USER MOD reduce.3.24.130724 H: found=0, std=0, add=889, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 889 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 54 THR OG1 : rot 71:sc= 0.383 USER MOD Set 1.2: A 84 GLN : amide:sc= 0 X(o=0.38,f=0.29) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.14 (180deg=-0.298) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0485 X(o=-0.048,f=-0.38) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 MET CE :methyl -123:sc= 0 (180deg=-0.525) USER MOD Single : A 14 SER OG : rot 47:sc= 0.00234 USER MOD Single : A 16 ASN : amide:sc= -0.692 K(o=-0.69,f=-0.11) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 150:sc= -0.0409 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -175:sc= 1.12 USER MOD Single : A 48 THR OG1 : rot -34:sc= 1.16 USER MOD Single : A 52 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0119) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -4.18! C(o=-4.2!,f=-3.3!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -13.7! C(o=-14!,f=-14!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -5.71! C(o=-5.7!,f=-7.9!) USER MOD Single : A 76 THR OG1 : rot -174:sc= 0.271! USER MOD Single : A 77 THR OG1 : rot 180:sc=-0.00877 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -1.27 K(o=-1.3,f=-0.25) USER MOD Single : A 86 ASN : amide:sc= -2.02! C(o=-2!,f=-6.6!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -33:sc= 0.123 USER MOD Single : A 92 LYS NZ :NH3+ -163:sc= 0.143 (180deg=0.066) USER MOD Single : A 97 SER OG : rot 40:sc= 0.0904 USER MOD Single : A 104 SER OG : rot -122:sc= 0.095 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.05) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0747 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0408 USER MOD ----------------------------------------------------------------- ATOM 193 N MET A 1 10.933 -2.361 14.257 1.00 0.49 N ATOM 194 CA MET A 1 9.534 -2.862 14.250 1.00 0.49 C ATOM 195 C MET A 1 8.911 -2.728 12.866 1.00 0.45 C ATOM 196 O MET A 1 7.690 -2.795 12.714 1.00 0.44 O ATOM 197 CB MET A 1 8.695 -2.094 15.274 1.00 0.50 C ATOM 198 CG MET A 1 9.096 -2.365 16.714 1.00 0.54 C ATOM 199 SD MET A 1 7.682 -2.729 17.772 1.00 0.57 S ATOM 200 CE MET A 1 8.447 -3.762 19.019 1.00 0.61 C ATOM 0 H1 MET A 1 11.294 -2.353 15.232 1.00 0.49 H new ATOM 0 H2 MET A 1 11.527 -2.983 13.673 1.00 0.49 H new ATOM 0 H3 MET A 1 10.958 -1.396 13.871 1.00 0.49 H new ATOM 0 HA MET A 1 9.552 -3.919 14.517 1.00 0.49 H new ATOM 0 HB2 MET A 1 8.783 -1.026 15.076 1.00 0.50 H new ATOM 0 HB3 MET A 1 7.645 -2.357 15.142 1.00 0.50 H new ATOM 0 HG2 MET A 1 9.791 -3.204 16.742 1.00 0.54 H new ATOM 0 HG3 MET A 1 9.627 -1.498 17.109 1.00 0.54 H new ATOM 0 HE1 MET A 1 7.697 -4.068 19.748 1.00 0.61 H new ATOM 0 HE2 MET A 1 8.876 -4.646 18.546 1.00 0.61 H new ATOM 0 HE3 MET A 1 9.235 -3.202 19.523 1.00 0.61 H new ATOM 212 N GLU A 2 9.755 -2.537 11.858 1.00 0.43 N ATOM 213 CA GLU A 2 9.288 -2.393 10.485 1.00 0.40 C ATOM 214 C GLU A 2 9.849 -3.499 9.598 1.00 0.40 C ATOM 215 O GLU A 2 11.056 -3.743 9.582 1.00 0.42 O ATOM 216 CB GLU A 2 9.687 -1.026 9.924 1.00 0.38 C ATOM 217 CG GLU A 2 11.068 -0.566 10.364 1.00 0.39 C ATOM 218 CD GLU A 2 11.018 0.656 11.258 1.00 0.40 C ATOM 219 OE1 GLU A 2 10.314 1.624 10.904 1.00 0.38 O ATOM 220 OE2 GLU A 2 11.684 0.646 12.316 1.00 0.42 O ATOM 0 H GLU A 2 10.767 -2.478 11.967 1.00 0.43 H new ATOM 0 HA GLU A 2 8.201 -2.472 10.492 1.00 0.40 H new ATOM 0 HB2 GLU A 2 9.657 -1.067 8.835 1.00 0.38 H new ATOM 0 HB3 GLU A 2 8.950 -0.286 10.236 1.00 0.38 H new ATOM 0 HG2 GLU A 2 11.566 -1.378 10.893 1.00 0.39 H new ATOM 0 HG3 GLU A 2 11.670 -0.343 9.483 1.00 0.39 H new ATOM 227 N GLU A 3 8.965 -4.166 8.862 1.00 0.39 N ATOM 228 CA GLU A 3 9.373 -5.246 7.971 1.00 0.40 C ATOM 229 C GLU A 3 9.564 -4.741 6.543 1.00 0.37 C ATOM 230 O GLU A 3 9.225 -3.600 6.227 1.00 0.35 O ATOM 231 CB GLU A 3 8.342 -6.375 7.998 1.00 0.41 C ATOM 232 CG GLU A 3 7.095 -6.090 7.175 1.00 0.38 C ATOM 233 CD GLU A 3 5.876 -6.834 7.687 1.00 0.39 C ATOM 234 OE1 GLU A 3 5.691 -8.007 7.298 1.00 0.41 O ATOM 235 OE2 GLU A 3 5.110 -6.245 8.477 1.00 0.39 O ATOM 0 H GLU A 3 7.963 -3.978 8.865 1.00 0.39 H new ATOM 0 HA GLU A 3 10.330 -5.630 8.325 1.00 0.40 H new ATOM 0 HB2 GLU A 3 8.808 -7.289 7.629 1.00 0.41 H new ATOM 0 HB3 GLU A 3 8.049 -6.562 9.031 1.00 0.41 H new ATOM 0 HG2 GLU A 3 6.894 -5.019 7.186 1.00 0.38 H new ATOM 0 HG3 GLU A 3 7.277 -6.369 6.137 1.00 0.38 H new ATOM 242 N LYS A 4 10.111 -5.598 5.685 1.00 0.39 N ATOM 243 CA LYS A 4 10.351 -5.247 4.289 1.00 0.37 C ATOM 244 C LYS A 4 9.225 -5.758 3.396 1.00 0.36 C ATOM 245 O LYS A 4 8.332 -6.473 3.850 1.00 0.37 O ATOM 246 CB LYS A 4 11.690 -5.824 3.826 1.00 0.41 C ATOM 247 CG LYS A 4 11.995 -7.201 4.391 1.00 0.44 C ATOM 248 CD LYS A 4 12.801 -7.113 5.677 1.00 0.46 C ATOM 249 CE LYS A 4 14.287 -7.307 5.419 1.00 0.49 C ATOM 250 NZ LYS A 4 14.945 -8.072 6.513 1.00 0.52 N ATOM 0 H LYS A 4 10.397 -6.545 5.934 1.00 0.39 H new ATOM 0 HA LYS A 4 10.382 -4.160 4.211 1.00 0.37 H new ATOM 0 HB2 LYS A 4 11.694 -5.880 2.737 1.00 0.41 H new ATOM 0 HB3 LYS A 4 12.488 -5.139 4.113 1.00 0.41 H new ATOM 0 HG2 LYS A 4 11.062 -7.731 4.581 1.00 0.44 H new ATOM 0 HG3 LYS A 4 12.548 -7.783 3.654 1.00 0.44 H new ATOM 0 HD2 LYS A 4 12.636 -6.143 6.145 1.00 0.46 H new