 30.826 -20.206 1.00 0.00 C ATOM 1318 C GLY A 82 -29.359 30.571 -20.245 1.00 0.00 C ATOM 1319 O GLY A 82 -28.693 30.885 -21.230 1.00 0.00 O ATOM 0 H GLY A 82 -31.804 29.194 -19.328 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -31.301 30.502 -21.144 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -31.035 31.896 -20.117 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.849 29.946 -19.197 1.00 0.00 N ATOM 1324 CA TYR A 83 -27.429 29.659 -19.086 1.00 0.00 C ATOM 1325 C TYR A 83 -27.216 28.168 -18.872 1.00 0.00 C ATOM 1326 O TYR A 83 -28.168 27.431 -18.611 1.00 0.00 O ATOM 1327 CB TYR A 83 -26.815 30.421 -17.908 1.00 0.00 C ATOM 1328 CG TYR A 83 -27.002 31.922 -17.942 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -28.136 32.512 -17.398 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -26.031 32.750 -18.492 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -28.302 33.882 -17.409 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -26.190 34.122 -18.501 1.00 0.00 C ATOM 1333 CZ TYR A 83 -27.325 34.681 -17.958 1.00 0.00 C ATOM 1334 OH TYR A 83 -27.484 36.047 -17.956 1.00 0.00 O ATOM 0 H TYR A 83 -29.404 29.625 -18.404 1.00 0.00 H new ATOM 0 HA TYR A 83 -26.945 29.975 -20.010 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -27.248 30.038 -16.984 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -25.747 30.205 -17.874 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -28.901 31.888 -16.959 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -25.139 32.315 -18.918 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -29.193 34.325 -16.989 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -25.427 34.754 -18.932 1.00 0.00 H new ATOM 0 HH TYR A 83 -26.706 36.467 -18.379 1.00 0.00 H new ATOM 1344 N HIS A 84 -25.974 27.728 -19.020 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.575 26.376 -18.642 1.00 0.00 C ATOM 1346 C HIS A 84 -24.364 26.459 -17.727 1.00 0.00 C ATOM 1347 O HIS A 84 -23.535 27.363 -17.873 1.00 0.00 O ATOM 1348 CB HIS A 84 -25.201 25.511 -19.854 1.00 0.00 C ATOM 1349 CG HIS A 84 -26.318 25.178 -20.795 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -26.308 24.074 -21.623 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -27.436 25.868 -21.113 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -27.383 24.147 -22.414 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -28.092 25.222 -22.140 1.00 0.00 N ATOM 0 H HIS A 84 -25.217 28.294 -19.403 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.427 25.912 -18.146 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.421 26.026 -20.415 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.769 24.579 -19.490 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -25.606 23.334 -21.630 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -27.764 26.781 -20.638 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -27.636 23.423 -23.174 1.00 0.00 H new ATOM 1361 N PRO A 85 -24.247 25.534 -16.774 1.00 0.00 N ATOM 1362 CA PRO A 85 -23.083 25.465 -15.903 1.00 0.00 C ATOM 1363 C PRO A 85 -21.863 24.928 -16.642 1.00 0.00 C ATOM 1364 O PRO A 85 -21.986 24.096 -17.542 1.00 0.00 O ATOM 1365 CB PRO A 85 -23.520 24.503 -14.798 1.00 0.00 C ATOM 1366 CG PRO A 85 -24.559 23.639 -15.428 1.00 0.00 C ATOM 1367 CD PRO A 85 -25.235 24.482 -16.477 1.00 0.00 C ATOM 0 HA PRO A 85 -22.784 26.443 -15.526 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -22.680 23.910 -14.436 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -23.922 25.043 -13.941 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -24.108 22.752 -15.874 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -25.278 23.292 -14.686 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -25.476 23.898 -17.365 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -26.170 24.904 -16.109 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.695 25.428 -16.284 1.00 0.00 N ATOM 1376 CA LYS A 86 -19.456 24.957 -16.874 1.00 0.00 C ATOM 1377 C LYS A 86 -18.365 24.902 -15.821 1.00 0.00 C ATOM 1378 O LYS A 86 -18.369 25.679 -14.865 1.00 0.00 O ATOM 1379 