ATOM 0 HD3 LYS A 4 12.451 -7.870 6.379 1.00 0.46 H new ATOM 0 HE2 LYS A 4 14.426 -7.832 4.474 1.00 0.49 H new ATOM 0 HE3 LYS A 4 14.768 -6.334 5.316 1.00 0.49 H new ATOM 0 HZ1 LYS A 4 15.957 -8.183 6.299 1.00 0.52 H new ATOM 0 HZ2 LYS A 4 14.835 -7.558 7.411 1.00 0.52 H new ATOM 0 HZ3 LYS A 4 14.504 -9.010 6.595 1.00 0.52 H new ATOM 264 N VAL A 5 9.277 -5.382 2.121 1.00 0.35 N ATOM 265 CA VAL A 5 8.266 -5.798 1.154 1.00 0.34 C ATOM 266 C VAL A 5 8.432 -7.269 0.787 1.00 0.37 C ATOM 267 O VAL A 5 7.449 -7.983 0.589 1.00 0.37 O ATOM 268 CB VAL A 5 8.340 -4.941 -0.128 1.00 0.32 C ATOM 269 CG1 VAL A 5 7.287 -5.378 -1.133 1.00 0.31 C ATOM 270 CG2 VAL A 5 8.181 -3.465 0.205 1.00 0.29 C ATOM 0 H VAL A 5 10.010 -4.789 1.733 1.00 0.35 H new ATOM 0 HA VAL A 5 7.292 -5.655 1.622 1.00 0.34 H new ATOM 0 HB VAL A 5 9.321 -5.089 -0.578 1.00 0.32 H new ATOM 0 HG11 VAL A 5 7.359 -4.760 -2.028 1.00 0.31 H new ATOM 0 HG12 VAL A 5 7.450 -6.422 -1.400 1.00 0.31 H new ATOM 0 HG13 VAL A 5 6.296 -5.266 -0.693 1.00 0.31 H new ATOM 0 HG21 VAL A 5 8.236 -2.877 -0.711 1.00 0.29 H new ATOM 0 HG22 VAL A 5 7.215 -3.302 0.683 1.00 0.29 H new ATOM 0 HG23 VAL A 5 8.978 -3.157 0.882 1.00 0.29 H new ATOM 280 N GLY A 6 9.681 -7.717 0.702 1.00 0.41 N ATOM 281 CA GLY A 6 9.952 -9.100 0.356 1.00 0.44 C ATOM 282 C GLY A 6 9.721 -10.050 1.515 1.00 0.46 C ATOM 283 O GLY A 6 9.977 -11.250 1.403 1.00 0.50 O ATOM 0 H GLY A 6 10.510 -7.146 0.867 1.00 0.41 H new ATOM 0 HA2 GLY A 6 9.316 -9.392 -0.480 1.00 0.44 H new ATOM 0 HA3 GLY A 6 10.984 -9.190 0.018 1.00 0.44 H new ATOM 287 N ASN A 7 9.239 -9.515 2.633 1.00 0.44 N ATOM 288 CA ASN A 7 8.978 -10.325 3.818 1.00 0.47 C ATOM 289 C ASN A 7 7.562 -10.103 4.341 1.00 0.44 C ATOM 290 O ASN A 7 7.159 -10.708 5.335 1.00 0.46 O ATOM 291 CB ASN A 7 9.987 -9.992 4.912 1.00 0.48 C ATOM 292 CG ASN A 7 10.237 -11.156 5.851 1.00 0.52 C ATOM 293 OD1 ASN A 7 10.409 -12.295 5.416 1.00 0.54 O ATOM 294 ND2 ASN A 7 10.256 -10.872 7.149 1.00 0.52 N ATOM 0 H ASN A 7 9.021 -8.525 2.743 1.00 0.44 H new ATOM 0 HA ASN A 7 9.078 -11.373 3.535 1.00 0.47 H new ATOM 0 HB2 ASN A 7 10.929 -9.692 4.453 1.00 0.48 H new ATOM 0 HB3 ASN A 7 9.626 -9.138 5.486 1.00 0.48 H new ATOM 0 HD21 ASN A 7 10.418 -11.613 7.831 1.00 0.52 H new ATOM 0 HD22 ASN A 7 10.109 -9.913 7.463 1.00 0.52 H new ATOM 301 N LEU A 8 6.809 -9.234 3.672 1.00 0.41 N ATOM 302 CA LEU A 8 5.443 -8.940 4.083 1.00 0.39 C ATOM 303 C LEU A 8 4.495 -10.065 3.682 1.00 0.40 C ATOM 304 O LEU A 8 4.777 -10.833 2.760 1.00 0.42 O ATOM 305 CB LEU A 8 4.972 -7.616 3.470 1.00 0.35 C ATOM 306 CG LEU A 8 4.212 -7.741 2.148 1.00 0.33 C ATOM 307 CD1 LEU A 8 2.711 -7.711 2.390 1.00 0.32 C ATOM 308 CD2 LEU A 8 4.616 -6.638 1.190 1.00 0.30 C ATOM 0 H LEU A 8 7.122 -8.724 2.846 1.00 0.41 H new ATOM 0 HA LEU A 8 5.433 -8.853 5.169 1.00 0.39 H new ATOM 0 HB2 LEU A 8 4.332 -7.108 4.191 1.00 0.35 H new ATOM 0 HB3 LEU A 8 5.842 -6.978 3.311 1.00 0.35 H new ATOM 0 HG LEU A 8 4.471 -8.699 1.696 1.00 0.33 H new ATOM 0 HD11 LEU A 8 2.187 -7.801 1.438 1.00 0.32 H new ATOM 0 HD12 LEU A 8 2.430 -8.541 3.039 1.00 0.32 H new ATOM 0 HD13 LEU A 8 2.438 -6.770 2.867 1.00 0.32 H new ATOM 0 HD21 LEU A 8 4.063 -6.746 0.257 1.00 0.30 H new ATOM 0 HD22 LEU A 8 4.390 -5.669 1.635 1.00 0.30 H new ATOM 0 HD23 LEU A 8 5.685 -6.705 0.988 1.00 0.30 H new ATOM 320 N LYS A 9 3.372 -10.152 4.382 1.00 0.40 N ATOM 321 CA LYS A 9 2.367 -11.166 4.101 1.00 0.42 C ATOM 322 C LYS A 9 0.966 -10.569 4.214 1.00 0.40 C ATOM 323 O LYS A 9 0.756 -9.612 4.959 1.00 0.39 O ATOM 324 CB LYS A 9 2.529 -12.355 5.044 1.00 0.46 C ATOM 325 CG LYS A 9 2.037 -12.092 6.459 1.00 0.47 C ATOM 326 CD LYS A 9 1.005 -13.122 6.888 1.00 0.50 C ATOM 327 CE LYS A 9 1.645 -14.255 7.674 1.00 0.54 C ATOM 328 NZ LYS A 9 1.288 -14.204 9.118 1.00 0.56 N ATOM 0 H LYS A 9 3.134 -9.528 5.153 1.00 0.40 H new ATOM 0 HA LYS A 9 2.506 -11.522 3.080 1.00 0.42 H new ATOM 0 HB2 LYS A 9 1.987 -13.207 4.634 1.00 0.46 H new ATOM 0 HB3 LYS A 9 3.582 -12.635 5.082 1.00 0.46 H new ATOM 0 HG2 LYS A 9 2.881 -12.111 7.149 1.00 0.47 H new ATOM 0 HG3 LYS A 9 1.602 -11.094 6.515 1.00 0.47 H new ATOM 0 HD2 LYS A 9 0.240 -12.641 7.498 1.00 0.50 H new ATOM 0 HD3 LYS A 9 0.504 -13.525 6.008 1.00 0.50 H new ATOM 0 HE2 LYS A 9 1.328 -15.210 7.256 1.00 0.54 H new ATOM 0 HE3 LYS A 9 2.728 -14.204 7.567 1.00 0.54 H new ATOM 0 HZ1 LYS A 9 1.745 -14.994 9.617 1.00 0.56 H new ATOM 0 HZ2 LYS A 9 1.613 -13.304 9.524 1.00 0.56 H new ATOM 0 HZ3 LYS A 9 0.256 -14.279 9.223 1.00 0.56 H new ATOM 342 N PRO A 10 -0.014 -11.119 3.474 1.00 0.40 N ATOM 343 CA PRO A 10 -1.387 -10.615 3.496 1.00 0.39 C ATOM 344 C PRO A 10 -2.163 -11.060 4.734 1.00 0.41 C ATOM 345 O PRO A 10 -1.722 -11.947 5.466 1.00 0.45 O ATOM 346 CB PRO A 10 -2.000 -11.229 2.239 1.00 0.38 C ATOM 347 CG PRO A 10 -1.259 -12.507 2.045 1.00 0.42 C ATOM 348 CD PRO A 10 0.137 -12.274 2.566 1.00 0.42 C ATOM 0 HA PRO A 10 -1.418 -9.526 3.525 1.00 0.39 H new ATOM 0 HB2 PRO A 10 -3.068 -11.405 2.364 1.00 0.38 H new ATOM 0 HB3 PRO A 10 -1.885 -10.569 1.379 1.00 0.38 H new ATOM 0 HG2 PRO A 10 -1.743 -13.322 2.583 1.00 0.42 H new ATOM 0 HG3 PRO A 10 -1.239 -12.788 0.992 1.00 0.42 H new ATOM 0 HD2 PRO A 10 0.519 -13.149 3.092 1.00 0.42 H new ATOM 0 HD3 PRO A 10 0.835 -12.058 1.757 1.00 0.42 H new ATOM 356 N ASN A 11 -3.311 -10.418 4.964 1.00 0.41 N ATOM 357 CA ASN A 11 -4.182 -10.744 6.092 1.00 0.44 C ATOM 358 C ASN A 11 -3.586 -10.286 7.420 1.00 0.45 C ATOM 359 O ASN A 11 -3.850 -10.878 8.466 1.00 0.49 O ATOM 360 CB ASN A 11 -4.474 -12.250 6.136 1.00 0.47 C ATOM 361 CG ASN A 11 -5.818 -12.597 5.526 1.00 0.47 C ATOM 362 OD1 ASN A 11 -6.811 -12.763 6.233 1.00 0.50 O ATOM 363 ND2 ASN A 11 -5.857 -12.707 4.200 1.00 0.45 N ATOM 0 H ASN A 11 -3.660 -9.661 4.376 1.00 0.41 H new ATOM 0 HA ASN A 11 -5.118 -10.205 5.942 1.00 0.44 H new ATOM 0 HB2 ASN A 11 -3.688 -12.785 5.604 1.00 0.47 H new ATOM 0 HB3 ASN A 11 -4.449 -12.592 7.171 1.00 0.47 H new ATOM 0 HD21 ASN A 11 -6.734 -12.937 3.733 1.00 0.45 H new ATOM 0 HD22 ASN A 11 -5.010 -12.561 3.651 1.00 0.45 H new ATOM 370 N MET A 12 -2.782 -9.227 7.371 1.00 0.43 N ATOM 371 CA MET A 12 -2.167 -8.682 8.575 1.00 0.44 C ATOM 372 C MET A 12 -2.790 -7.340 8.934 1.00 0.43 C ATOM 373 O MET A 12 -2.821 -6.424 8.113 1.00 0.40 O ATOM 374 CB MET A 12 -0.659 -8.521 8.384 1.00 0.43 C ATOM 375 CG MET A 12 0.073 -9.839 8.199 1.00 0.45 C ATOM 376 SD MET A 12 1.653 -9.881 9.066 1.00 0.47 S ATOM 377 CE MET A 12 2.631 -8.788 8.040 1.00 0.43 C ATOM 0 H MET A 12 -2.542 -8.731 6.512 1.00 0.43 H new ATOM 0 HA MET A 12 -2.345 -9.382 9.392 1.00 0.44 H new ATOM 0 HB2 MET A 12 -0.476 -7.888 7.515 1.00 0.43 H new ATOM 0 HB3 MET A 12 -0.245 -8.003 9.249 1.00 0.43 H new ATOM 0 HG2 MET A 12 -0.556 -10.653 8.558 1.00 0.45 H new ATOM 0 HG3 MET A 12 0.241 -10.011 7.136 1.00 0.45 H new ATOM 0 HE1 MET A 12 3.516 -9.316 7.686 1.00 0.43 H new ATOM 0 HE2 MET A 12 2.037 -8.463 7.186 1.00 0.43 H new ATOM 0 HE3 MET A 12 2.936 -7.918 8.622 1.00 0.43 H new ATOM 387 N GLU A 13 -3.290 -7.230 10.160 1.00 0.47 N ATOM 388 CA GLU A 13 -3.917 -5.997 10.618 1.00 0.47 C ATOM 389 C GLU A 13 -2.869 -5.007 11.114 1.00 0.46 C ATOM 390 O GLU A 13 -3.193 -4.026 11.786 1.00 0.48 O ATOM 391 CB GLU A 13 -4.929 -6.289 11.729 1.00 0.51 C ATOM 392 CG GLU A 13 -5.488 -7.703 11.694 1.00 0.53 C ATOM 393 CD GLU A 13 -6.902 -7.784 12.235 1.00 0.56 C ATOM 394 OE1 GLU A 13 -7.699 -6.866 11.953 1.00 0.55 O ATOM 395 OE2 GLU A 13 -7.209 -8.766 12.942 1.00 0.59 O ATOM 0 H GLU A 13 -3.273 -7.978 10.853 1.00 0.47 H new ATOM 0 HA GLU A 13 -4.441 -5.552 9.772 1.00 0.47 H new ATOM 0 HB2 GLU A 13 -4.453 -6.120 12.695 1.00 0.51 H new ATOM 0 HB3 GLU A 13 -5.754 -5.580 11.652 1.00 0.51 H new ATOM 0 HG2 GLU A 13 -5.474 -8.070 10.668 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -4.842 -8.360 12.276 1.00 0.53 H new ATOM 402 N SER A 14 -1.611 -5.268 10.776 1.00 0.45 N ATOM 403 CA SER A 14 -0.513 -4.401 11.182 1.00 0.44 C ATOM 404 C SER A 14 0.689 -4.600 10.267 1.00 0.41 C ATOM 405 O SER A 14 1.277 -5.681 10.224 1.00 0.42 O ATOM 406 CB SER A 14 -0.119 -4.689 12.631 1.00 0.48 C ATOM 407 OG SER A 14 -0.166 -6.078 12.908 1.00 0.50 O ATOM 0 H SER A 14 -1.327 -6.075 10.221 1.00 0.45 H new ATOM 0 HA SER A 14 -0.845 -3.366 11.104 1.00 0.44 H new ATOM 0 HB2 SER A 14 0.886 -4.312 12.819 1.00 0.48 H new ATOM 0 HB3 SER A 14 -0.790 -4.158 13.306 1.00 0.48 H new ATOM 0 HG SER A 14 0.282 -6.570 12.189 1.00 0.50 H new ATOM 413 N VAL A 15 1.054 -3.550 9.537 1.00 0.38 N ATOM 414 CA VAL A 15 2.188 -3.617 8.619 1.00 0.35 C ATOM 415 C VAL A 15 3.004 -2.328 8.639 1.00 0.34 C ATOM 416 O VAL A 15 2.544 -1.281 8.187 1.00 0.32 O ATOM 417 CB VAL A 15 1.739 -3.889 7.168 1.00 0.32 C ATOM 418 CG1 VAL A 15 2.744 -4.783 6.456 1.00 0.32 C ATOM 419 CG2 VAL A 15 0.349 -4.508 7.127 1.00 0.34 C ATOM 0 H VAL A 15 0.583 -2.645 9.562 1.00 0.38 H new ATOM 0 HA VAL A 15 2.806 -4.446 8.965 1.00 0.35 H new ATOM 0 HB VAL A 15 1.694 -2.933 6.647 1.00 0.32 H new ATOM 0 HG11 VAL A 15 2.410 -4.964 5.434 1.00 0.32 H new ATOM 0 HG12 VAL A 15 3.718 -4.294 6.439 1.00 0.32 H new ATOM 0 HG13 VAL A 15 2.825 -5.733 6.985 1.00 0.32 H new ATOM 0 HG21 VAL A 15 0.061 -4.688 6.091 1.00 0.34 H new ATOM 0 HG22 VAL A 15 0.355 -5.453 7.671 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -0.366 -3.828 7.589 1.00 0.34 H new ATOM 429 N ASN A 16 4.219 -2.421 9.164 1.00 0.35 N ATOM 430 CA ASN A 16 5.124 -1.278 9.232 1.00 0.34 C ATOM 431 C ASN A 16 6.246 -1.456 8.216 1.00 0.33 C ATOM 432 O ASN A 16 6.904 -2.497 8.196 1.00 0.34 O ATOM 433 CB ASN A 16 5.699 -1.147 10.638 1.00 0.38 C ATOM 434 CG ASN A 16 5.414 0.209 11.255 1.00 0.39 C ATOM 435 OD1 ASN A 16 4.800 0.302 12.319 1.00 0.41 O ATOM 436 ND2 ASN A 16 5.863 1.268 10.592 1.00 0.37 N ATOM 0 H ASN A 16 4.604 -3.282 9.552 1.00 0.35 H new ATOM 0 HA ASN A 16 4.572 -0.367 8.998 1.00 0.34 H new ATOM 0 HB2 ASN A 16 5.280 -1.927 11.273 1.00 0.38 H new ATOM 0 HB3 ASN A 16 6.776 -1.308 10.604 1.00 0.38 H new ATOM 0 HD21 ASN A 16 5.704 2.206 10.961 1.00 0.37 H new ATOM 0 HD22 ASN A 16 6.367 1.144 9.714 1.00 0.37 H new ATOM 443 N VAL A 17 6.465 -0.452 7.374 1.00 0.30 N ATOM 444 CA VAL A 17 7.495 -0.556 6.347 1.00 0.29 C ATOM 445 C VAL A 17 7.924 0.811 5.807 1.00 0.27 C ATOM 446 O VAL A 17 7.152 1.766 5.821 1.00 0.26 O ATOM 447 CB VAL A 17 6.978 -1.431 5.185 1.00 0.27 C ATOM 448 CG1 VAL A 17 5.540 -1.062 4.851 1.00 0.25 C ATOM 449 CG2 VAL A 17 7.869 -1.314 3.955 1.00 0.27 C ATOM 0 H VAL A 17 5.952 0.430 7.381 1.00 0.30 H new ATOM 0 HA VAL A 17 8.370 -1.013 6.808 1.00 0.29 H new ATOM 0 HB VAL A 17 7.008 -2.472 5.507 1.00 0.27 H new ATOM 0 HG11 VAL A 17 5.186 -1.685 4.030 