CB LYS A 86 -19.012 25.863 -18.027 1.00 0.00 C ATOM 1380 CG LYS A 86 -18.721 27.298 -17.606 1.00 0.00 C ATOM 1381 CD LYS A 86 -18.063 28.094 -18.721 1.00 0.00 C ATOM 1382 CE LYS A 86 -16.739 27.472 -19.132 1.00 0.00 C ATOM 1383 NZ LYS A 86 -16.021 28.298 -20.133 1.00 0.00 N ATOM 0 H LYS A 86 -20.578 26.162 -15.586 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.632 23.957 -17.270 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -18.118 25.440 -18.485 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -19.789 25.869 -18.791 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.650 27.785 -17.312 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.072 27.295 -16.730 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.730 28.139 -19.582 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.899 29.120 -18.391 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -16.110 27.343 -18.251 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.918 26.479 -19.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.124 27.836 -20.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.609 28.400 -20.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.826 29.238 -19.732 1.00 0.00 H new ATOM 1397 N LEU A 87 -17.444 23.976 -15.996 1.00 0.00 N ATOM 1398 CA LEU A 87 -16.316 23.851 -15.094 1.00 0.00 C ATOM 1399 C LEU A 87 -15.220 24.823 -15.493 1.00 0.00 C ATOM 1400 O LEU A 87 -14.920 24.978 -16.675 1.00 0.00 O ATOM 1401 CB LEU A 87 -15.775 22.422 -15.110 1.00 0.00 C ATOM 1402 CG LEU A 87 -16.762 21.354 -14.652 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -16.151 19.969 -14.787 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -17.194 21.620 -13.217 1.00 0.00 C ATOM 0 H LEU A 87 -17.454 23.297 -16.757 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.652 24.086 -14.084 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.450 22.184 -16.123 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.892 22.377 -14.472 1.00 0.00 H new ATOM 0 HG LEU A 87 -17.645 21.396 -15.290 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -16.870 19.220 -14.455 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -15.891 19.786 -15.830 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.253 19.906 -14.173 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -17.899 20.851 -12.901 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -16.321 21.602 -12.565 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -17.672 22.598 -13.156 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.651 25.499 -14.512 1.00 0.00 N ATOM 1417 CA VAL A 88 -13.529 26.393 -14.746 1.00 0.00 C ATOM 1418 C VAL A 88 -12.457 26.144 -13.708 1.00 0.00 C ATOM 1419 O VAL A 88 -12.758 25.725 -12.591 1.00 0.00 O ATOM 1420 CB VAL A 88 -13.941 27.884 -14.682 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -15.013 28.199 -15.708 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -14.419 28.255 -13.284 1.00 0.00 C ATOM 0 H VAL A 88 -14.949 25.446 -13.538 1.00 0.00 H new ATOM 0 HA VAL A 88 -13.157 26.186 -15.749 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.060 28.482 -14.916 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.283 29.253 -15.640 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.634 27.985 -16.707 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.893 27.586 -15.515 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.703 29.307 -13.264 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -15.280 27.642 -13.019 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.616 28.082 -12.567 1.00 0.00 H new ATOM 1432 N VAL A 89 -11.210 26.378 -14.060 1.00 0.00 N ATOM 1433 CA VAL A 89 -10.149 26.311 -13.078 1.00 0.00 C ATOM 1434 C VAL A 89 -9.622 27.707 -12.806 1.00 0.00 C ATOM 1435 O VAL A 89 -9.024 28.344 -13.670 1.00 0.00 O ATOM 1436 CB VAL A 89 -9.003 25.364 -13.499 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -7.948 25.275 -12.409 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -9.554 23.995 -13.815 1.00 0.00 C ATOM 0 H VAL A 89 -10.909 26.613 -15.006 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.571 