1.00 0.25 H new ATOM 0 HG12 VAL A 17 4.911 -1.222 5.726 1.00 0.25 H new ATOM 0 HG13 VAL A 17 5.492 -0.013 4.557 1.00 0.25 H new ATOM 0 HG21 VAL A 17 7.474 -1.944 3.158 1.00 0.27 H new ATOM 0 HG22 VAL A 17 7.893 -0.277 3.620 1.00 0.27 H new ATOM 0 HG23 VAL A 17 8.879 -1.637 4.205 1.00 0.27 H new ATOM 459 N THR A 18 9.168 0.883 5.339 1.00 0.28 N ATOM 460 CA THR A 18 9.717 2.106 4.759 1.00 0.27 C ATOM 461 C THR A 18 10.028 1.876 3.285 1.00 0.26 C ATOM 462 O THR A 18 10.737 0.930 2.940 1.00 0.28 O ATOM 463 CB THR A 18 11.001 2.559 5.480 1.00 0.30 C ATOM 464 OG1 THR A 18 11.087 1.937 6.768 1.00 0.32 O ATOM 465 CG2 THR A 18 11.029 4.073 5.640 1.00 0.30 C ATOM 0 H THR A 18 9.821 0.099 5.351 1.00 0.28 H new ATOM 0 HA THR A 18 8.969 2.891 4.875 1.00 0.27 H new ATOM 0 HB THR A 18 11.855 2.258 4.874 1.00 0.30 H new ATOM 0 HG1 THR A 18 11.907 2.229 7.218 1.00 0.32 H new ATOM 0 HG21 THR A 18 11.945 4.368 6.152 1.00 0.30 H new ATOM 0 HG22 THR A 18 10.995 4.543 4.657 1.00 0.30 H new ATOM 0 HG23 THR A 18 10.167 4.393 6.226 1.00 0.30 H new ATOM 473 N VAL A 19 9.503 2.735 2.417 1.00 0.25 N ATOM 474 CA VAL A 19 9.718 2.586 0.981 1.00 0.25 C ATOM 475 C VAL A 19 9.753 3.936 0.275 1.00 0.25 C ATOM 476 O VAL A 19 9.664 4.987 0.909 1.00 0.25 O ATOM 477 CB VAL A 19 8.610 1.725 0.335 1.00 0.23 C ATOM 478 CG1 VAL A 19 8.631 0.307 0.886 1.00 0.24 C ATOM 479 CG2 VAL A 19 7.246 2.364 0.549 1.00 0.20 C ATOM 0 H VAL A 19 8.929 3.536 2.680 1.00 0.25 H new ATOM 0 HA VAL A 19 10.683 2.092 0.864 1.00 0.25 H new ATOM 0 HB VAL A 19 8.803 1.672 -0.737 1.00 0.23 H new ATOM 0 HG11 VAL A 19 7.841 -0.278 0.415 1.00 0.24 H new ATOM 0 HG12 VAL A 19 9.597 -0.151 0.675 1.00 0.24 H new ATOM 0 HG13 VAL A 19 8.470 0.333 1.964 1.00 0.24 H new ATOM 0 HG21 VAL A 19 6.477 1.744 0.087 1.00 0.20 H new ATOM 0 HG22 VAL A 19 7.049 2.451 1.617 1.00 0.20 H new ATOM 0 HG23 VAL A 19 7.233 3.355 0.096 1.00 0.20 H new ATOM 489 N ARG A 20 9.886 3.889 -1.046 1.00 0.26 N ATOM 490 CA ARG A 20 9.920 5.093 -1.865 1.00 0.27 C ATOM 491 C ARG A 20 8.765 5.086 -2.857 1.00 0.26 C ATOM 492 O ARG A 20 8.303 4.022 -3.275 1.00 0.25 O ATOM 493 CB ARG A 20 11.251 5.186 -2.614 1.00 0.30 C ATOM 494 CG ARG A 20 11.590 6.592 -3.078 1.00 0.32 C ATOM 495 CD ARG A 20 12.645 7.229 -2.190 1.00 0.34 C ATOM 496 NE ARG A 20 13.059 8.540 -2.683 1.00 0.36 N ATOM 497 CZ ARG A 20 14.276 8.805 -3.153 1.00 0.39 C ATOM 498 NH1 ARG A 20 15.200 7.852 -3.191 1.00 0.40 N ATOM 499 NH2 ARG A 20 14.569 10.023 -3.586 1.00 0.42 N ATOM 0 H ARG A 20 9.973 3.021 -1.575 1.00 0.26 H new ATOM 0 HA ARG A 20 9.821 5.961 -1.213 1.00 0.27 H new ATOM 0 HB2 ARG A 20 12.049 4.824 -1.966 1.00 0.30 H new ATOM 0 HB3 ARG A 20 11.218 4.525 -3.480 1.00 0.30 H new ATOM 0 HG2 ARG A 20 11.949 6.561 -4.107 1.00 0.32 H new ATOM 0 HG3 ARG A 20 10.689 7.206 -3.073 1.00 0.32 H new ATOM 0 HD2 ARG A 20 12.253 7.330 -1.178 1.00 0.34 H new ATOM 0 HD3 ARG A 20 13.514 6.573 -2.132 1.00 0.34 H new ATOM 0 HE ARG A 20 12.376 9.297 -2.666 1.00 0.36 H new ATOM 0 HH11 ARG A 20 14.978 6.913 -2.859 1.00 0.40 H new ATOM 0 HH12 ARG A 20 16.131 8.059 -3.552 1.00 0.40 H new ATOM 0 HH21 ARG A 20 13.862 10.758 -3.559 1.00 0.42 H new ATOM 0 HH22 ARG A 20 15.502 10.226 -3.946 1.00 0.42 H new ATOM 513 N VAL A 21 8.297 6.270 -3.231 1.00 0.26 N ATOM 514 CA VAL A 21 7.190 6.383 -4.170 1.00 0.26 C ATOM 515 C VAL A 21 7.625 6.025 -5.588 1.00 0.28 C ATOM 516 O VAL A 21 8.598 6.565 -6.109 1.00 0.31 O ATOM 517 CB VAL A 21 6.587 7.800 -4.171 1.00 0.27 C ATOM 518 CG1 VAL A 21 5.320 7.842 -5.009 1.00 0.27 C ATOM 519 CG2 VAL A 21 6.309 8.260 -2.747 1.00 0.27 C ATOM 0 H VAL A 21 8.665 7.162 -2.900 1.00 0.26 H new ATOM 0 HA VAL A 21 6.430 5.676 -3.838 1.00 0.26 H new ATOM 0 HB VAL A 21 7.310 8.483 -4.616 1.00 0.27 H new ATOM 0 HG11 VAL A 21 4.909 8.852 -4.997 1.00 0.27 H new ATOM 0 HG12 VAL A 21 5.553 7.557 -6.035 1.00 0.27 H new ATOM 0 HG13 VAL A 21 4.588 7.148 -4.597 1.00 0.27 H new ATOM 0 HG21 VAL A 21 5.883 9.263 -2.765 1.00 0.27 H new ATOM 0 HG22 VAL A 21 5.605 7.575 -2.274 1.00 0.27 H new ATOM 0 HG23 VAL A 21 7.240 8.271 -2.180 1.00 0.27 H new ATOM 529 N LEU A 22 6.903 5.096 -6.199 1.00 0.27 N ATOM 530 CA LEU A 22 7.195 4.667 -7.557 1.00 0.30 C ATOM 531 C LEU A 22 6.171 5.247 -8.525 1.00 0.31 C ATOM 532 O LEU A 22 6.430 5.378 -9.722 1.00 0.34 O ATOM 533 CB LEU A 22 7.197 3.140 -7.636 1.00 0.30 C ATOM 534 CG LEU A 22 8.010 2.430 -6.548 1.00 0.29 C ATOM 535 CD1 LEU A 22 8.059 0.933 -6.810 1.00 0.30 C ATOM 536 CD2 LEU A 22 9.419 3.002 -6.467 1.00 0.32 C ATOM 0 H LEU A 22 6.107 4.623 -5.772 1.00 0.27 H new ATOM 0 HA LEU A 22 8.183 5.033 -7.837 1.00 0.30 H new ATOM 0 HB2 LEU A 22 6.167 2.788 -7.584 1.00 0.30 H new ATOM 0 HB3 LEU A 22 7.587 2.843 -8.610 1.00 0.30 H new ATOM 0 HG LEU A 22 7.517 2.598 -5.591 1.00 0.29 H new ATOM 0 HD11 LEU A 22 8.640 0.446 -6.027 1.00 0.30 H new ATOM 0 HD12 LEU A 22 7.046 0.531 -6.813 1.00 0.30 H new ATOM 0 HD13 LEU A 22 8.526 0.748 -7.777 1.00 0.30 H new ATOM 0 HD21 LEU A 22 9.978 2.483 -5.688 1.00 0.32 H new ATOM 0 HD22 LEU A 22 9.922 2.868 -7.425 1.00 0.32 H new ATOM 0 HD23 LEU A 22 9.367 4.065 -6.230 1.00 0.32 H new ATOM 548 N GLU A 23 5.004 5.593 -7.988 1.00 0.29 N ATOM 549 CA GLU A 23 3.923 6.162 -8.781 1.00 0.30 C ATOM 550 C GLU A 23 2.892 6.823 -7.877 1.00 0.28 C ATOM 551 O GLU A 23 2.908 6.628 -6.660 1.00 0.25 O ATOM 552 CB GLU A 23 3.257 5.080 -9.634 1.00 0.29 C ATOM 553 CG GLU A 23 2.609 5.617 -10.902 1.00 0.32 C ATOM 554 CD GLU A 23 3.398 5.277 -12.149 1.00 0.36 C ATOM 555 OE1 GLU A 23 4.496 5.840 -12.329 1.00 0.38 O ATOM 556 OE2 GLU A 23 2.916 4.445 -12.947 1.00 0.36 O ATOM 0 H GLU A 23 4.784 5.487 -6.998 1.00 0.29 H new ATOM 0 HA GLU A 23 4.345 6.918 -9.443 1.00 0.30 H new ATOM 0 HB2 GLU A 23 4.003 4.333 -9.905 1.00 0.29 H new ATOM 0 HB3 GLU A 23 2.500 4.572 -9.036 1.00 0.29 H new ATOM 0 HG2 GLU A 23 1.602 5.209 -10.991 1.00 0.32 H new ATOM 0 HG3 GLU A 23 2.509 6.700 -10.824 1.00 0.32 H new ATOM 563 N ALA A 24 1.995 7.603 -8.469 1.00 0.30 N ATOM 564 CA ALA A 24 0.963 8.290 -7.703 1.00 0.29 C ATOM 565 C ALA A 24 -0.168 8.773 -8.604 1.00 0.32 C ATOM 566 O ALA A 24 0.068 9.461 -9.597 1.00 0.35 O ATOM 567 CB ALA A 24 1.569 9.460 -6.943 1.00 0.31 C ATOM 0 H ALA A 24 1.962 7.775 -9.474 1.00 0.30 H new ATOM 0 HA ALA A 24 0.542 7.580 -6.991 1.00 0.29 H new ATOM 0 HB1 ALA A 24 0.790 9.967 -6.374 1.00 0.31 H new ATOM 0 HB2 ALA A 24 2.336 9.093 -6.261 1.00 0.31 H new ATOM 0 HB3 ALA A 24 2.016 10.160 -7.649 1.00 0.31 H new ATOM 573 N SER A 25 -1.397 8.407 -8.249 1.00 0.30 N ATOM 574 CA SER A 25 -2.567 8.809 -9.021 1.00 0.33 C ATOM 575 C SER A 25 -3.440 9.765 -8.212 1.00 0.35 C ATOM 576 O SER A 25 -3.440 9.727 -6.982 1.00 0.33 O ATOM 577 CB SER A 25 -3.378 7.583 -9.439 1.00 0.31 C ATOM 578 OG SER A 25 -3.853 7.715 -10.768 1.00 0.33 O ATOM 0 H SER A 25 -1.607 7.833 -7.432 1.00 0.30 H new ATOM 0 HA SER A 25 -2.224 9.325 -9.918 1.00 0.33 H new ATOM 0 HB2 SER A 25 -2.760 6.689 -9.357 1.00 0.31 H new ATOM 0 HB3 SER A 25 -4.220 7.451 -8.760 1.00 0.31 H new ATOM 0 HG SER A 25 -4.367 6.917 -11.012 1.00 0.33 H new ATOM 584 N GLU A 26 -4.181 10.620 -8.910 1.00 0.38 N ATOM 585 CA GLU A 26 -5.054 11.586 -8.256 1.00 0.41 C ATOM 586 C GLU A 26 -6.188 10.883 -7.517 1.00 0.39 C ATOM 587 O GLU A 26 -6.513 9.731 -7.808 1.00 0.37 O ATOM 588 CB GLU A 26 -5.628 12.564 -9.283 1.00 0.44 C ATOM 589 CG GLU A 26 -4.585 13.142 -10.225 1.00 0.46 C ATOM 590 CD GLU A 26 -3.659 14.126 -9.536 1.00 0.47 C ATOM 591 OE1 GLU A 26 -4.165 15.114 -8.964 1.00 0.50 O ATOM 592 OE2 GLU A 26 -2.429 13.909 -9.569 1.00 0.46 O ATOM 0 H GLU A 26 -4.194 10.663 -9.929 1.00 0.38 H new ATOM 0 HA GLU A 26 -4.460 12.140 -7.529 1.00 0.41 H new ATOM 0 HB2 GLU A 26 -6.392 12.054 -9.870 1.00 0.44 H new ATOM 0 HB3 GLU A 26 -6.122 13.381 -8.757 1.00 0.44 H new ATOM 0 HG2 GLU A 26 -3.995 12.330 -10.650 1.00 0.46 H new ATOM 0 HG3 GLU A 26 -5.086 13.640 -11.055 1.00 0.46 H new ATOM 599 N ALA A 27 -6.694 11.539 -6.498 1.00 0.41 N ATOM 600 CA ALA A 27 -7.702 10.953 -5.638 1.00 0.41 C ATOM 601 C ALA A 27 -9.112 10.992 -6.238 1.00 0.44 C ATOM 602 O ALA A 27 -9.618 12.049 -6.616 1.00 0.48 O ATOM 603 CB ALA A 27 -7.592 11.629 -4.287 1.00 0.43 C ATOM 0 H ALA A 27 -6.422 12.488 -6.241 1.00 0.41 H new ATOM 0 HA ALA A 27 -7.517 9.885 -5.525 1.00 0.41 H new ATOM 0 HB1 ALA A 27 -8.338 11.213 -3.610 1.00 0.43 H new ATOM 0 HB2 ALA A 27 -6.596 11.462 -3.877 1.00 0.43 H new ATOM 0 HB3 ALA A 27 -7.763 12.700 -4.401 1.00 0.43 H new ATOM 609 N ARG A 28 -9.737 9.805 -6.299 1.00 0.41 N ATOM 610 CA ARG A 28 -11.072 9.638 -6.882 1.00 0.43 C ATOM 611 C ARG A 28 -12.059 9.011 -5.883 1.00 0.43 C ATOM 612 O ARG A 28 -11.678 8.617 -4.783 1.00 0.44 O ATOM 613 CB ARG A 28 -10.969 8.755 -8.149 1.00 0.42 C ATOM 614 CG ARG A 28 -11.470 7.319 -7.972 1.00 0.56 C ATOM 615 CD ARG A 28 -10.386 6.281 -8.227 1.00 0.65 C ATOM 616 NE ARG A 28 -10.897 4.917 -8.068 1.00 0.86 N ATOM 617 CZ ARG A 28 -10.130 3.848 -7.845 1.00 1.02 C ATOM 618 NH1 ARG A 28 -8.812 3.974 -7.757 1.00 1.03 N ATOM 619 NH2 ARG A 28 -10.685 2.648 -7.706 1.00 1.24 N ATOM 0 H ARG A 28 -9.330 8.939 -5.946 1.00 0.41 H new ATOM 0 HA ARG A 28 -11.455 10.625 -7.143 1.00 0.43 H new ATOM 0 HB2 ARG A 28 -11.537 9.227 -8.951 1.00 0.42 H new ATOM 0 HB3 ARG A 28 -9.928 8.725 -8.470 1.00 0.42 H new ATOM 0 HG2 ARG A 28 -11.854 7.195 -6.960 1.00 0.56 H new ATOM 0 HG3 ARG A 28 -12.303 7.143 -8.653 1.00 0.56 H new ATOM 0 HD2 ARG A 28 -9.991 6.407 -9.235 1.00 0.65 H new ATOM 0 HD3 ARG A 28 -9.557 6.442 -7.537 1.00 0.65 H new ATOM 0 HE ARG A 28 -11.905 4.775 -8.132 1.00 0.86 H new ATOM 0 HH11 ARG A 28 -8.379 4.892 -7.860 1.00 1.03 H new ATOM 0 HH12 ARG A 28 -8.231 3.153 -7.586 1.00 1.03 H new ATOM 0 HH21 ARG A 28 -11.698 2.544 -7.770 1.00 1.24 H new ATOM 0 HH22 ARG A 28 -10.098 1.831 -7.536 1.00 1.24 H new ATOM 633 N GLN A 29 -13.331 8.937 -6.282 1.00 0.45 N ATOM 634 CA GLN A 29 -14.381 8.341 -5.459 1.00 0.46 C ATOM 635 C GLN A 29 -14.691 6.921 -5.920 1.00 0.44 C ATOM 636 O GLN A 29 -14.698 6.638 -7.118 1.00 0.43 O ATOM 637 CB GLN A 29 -15.667 9.167 -5.544 1.00 0.51 C ATOM 638 CG GLN A 29 -15.569 10.529 -4.893 1.00 0.54 C ATOM 639 CD GLN A 29 -16.904 11.253 -4.851 1.00 0.61 C ATOM 640 OE1 GLN A 29 -17.242 12.011 -5.761 1.00 0.74 O ATOM 641 NE2 GLN A 29 -17.677 11.019 -3.795 1.00 0.84 N ATOM 0 H GLN A 29 -13.659 9.288 -7.182 1.00 0.45 H new ATOM 0 HA GLN A 29 -14.019 8.323 -4.431 1.00 0.46 H new ATOM 0 HB2 GLN A 29 -15.935 9.296 -6.593 1.00 0.51 H new ATOM 0 HB3 GLN A 29 -16.477 8.609 -5.074 1.00 0.51 H new ATOM 0 HG2 GLN A 29 -15.189 10.416 -3.878 1.00 0.54 H new ATOM 0 HG3 GLN A 29 -14.847 11.137 -5.438 1.00 0.54 H new ATOM 0 HE21 GLN