25.892 -12.164 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.530 25.769 -14.394 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.151 24.603 -12.728 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.534 26.266 -12.222 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.401 24.893 -11.494 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -8.739 23.334 -14.111 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -10.048 23.589 -12.932 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -10.273 24.072 -14.630 1.00 0.00 H new ATOM 1448 N ASN A 90 -9.866 28.173 -11.594 1.00 0.00 N ATOM 1449 CA ASN A 90 -9.486 29.514 -11.179 1.00 0.00 C ATOM 1450 C ASN A 90 -8.334 29.440 -10.192 1.00 0.00 C ATOM 1451 O ASN A 90 -8.527 29.083 -9.028 1.00 0.00 O ATOM 1452 CB ASN A 90 -10.677 30.236 -10.536 1.00 0.00 C ATOM 1453 CG ASN A 90 -11.626 30.852 -11.550 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -11.219 31.251 -12.642 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -12.898 30.948 -11.186 1.00 0.00 N ATOM 0 H ASN A 90 -10.334 27.632 -10.867 1.00 0.00 H new ATOM 0 HA ASN A 90 -9.172 30.076 -12.059 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -11.228 29.530 -9.915 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.305 31.019 -9.875 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.580 31.365 -11.820 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -13.194 30.605 -10.272 1.00 0.00 H new ATOM 1462 N GLY A 91 -7.140 29.757 -10.666 1.00 0.00 N ATOM 1463 CA GLY A 91 -5.963 29.661 -9.833 1.00 0.00 C ATOM 1464 C GLY A 91 -5.610 28.219 -9.534 1.00 0.00 C ATOM 1465 O GLY A 91 -5.104 27.505 -10.399 1.00 0.00 O ATOM 0 H GLY A 91 -6.966 30.080 -11.617 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.123 30.146 -10.331 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.133 30.196 -8.899 1.00 0.00 H new ATOM 1469 N ARG A 92 -5.893 27.789 -8.315 1.00 0.00 N ATOM 1470 CA ARG A 92 -5.646 26.414 -7.903 1.00 0.00 C ATOM 1471 C ARG A 92 -6.957 25.718 -7.542 1.00 0.00 C ATOM 1472 O ARG A 92 -6.957 24.578 -7.078 1.00 0.00 O ATOM 1473 CB ARG A 92 -4.704 26.379 -6.696 1.00 0.00 C ATOM 1474 CG ARG A 92 -3.299 26.889 -6.970 1.00 0.00 C ATOM 1475 CD ARG A 92 -2.504 25.934 -7.847 1.00 0.00 C ATOM 1476 NE ARG A 92 -2.670 26.200 -9.276 1.00 0.00 N ATOM 1477 CZ ARG A 92 -2.100 25.471 -10.237 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -1.424 24.370 -9.925 1.00 0.00 N ATOM 1479 NH2 ARG A 92 -2.217 25.830 -11.508 1.00 0.00 N ATOM 0 H ARG A 92 -6.298 28.377 -7.587 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.181 25.890 -8.738 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.141 26.974 -5.894 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.639 25.353 -6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.356 27.864 -7.455 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.776 27.033 -6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.447 26.007 -7.590 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.814 24.911 -7.635 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.255 26.988 -9.553 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.341 24.082 -8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -0.989 23.813 -10.660 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.745 26.667 -11.755 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.779 25.269 -12.239 1.00 0.00 H new ATOM 1493 N SER A 93 -8.070 26.405 -7.753 1.00 0.00 N ATOM 1494 CA SER A 93 -9.372 25.877 -7.371 1.00 0.00 C ATOM 1495 C SER A 93 -10.311 25.794 -8.568 1.00 0.00 C ATOM 1496 O SER A 93 -10.363 26.705 -9.391 1.00 0.00 O ATOM 1497 CB SER A 93 -9.983 26.753 -6.276 1.00 0.00 C ATOM 1498 OG SER A 93 -9.957 28.123 -6.645 1.00 0.00 O ATOM 0 H SER A 93 -8.098 27.328 -8.186 1.00 0.00 H new ATOM 0 HA SER A 93 -9.232 24.865 -6.990 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.011 26.443 -6.089 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.434 26.613 -5.345 1.00 0.00 H new ATOM 0 HG SER A 93 -9.924 28.198 -7.622 1.00 0.00 H new ATOM 1504 N