A 29 -17.361 10.384 -3.062 1.00 0.84 H new ATOM 0 HE22 GLN A 29 -18.586 11.474 -3.718 1.00 0.84 H new ATOM 650 N ILE A 30 -14.939 6.030 -4.966 1.00 0.43 N ATOM 651 CA ILE A 30 -15.281 4.653 -5.280 1.00 0.40 C ATOM 652 C ILE A 30 -16.593 4.281 -4.580 1.00 0.42 C ATOM 653 O ILE A 30 -16.981 4.908 -3.595 1.00 0.45 O ATOM 654 CB ILE A 30 -14.173 3.662 -4.851 1.00 0.38 C ATOM 655 CG1 ILE A 30 -14.206 3.479 -3.344 1.00 0.39 C ATOM 656 CG2 ILE A 30 -12.793 4.143 -5.290 1.00 0.35 C ATOM 657 CD1 ILE A 30 -13.555 2.196 -2.874 1.00 0.39 C ATOM 0 H ILE A 30 -14.909 6.240 -3.968 1.00 0.43 H new ATOM 0 HA ILE A 30 -15.390 4.580 -6.362 1.00 0.40 H new ATOM 0 HB ILE A 30 -14.363 2.707 -5.340 1.00 0.38 H new ATOM 0 HG12 ILE A 30 -13.705 4.324 -2.873 1.00 0.39 H new ATOM 0 HG13 ILE A 30 -15.243 3.495 -3.007 1.00 0.39 H new ATOM 0 HG21 ILE A 30 -12.039 3.423 -4.972 1.00 0.35 H new ATOM 0 HG22 ILE A 30 -12.769 4.238 -6.376 1.00 0.35 H new ATOM 0 HG23 ILE A 30 -12.584 5.112 -4.836 1.00 0.35 H new ATOM 0 HD11 ILE A 30 -13.616 2.134 -1.788 1.00 0.39 H new ATOM 0 HD12 ILE A 30 -14.070 1.343 -3.316 1.00 0.39 H new ATOM 0 HD13 ILE A 30 -12.509 2.186 -3.180 1.00 0.39 H new ATOM 669 N GLN A 31 -17.262 3.257 -5.083 1.00 0.41 N ATOM 670 CA GLN A 31 -18.532 2.806 -4.520 1.00 0.44 C ATOM 671 C GLN A 31 -18.397 1.431 -3.872 1.00 0.43 C ATOM 672 O GLN A 31 -18.157 0.433 -4.552 1.00 0.42 O ATOM 673 CB GLN A 31 -19.609 2.757 -5.608 1.00 0.44 C ATOM 674 CG GLN A 31 -20.120 4.125 -6.032 1.00 0.47 C ATOM 675 CD GLN A 31 -21.155 4.039 -7.137 1.00 0.50 C ATOM 676 OE1 GLN A 31 -22.354 3.931 -6.875 1.00 0.53 O ATOM 677 NE2 GLN A 31 -20.697 4.089 -8.383 1.00 0.50 N ATOM 0 H GLN A 31 -16.946 2.715 -5.888 1.00 0.41 H new ATOM 0 HA GLN A 31 -18.824 3.521 -3.751 1.00 0.44 H new ATOM 0 HB2 GLN A 31 -19.206 2.244 -6.481 1.00 0.44 H new ATOM 0 HB3 GLN A 31 -20.448 2.162 -5.248 1.00 0.44 H new ATOM 0 HG2 GLN A 31 -20.554 4.631 -5.170 1.00 0.47 H new ATOM 0 HG3 GLN A 31 -19.282 4.734 -6.370 1.00 0.47 H new ATOM 0 HE21 GLN A 31 -19.696 4.179 -8.555 1.00 0.50 H new ATOM 0 HE22 GLN A 31 -21.347 4.038 -9.168 1.00 0.50 H new ATOM 686 N THR A 32 -18.553 1.388 -2.552 1.00 0.45 N ATOM 687 CA THR A 32 -18.462 0.132 -1.809 1.00 0.46 C ATOM 688 C THR A 32 -19.815 -0.295 -1.274 1.00 0.50 C ATOM 689 O THR A 32 -20.847 0.286 -1.614 1.00 0.53 O ATOM 690 CB THR A 32 -17.482 0.231 -0.630 1.00 0.45 C ATOM 691 OG1 THR A 32 -17.965 1.177 0.329 1.00 0.48 O ATOM 692 CG2 THR A 32 -16.105 0.635 -1.119 1.00 0.42 C ATOM 0 H THR A 32 -18.743 2.207 -1.974 1.00 0.45 H new ATOM 0 HA THR A 32 -18.096 -0.611 -2.517 1.00 0.46 H new ATOM 0 HB THR A 32 -17.406 -0.747 -0.154 1.00 0.45 H new ATOM 0 HG1 THR A 32 -17.664 0.918 1.225 1.00 0.48 H new ATOM 0 HG21 THR A 32 -15.423 0.701 -0.271 1.00 0.42 H new ATOM 0 HG22 THR A 32 -15.737 -0.110 -1.825 1.00 0.42 H new ATOM 0 HG23 THR A 32 -16.164 1.605 -1.613 1.00 0.42 H new ATOM 743 N VAL A 36 -20.056 5.541 -0.300 1.00 0.59 N ATOM 744 CA VAL A 36 -19.004 6.096 -1.135 1.00 0.56 C ATOM 745 C VAL A 36 -17.867 6.684 -0.295 1.00 0.55 C ATOM 746 O VAL A 36 -18.084 7.314 0.740 1.00 0.59 O ATOM 747 CB VAL A 36 -19.551 7.142 -2.135 1.00 0.57 C ATOM 748 CG1 VAL A 36 -20.183 8.328 -1.416 1.00 0.61 C ATOM 749 CG2 VAL A 36 -18.459 7.606 -3.084 1.00 0.56 C ATOM 0 HA VAL A 36 -18.596 5.269 -1.716 1.00 0.56 H new ATOM 0 HB VAL A 36 -20.332 6.658 -2.721 1.00 0.57 H new ATOM 0 HG11 VAL A 36 -20.556 9.042 -2.150 1.00 0.61 H new ATOM 0 HG12 VAL A 36 -21.009 7.980 -0.796 1.00 0.61 H new ATOM 0 HG13 VAL A 36 -19.436 8.812 -0.786 1.00 0.61 H new ATOM 0 HG21 VAL A 36 -18.868 8.341 -3.777 1.00 0.56 H new ATOM 0 HG22 VAL A 36 -17.648 8.058 -2.513 1.00 0.56 H new ATOM 0 HG23 VAL A 36 -18.077 6.752 -3.644 1.00 0.56 H new ATOM 759 N ARG A 37 -16.655 6.423 -0.763 1.00 0.52 N ATOM 760 CA ARG A 37 -15.425 6.869 -0.128 1.00 0.51 C ATOM 761 C ARG A 37 -14.470 7.406 -1.172 1.00 0.49 C ATOM 762 O ARG A 37 -14.685 7.228 -2.369 1.00 0.47 O ATOM 763 CB ARG A 37 -14.814 5.771 0.676 1.00 0.49 C ATOM 764 CG ARG A 37 -14.811 4.410 0.001 1.00 0.47 C ATOM 765 CD ARG A 37 -16.089 3.658 0.321 1.00 0.52 C ATOM 766 NE ARG A 37 -15.988 2.887 1.562 1.00 0.49 N ATOM 767 CZ ARG A 37 -16.649 3.183 2.682 1.00 0.53 C ATOM 768 NH1 ARG A 37 -17.479 4.219 2.723 1.00 0.65 N ATOM 769 NH2 ARG A 37 -16.485 2.433 3.764 1.00 0.56 N ATOM 0 H ARG A 37 -16.497 5.883 -1.614 1.00 0.52 H new ATOM 0 HA ARG A 37 -15.655 7.679 0.564 1.00 0.51 H new ATOM 0 HB2 ARG A 37 -13.786 6.044 0.915 1.00 0.49 H new ATOM 0 HB3 ARG A 37 -15.351 5.690 1.621 1.00 0.49 H new ATOM 0 HG2 ARG A 37 -14.714 4.532 -1.078 1.00 0.47 H new ATOM 0 HG3 ARG A 37 -13.949 3.833 0.335 1.00 0.47 H new ATOM 0 HD2 ARG A 37 -16.913 4.366 0.403 1.00 0.52 H new ATOM 0 HD3 ARG A 37 -16.327 2.985 -0.503 1.00 0.52 H new ATOM 0 HE ARG A 37 -15.374 2.073 1.570 1.00 0.49 H new ATOM 0 HH11 ARG A 37 -17.615 4.796 1.893 1.00 0.65 H new ATOM 0 HH12 ARG A 37 -17.980 4.437 3.584 1.00 0.65 H new ATOM 0 HH21 ARG A 37 -15.854 1.632 3.738 1.00 0.56 H new ATOM 0 HH22 ARG A 37 -16.990 2.658 4.622 1.00 0.56 H new ATOM 783 N THR A 38 -13.417 8.065 -0.727 1.00 0.48 N ATOM 784 CA THR A 38 -12.478 8.676 -1.645 1.00 0.46 C ATOM 785 C THR A 38 -11.107 8.100 -1.464 1.00 0.42 C ATOM 786 O THR A 38 -10.435 8.369 -0.484 1.00 0.42 O ATOM 787 CB THR A 38 -12.410 10.195 -1.443 1.00 0.50 C ATOM 788 OG1 THR A 38 -12.579 10.514 -0.056 1.00 0.53 O ATOM 789 CG2 THR A 38 -13.470 10.908 -2.261 1.00 0.53 C ATOM 0 H THR A 38 -13.192 8.190 0.260 1.00 0.48 H new ATOM 0 HA THR A 38 -12.832 8.467 -2.654 1.00 0.46 H new ATOM 0 HB THR A 38 -11.431 10.534 -1.781 1.00 0.50 H new ATOM 0 HG1 THR A 38 -12.533 11.485 0.064 1.00 0.53 H new ATOM 0 HG21 THR A 38 -13.395 11.983 -2.096 1.00 0.53 H new ATOM 0 HG22 THR A 38 -13.320 10.692 -3.319 1.00 0.53 H new ATOM 0 HG23 THR A 38 -14.458 10.562 -1.957 1.00 0.53 H new ATOM 797 N ILE A 39 -10.686 7.325 -2.428 1.00 0.39 N ATOM 798 CA ILE A 39 -9.398 6.689 -2.350 1.00 0.35 C ATOM 799 C ILE A 39 -8.607 6.874 -3.620 1.00 0.33 C ATOM 800 O ILE A 39 -9.113 7.361 -4.630 1.00 0.36 O ATOM 801 CB ILE A 39 -9.552 5.195 -2.091 1.00 0.33 C ATOM 802 CG1 ILE A 39 -10.463 4.575 -3.126 1.00 0.33 C ATOM 803 CG2 ILE A 39 -10.118 4.968 -0.720 1.00 0.35 C ATOM 804 CD1 ILE A 39 -10.033 3.186 -3.516 1.00 0.29 C ATOM 0 H ILE A 39 -11.215 7.119 -3.275 1.00 0.39 H new ATOM 0 HA ILE A 39 -8.863 7.160 -1.526 1.00 0.35 H new ATOM 0 HB ILE A 39 -8.570 4.727 -2.157 1.00 0.33 H new ATOM 0 HG12 ILE A 39 -11.480 4.541 -2.736 1.00 0.33 H new ATOM 0 HG13 ILE A 39 -10.483 5.208 -4.013 1.00 0.33 H new ATOM 0 HG21 ILE A 39 -10.225 3.898 -0.543 1.00 0.35 H new ATOM 0 HG22 ILE A 39 -9.447 5.394 0.026 1.00 0.35 H new ATOM 0 HG23 ILE A 39 -11.094 5.447 -0.645 1.00 0.35 H new ATOM 0 HD11 ILE A 39 -10.721 2.788 -4.261 1.00 0.29 H new ATOM 0 HD12 ILE A 39 -9.027 3.220 -3.933 1.00 0.29 H new ATOM 0 HD13 ILE A 39 -10.039 2.543 -2.636 1.00 0.29 H new ATOM 816 N SER A 40 -7.362 6.470 -3.555 1.00 0.29 N ATOM 817 CA SER A 40 -6.483 6.567 -4.690 1.00 0.28 C ATOM 818 C SER A 40 -5.484 5.435 -4.670 1.00 0.24 C ATOM 819 O SER A 40 -5.350 4.727 -3.670 1.00 0.22 O ATOM 820 CB SER A 40 -5.753 7.897 -4.685 1.00 0.30 C ATOM 821 OG SER A 40 -5.110 8.111 -5.919 1.00 0.30 O ATOM 0 H SER A 40 -6.934 6.068 -2.721 1.00 0.29 H new ATOM 0 HA SER A 40 -7.083 6.500 -5.598 1.00 0.28 H new ATOM 0 HB2 SER A 40 -6.458 8.705 -4.491 1.00 0.30 H new ATOM 0 HB3 SER A 40 -5.020 7.913 -3.879 1.00 0.30 H new ATOM 0 HG SER A 40 -4.576 8.931 -5.872 1.00 0.30 H new ATOM 827 N GLU A 41 -4.780 5.270 -5.769 1.00 0.23 N ATOM 828 CA GLU A 41 -3.803 4.223 -5.873 1.00 0.20 C ATOM 829 C GLU A 41 -2.425 4.802 -6.187 1.00 0.20 C ATOM 830 O GLU A 41 -2.296 5.725 -6.992 1.00 0.24 O ATOM 831 CB GLU A 41 -4.249 3.233 -6.947 1.00 0.21 C ATOM 832 CG GLU A 41 -3.713 1.824 -6.762 1.00 0.21 C ATOM 833 CD GLU A 41 -2.978 1.315 -7.985 1.00 0.35 C ATOM 834 OE1 GLU A 41 -3.594 1.253 -9.068 1.00 0.48 O ATOM 835 OE2 GLU A 41 -1.787 0.977 -7.857 1.00 0.53 O ATOM 0 H GLU A 41 -4.871 5.852 -6.602 1.00 0.23 H new ATOM 0 HA GLU A 41 -3.723 3.699 -4.921 1.00 0.20 H new ATOM 0 HB2 GLU A 41 -5.338 3.196 -6.960 1.00 0.21 H new ATOM 0 HB3 GLU A 41 -3.931 3.605 -7.921 1.00 0.21 H new ATOM 0 HG2 GLU A 41 -3.041 1.805 -5.904 1.00 0.21 H new ATOM 0 HG3 GLU A 41 -4.540 1.152 -6.534 1.00 0.21 H new ATOM 842 N ALA A 42 -1.403 4.256 -5.535 1.00 0.17 N ATOM 843 CA ALA A 42 -0.029 4.721 -5.713 1.00 0.18 C ATOM 844 C ALA A 42 0.962 3.576 -5.532 1.00 0.17 C ATOM 845 O ALA A 42 0.890 2.833 -4.561 1.00 0.15 O ATOM 846 CB ALA A 42 0.263 5.829 -4.719 1.00 0.20 C ATOM 0 H ALA A 42 -1.501 3.486 -4.874 1.00 0.17 H new ATOM 0 HA ALA A 42 0.082 5.104 -6.727 1.00 0.18 H new ATOM 0 HB1 ALA A 42 1.288 6.176 -4.852 1.00 0.20 H new ATOM 0 HB2 ALA A 42 -0.425 6.658 -4.885 1.00 0.20 H new ATOM 0 HB3 ALA A 42 0.136 5.451 -3.705 1.00 0.20 H new ATOM 852 N ILE A 43 1.885 3.438 -6.474 1.00 0.19 N ATOM 853 CA ILE A 43 2.888 2.379 -6.423 1.00 0.20 C ATOM 854 C ILE A 43 4.117 2.781 -5.593 1.00 0.21 C ATOM 855 O ILE A 43 4.618 3.887 -5.707 1.00 0.23 O ATOM 856 CB ILE A 43 3.344 1.994 -7.853 1.00 0.23 C ATOM 857 CG1 ILE A 43 2.132 1.707 -8.747 1.00 0.24 C ATOM 858 CG2 ILE A 43 4.271 0.786 -7.830 1.00 0.25 C ATOM 859 CD1 ILE A 43 1.181 0.681 -8.171 1.00 0.21 C ATOM 0 H ILE A 43 1.961 4.049 -7.287 1.00 0.19 H new ATOM 0 HA ILE A 43 2.417 1.523 -5.939 1.00 0.20 H new ATOM 0 HB ILE A 43 3.895 2.841 -8.263 1.00 0.23 H new ATOM 0 HG12 ILE A 43 1.589 2.637 -8.918 1.00 0.24 H new ATOM 0 HG13 ILE A 43 2.483 1.359 -9.719 1.00 0.24 H new ATOM 0 HG21 ILE A 43 4.574 0.540 -8.848 1.00 0.25 H new ATOM 0 HG22 ILE A 43 5.154 1.016 -7.234 1.00 0.25 H new ATOM 0 HG23 ILE A 43 3.749 -0.065 -7.391 1.00 0.25 H new ATOM 0 HD11 ILE A 43 0.349 0.530 -8.858 1.00 0.21 H new ATOM 0 HD12 ILE A 43 1.708 -0.262 -8.026 1.00 0.21 H new ATOM 0 HD13 ILE A 43 0.801 1.035 -7.213 1.00 0.21 H new ATOM 871 N VAL A 44 4.515 1.885 -4.696 1.00 0.19 N ATOM 872 CA VAL A 44 5.697 2.026 -3.847 1.00 0.20 C ATOM 873 C VAL A 44 6.479 0.758 -3.843 1.00 0.22 C ATOM 874 O VAL A 44 6.002 -0.311 -4.232 1.00 0.23 O ATOM 875 CB VAL A 44 5.302 2.186 -2.347 1.00 0.21 C ATOM 876 CG1 VAL A 44 4.958 3.601 -2.005 1.00 0.27 C ATOM 877 CG2 VAL A 44 4.019 1.522 -2.193 1.00 0.16 C ATOM 0 H VAL A 44 4.010 1.014 -4.533 1.00 0.19 H new ATOM 0 HA VAL A 44 6.243 2.885 -4.237 1.00 0.20 H new ATOM 0 HB VAL A 44 6.130 1.814 -1.743 1.00 0.21 H new ATOM 0 HG11 VAL A 44 4.689 3.665 -0.951 1.00 0.27 H new ATOM 0 HG12 VAL A 44 5.818 4.242 -2.200 1.00 0.27 H new ATOM 0 HG13 VAL A 44 4.116 3.928 -2.615 1.00 0.27 H new ATOM 0 HG21 VAL A 44 3.690 