ILE A 94 -11.050 24.700 -8.655 1.00 0.00 N ATOM 1505 CA ILE A 94 -12.016 24.508 -9.725 1.00 0.00 C ATOM 1506 C ILE A 94 -13.378 25.049 -9.297 1.00 0.00 C ATOM 1507 O ILE A 94 -13.798 24.859 -8.151 1.00 0.00 O ATOM 1508 CB ILE A 94 -12.124 23.012 -10.103 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -10.738 22.469 -10.472 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -13.098 22.817 -11.256 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -10.706 20.979 -10.726 1.00 0.00 C ATOM 0 H ILE A 94 -10.999 23.926 -7.992 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.677 25.056 -10.604 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.504 22.459 -9.244 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.382 22.986 -11.363 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.041 22.705 -9.667 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.159 21.758 -11.506 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.084 23.178 -10.964 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.750 23.375 -12.125 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.691 20.675 -10.981 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.029 20.450 -9.829 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.375 20.736 -11.551 1.00 0.00 H new ATOM 1523 N ASP A 95 -14.055 25.742 -10.201 1.00 0.00 N ATOM 1524 CA ASP A 95 -15.328 26.369 -9.888 1.00 0.00 C ATOM 1525 C ASP A 95 -16.345 26.102 -10.986 1.00 0.00 C ATOM 1526 O ASP A 95 -16.036 25.453 -11.990 1.00 0.00 O ATOM 1527 CB ASP A 95 -15.166 27.877 -9.702 1.00 0.00 C ATOM 1528 CG ASP A 95 -16.172 28.426 -8.711 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -15.893 28.389 -7.494 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -17.256 28.868 -9.143 1.00 0.00 O ATOM 0 H ASP A 95 -13.741 25.884 -11.161 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.686 25.935 -8.955 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.156 28.095 -9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.289 28.378 -10.662 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.552 26.610 -10.791 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.641 26.398 -11.729 1.00 0.00 C ATOM 1537 C ILE A 96 -19.196 27.731 -12.205 1.00 0.00 C ATOM 1538 O ILE A 96 -19.822 28.467 -11.439 1.00 0.00 O ATOM 1539 CB ILE A 96 -19.779 25.584 -11.086 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -19.224 24.295 -10.489 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -20.857 25.272 -12.114 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -20.195 23.591 -9.580 1.00 0.00 C ATOM 0 H ILE A 96 -17.803 27.178 -9.982 1.00 0.00 H new ATOM 0 HA ILE A 96 -18.241 25.840 -12.576 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.227 26.177 -10.289 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -18.941 23.621 -11.298 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.316 24.523 -9.931 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.654 24.696 -11.643 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -21.266 26.203 -12.507 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -20.425 24.693 -12.930 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.736 22.683 -9.190 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.459 24.248 -8.751 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -21.094 23.332 -10.139 1.00 0.00 H new ATOM 1554 N GLU A 97 -18.958 28.035 -13.467 1.00 0.00 N ATOM 1555 CA GLU A 97 -19.441 29.267 -14.065 1.00 0.00 C ATOM 1556 C GLU A 97 -20.655 28.989 -14.932 1.00 0.00 C ATOM 1557 O GLU A 97 -21.090 27.844 -15.060 1.00 0.00 O ATOM 1558 CB GLU A 97 -18.336 29.911 -14.902 1.00 0.00 C ATOM 1559 CG GLU A 97 -17.160 30.408 -14.080 1.00 0.00 C ATOM 1560 CD GLU A 97 -17.442 31.726 -13.395 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -18.171 31.736 -12.385 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -16.934 32.762 -13.871 1.00 0.00 O ATOM 0 H GLU A 97 -18.428 27.440 -14.104 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.729 29.954 -13.269 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.977 29.187 -15.633 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.756 30.747 -15.461 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -16.905 29.660 -13.329 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.290 30.519 -14.728 1.00 0.00 H new ATOM 1569 N TYR A 98 -21.197 30.034 -15.525 1.00 0.00 N ATOM 1570 CA TYR A 98 -22.345 29.903 -16.400 1.00 0.00 C ATOM 1571 C TYR A 98 -22.082 30.580 -17.728 1.00 0.00 C ATOM 1572 O TYR A 98 -21.579 31.703 -17.771 1.00 0.00 O ATOM 1573 CB TYR A 98 -23.590 30.507 -15.752 1.00 0.00 C ATOM 1574 CG TYR A 98 -24.360 29.538 -14.885 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -24.034 29.356 -13.548 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -25.417 28.803 -15.410 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -24.738 28.471 -12.758 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -26.127 27.915 -14.625 1.00 0.00 C ATOM 1579 CZ TYR A 98 -25.783 27.754 -13.302 1.00 0.00 C ATOM 1580 OH TYR A 98 -26.486 26.874 -12.516 1.00 0.00 O ATOM 0 H TYR A 98 -20.858 30.990 -15.416 1.00 0.00 H new ATOM 0 HA TYR A 98 -22.517 28.840 -16.571 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -23.293 31.364 -15.147 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -24.249 30.882 -16.535 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -23.216 29.916 -13.119 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -25.687 28.928 -16.448 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -24.472 28.340 -11.719 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -26.946 27.351 -15.046 1.00 0.00 H new ATOM 0 HH TYR A 98 -27.190 26.450 -13.049 1.00 0.00 H new ATOM 1590 N TYR A 99 -22.405 29.890 -18.807 1.00 0.00 N ATOM 1591 CA TYR A 99 -22.303 30.476 -20.129 1.00 0.00 C ATOM 1592 C TYR A 99 -23.681 30.574 -20.762 1.00 0.00 C ATOM 1593 O TYR A 99 -24.522 29.685 -20.590 1.00 0.00 O ATOM 1594 CB TYR A 99 -21.340 29.686 -21.030 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.702 28.230 -21.254 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -21.249 27.244 -20.388 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -22.469 27.838 -22.346 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -21.554 25.912 -20.596 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -22.779 26.507 -22.564 1.00 0.00 C ATOM 1600 CZ TYR A 99 -22.316 25.547 -21.683 1.00 0.00 C ATOM 1601 OH TYR A 99 -22.615 24.218 -21.887 1.00 0.00 O ATOM 0 H TYR A 99 -22.739 28.926 -18.793 1.00 0.00 H new ATOM 0 HA TYR A 99 -21.891 31.479 -20.022 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -21.287 30.182 -21.999 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -20.342 29.731 -20.594 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -20.647 27.523 -19.536 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -22.829 28.586 -23.037 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -21.196 25.160 -19.908 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -23.378 26.220 -23.416 1.00 0.00 H new ATOM 0 HH TYR A 99 -23.161 24.126 -22.696 1.00 0.00 H new ATOM 1611 N GLU A 100 -23.910 31.678 -21.455 1.00 0.00 N ATOM 1612 CA GLU A 100 -25.169 31.914 -22.141 1.00 0.00 C ATOM 1613 C GLU A 100 -25.470 30.794 -23.122 1.00 0.00 C ATOM 1614 O GLU A 100 -24.627 30.437 -23.945 1.00 0.00 O ATOM 1615 CB GLU A 100 -25.112 33.253 -22.875 1.00 0.00 C ATOM 1616 CG GLU A 100 -25.210 34.449 -21.946 1.00 0.00 C ATOM 1617 CD GLU A 100 -26.621 34.994 -21.852 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -27.570 34.197 -21.762 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -26.789 36.234 -21.911 1.00 0.00 O ATOM 0 H GLU A 100 -23.231 32.432 -21.557 1.00 0.00 H new ATOM 0 HA GLU A 100 -25.968 31.941 -21.400 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -24.180 33.313 -23.436 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -25.924 33.297 -23.600 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -24.867 34.162 -20.952 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -24.543 35.235 -22.299 1.00 0.00 H new ATOM 1626 N CYS A 101 -26.658 30.219 -23.001 1.00 0.00 N ATOM 1627 CA CYS A 101 -27.108 29.193 -23.935 1.00 0.00 C ATOM 1628 C CYS A 101 -26.975 29.706 -25.373 1.00 0.00 C ATOM 1629 O CYS A 101 -27.569 30.723 -25.730 1.00 0.00 O ATOM 1630 CB CYS A 101 -28.565 28.823 -23.633 1.00 0.00 C ATOM 1631 SG CYS A 101 -29.229 27.427 -24.603 1.00 0.00 S ATOM 0 H CYS A 101 -27.328 30.444 -22.266 1.00 0.00 H new ATOM 0 HA CYS A 101 -26.488 28.303 -23.822 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -28.650 28.581 -22.574 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -29.190 29.698 -23.811 1.00 0.00 H new ATOM 0 HG CYS A 101 -28.972 26.311 -23.988 1.00 0.00 H new ATOM 1636 N PRO A 102 -26.212 28.988 -26.218 1.00 0.00 N ATOM 1637 CA PRO A 102 -25.924 29.404 -27.605 1.00 0.00 C ATOM 1638 C PRO A 102 -27.170 29.486 -28.486 1.00 0.00 C ATOM 1639 O PRO A 102 -27.090 29.830 -29.665 1.00 0.00 O ATOM 1640 CB PRO A 102 -24.973 28.321 -28.126 1.00 0.00 C ATOM 1641 CG PRO A 102 -25.141 27.163 -27.204 1.00 0.00 C ATOM 1642 CD PRO A 102 -25.532 27.731 -25.872 1.00 0.00 C ATOM 0 HA PRO A 102 -25.505 30.410 -27.630 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -25.218 28.044 -29.151 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -23.942 28.673 -28.129 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -25.906 26.481 -27.574 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -24.216 26.592 -27.126 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -26.191 27.056 -25.326 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -24.661 27.907 -25.240 1.00 0.00 H new ATOM 1650 N VAL A 103 -28.315 29.159 -27.913 1.00 0.00 N ATOM 1651 CA VAL A 103 -29.583 29.288 -28.610 1.00 0.00 C ATOM 1652 C VAL A 103 -30.061 30.742 -28.584 1.00 0.00 C ATOM 1653 O VAL A 103 -30.499 31.278 -29.599 1.00 0.00 O ATOM 1654 CB VAL A 103 -30.659 28.367 -27.987 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -31.978 28.478 -28.733 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -30.180 26.924 -27.979 1.00 0.00 C ATOM 0 H VAL A 103 -28.393 28.800 -26.961 1.00 0.00 H new ATOM 0 HA VAL A 103 -29.428 28.982 -29.645 1.00 0.00 H new ATOM 0 HB VAL A 103 -30.824 28.692 -26.960 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -32.714 27.819 -28.272 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -32.335 29.507 -28.690 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -31.833 28.188 -29.774 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -30.948 26.288 -27.538 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -29.984 26.600 -29.001 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -29.265 26.848 -27.392 1.00 0.00 H new ATOM 1666 N LYS A 104 -29.958 31.383 -27.420 1.00 0.00 N ATOM 1667 CA LYS A 104 -30.411 32.763 -27.270 1.00 0.00 C ATOM 1668 C LYS A 104 -29.350 33.740 -27.765 1.00 0.00 C ATOM 1669 O LYS A 104 -29.650 34.889 -28.082 1.00 0.00 O ATOM 1670 CB LYS A 104 -30.786 33.058 -25.812 1.00 0.00 C ATOM 1671 CG LYS A 104 -29.673 32.800 -24.807 1.00 0.00 C ATOM 1672 CD LYS A 104 -30.174 32.950 -23.377 1.00 0.00 C ATOM 1673 CE LYS A 104 -30.622 34.373 -23.074 1.00 0.00 C ATOM 1674 NZ LYS A 104 -29.496 35.341 -23.151 1.00 0.00 N ATOM 0 H LYS A 104 -29.567 30.971 -26.573 1.00 0.00 H new ATOM 0 HA LYS A 104 -31.303 32.894 -27.883 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -31.094 34.101 -25.734 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -31.649 32.450 -25.542 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -29.275 31.796 -24.952 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -28.853 33.496 -24.982 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -31.006 32.265 -23.211 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -29.383 32.664 -22.684 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -31.400 34.666 -23.779 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -31.064 34.410 -22.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -29.581 36.034 -22.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -28.594 34.832 -23.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -29.525 35.835 -24.066 1.00 0.00 H new