1.602 -1.157 1.00 0.16 H new ATOM 0 HG22 VAL A 44 3.284 1.995 -2.844 1.00 0.16 H new ATOM 0 HG23 VAL A 44 4.119 0.470 -2.462 1.00 0.16 H new ATOM 887 N GLY A 45 7.664 0.892 -3.351 1.00 0.24 N ATOM 888 CA GLY A 45 8.473 -0.289 -3.101 1.00 0.26 C ATOM 889 C GLY A 45 9.879 0.044 -2.642 1.00 0.29 C ATOM 890 O GLY A 45 10.295 1.202 -2.676 1.00 0.29 O ATOM 0 H GLY A 45 8.102 1.782 -3.112 1.00 0.24 H new ATOM 0 HA2 GLY A 45 7.985 -0.903 -2.344 1.00 0.26 H new ATOM 0 HA3 GLY A 45 8.526 -0.886 -4.011 1.00 0.26 H new ATOM 894 N ASP A 46 10.611 -0.981 -2.214 1.00 0.31 N ATOM 895 CA ASP A 46 11.980 -0.805 -1.744 1.00 0.34 C ATOM 896 C ASP A 46 12.924 -1.758 -2.469 1.00 0.38 C ATOM 897 O ASP A 46 12.575 -2.323 -3.503 1.00 0.39 O ATOM 898 CB ASP A 46 12.060 -1.036 -0.232 1.00 0.33 C ATOM 899 CG ASP A 46 11.535 -2.400 0.177 1.00 0.34 C ATOM 900 OD1 ASP A 46 11.157 -3.187 -0.715 1.00 0.34 O ATOM 901 OD2 ASP A 46 11.503 -2.679 1.395 1.00 0.34 O ATOM 0 H ASP A 46 10.277 -1.944 -2.183 1.00 0.31 H new ATOM 0 HA ASP A 46 12.286 0.219 -1.960 1.00 0.34 H new ATOM 0 HB2 ASP A 46 13.096 -0.937 0.093 1.00 0.33 H new ATOM 0 HB3 ASP A 46 11.489 -0.262 0.281 1.00 0.33 H new ATOM 906 N GLU A 47 14.120 -1.933 -1.915 1.00 0.40 N ATOM 907 CA GLU A 47 15.115 -2.815 -2.514 1.00 0.44 C ATOM 908 C GLU A 47 14.787 -4.284 -2.254 1.00 0.45 C ATOM 909 O GLU A 47 15.534 -5.174 -2.657 1.00 0.49 O ATOM 910 CB GLU A 47 16.508 -2.491 -1.967 1.00 0.46 C ATOM 911 CG GLU A 47 16.554 -2.355 -0.453 1.00 0.45 C ATOM 912 CD GLU A 47 17.701 -3.128 0.168 1.00 0.48 C ATOM 913 OE1 GLU A 47 17.835 -4.333 -0.131 1.00 0.51 O ATOM 914 OE2 GLU A 47 18.466 -2.528 0.952 1.00 0.49 O ATOM 0 H GLU A 47 14.423 -1.477 -1.054 1.00 0.40 H new ATOM 0 HA GLU A 47 15.100 -2.648 -3.591 1.00 0.44 H new ATOM 0 HB2 GLU A 47 17.200 -3.275 -2.274 1.00 0.46 H new ATOM 0 HB3 GLU A 47 16.858 -1.562 -2.417 1.00 0.46 H new ATOM 0 HG2 GLU A 47 16.646 -1.301 -0.189 1.00 0.45 H new ATOM 0 HG3 GLU A 47 15.613 -2.708 -0.032 1.00 0.45 H new ATOM 921 N THR A 48 13.669 -4.532 -1.577 1.00 0.43 N ATOM 922 CA THR A 48 13.256 -5.896 -1.264 1.00 0.44 C ATOM 923 C THR A 48 12.081 -6.345 -2.126 1.00 0.43 C ATOM 924 O THR A 48 11.579 -7.459 -1.970 1.00 0.44 O ATOM 925 CB THR A 48 12.872 -6.030 0.219 1.00 0.43 C ATOM 926 OG1 THR A 48 11.525 -5.588 0.419 1.00 0.39 O ATOM 927 CG2 THR A 48 13.812 -5.212 1.089 1.00 0.43 C ATOM 0 H THR A 48 13.035 -3.809 -1.236 1.00 0.43 H new ATOM 0 HA THR A 48 14.111 -6.537 -1.478 1.00 0.44 H new ATOM 0 HB THR A 48 12.954 -7.079 0.502 1.00 0.43 H new ATOM 0 HG1 THR A 48 11.327 -4.853 -0.198 1.00 0.39 H new ATOM 0 HG21 THR A 48 13.525 -5.319 2.135 1.00 0.43 H new ATOM 0 HG22 THR A 48 14.834 -5.567 0.955 1.00 0.43 H new ATOM 0 HG23 THR A 48 13.752 -4.162 0.802 1.00 0.43 H new ATOM 935 N GLY A 49 11.643 -5.479 -3.034 1.00 0.41 N ATOM 936 CA GLY A 49 10.531 -5.821 -3.904 1.00 0.41 C ATOM 937 C GLY A 49 9.646 -4.633 -4.227 1.00 0.37 C ATOM 938 O GLY A 49 10.126 -3.504 -4.334 1.00 0.36 O ATOM 0 H GLY A 49 12.036 -4.550 -3.183 1.00 0.41 H new ATOM 0 HA2 GLY A 49 10.919 -6.242 -4.832 1.00 0.41 H new ATOM 0 HA3 GLY A 49 9.930 -6.597 -3.429 1.00 0.41 H new ATOM 942 N ARG A 50 8.365 -4.915 -4.419 1.00 0.35 N ATOM 943 CA ARG A 50 7.401 -3.908 -4.760 1.00 0.31 C ATOM 944 C ARG A 50 6.005 -4.364 -4.371 1.00 0.29 C ATOM 945 O ARG A 50 5.660 -5.538 -4.491 1.00 0.31 O ATOM 946 CB ARG A 50 7.450 -3.623 -6.254 1.00 0.33 C ATOM 947 CG ARG A 50 6.404 -2.631 -6.693 1.00 0.30 C ATOM 948 CD ARG A 50 5.961 -2.891 -8.120 1.00 0.32 C ATOM 949 NE ARG A 50 6.884 -2.325 -9.099 1.00 0.36 N ATOM 950 CZ ARG A 50 6.513 -1.865 -10.291 1.00 0.38 C ATOM 951 NH1 ARG A 50 5.236 -1.885 -10.649 1.00 0.38 N ATOM 952 NH2 ARG A 50 7.423 -1.382 -11.128 1.00 0.42 N ATOM 0 H ARG A 50 7.976 -5.854 -4.340 1.00 0.35 H new ATOM 0 HA ARG A 50 7.642 -2.996 -4.214 1.00 0.31 H new ATOM 0 HB2 ARG A 50 8.438 -3.242 -6.515 1.00 0.33 H new ATOM 0 HB3 ARG A 50 7.313 -4.555 -6.802 1.00 0.33 H new ATOM 0 HG2 ARG A 50 5.543 -2.688 -6.027 1.00 0.30 H new ATOM 0 HG3 ARG A 50 6.803 -1.620 -6.612 1.00 0.30 H new ATOM 0 HD2 ARG A 50 5.877 -3.966 -8.282 1.00 0.32 H new ATOM 0 HD3 ARG A 50 4.968 -2.467 -8.273 1.00 0.32 H new ATOM 0 HE ARG A 50 7.873 -2.279 -8.854 1.00 0.36 H new ATOM 0 HH11 ARG A 50 4.533 -2.254 -10.009 1.00 0.38 H new ATOM 0 HH12 ARG A 50 4.957 -1.531 -11.564 1.00 0.38 H new ATOM 0 HH21 ARG A 50 8.406 -1.364 -10.857 1.00 0.42 H new ATOM 0 HH22 ARG A 50 7.139 -1.029 -12.042 1.00 0.42 H new ATOM 966 N VAL A 51 5.216 -3.418 -3.918 1.00 0.25 N ATOM 967 CA VAL A 51 3.855 -3.671 -3.497 1.00 0.23 C ATOM 968 C VAL A 51 2.964 -2.450 -3.757 1.00 0.19 C ATOM 969 O VAL A 51 3.329 -1.322 -3.428 1.00 0.18 O ATOM 970 CB VAL A 51 3.806 -4.049 -2.002 1.00 0.23 C ATOM 971 CG1 VAL A 51 4.518 -3.008 -1.147 1.00 0.22 C ATOM 972 CG2 VAL A 51 2.374 -4.211 -1.556 1.00 0.21 C ATOM 0 H VAL A 51 5.502 -2.443 -3.830 1.00 0.25 H new ATOM 0 HA VAL A 51 3.477 -4.508 -4.084 1.00 0.23 H new ATOM 0 HB VAL A 51 4.326 -4.998 -1.872 1.00 0.23 H new ATOM 0 HG11 VAL A 51 4.467 -3.302 -0.099 1.00 0.22 H new ATOM 0 HG12 VAL A 51 5.562 -2.937 -1.454 1.00 0.22 H new ATOM 0 HG13 VAL A 51 4.036 -2.039 -1.276 1.00 0.22 H new ATOM 0 HG21 VAL A 51 2.350 -4.478 -0.499 1.00 0.21 H new ATOM 0 HG22 VAL A 51 1.838 -3.274 -1.706 1.00 0.21 H new ATOM 0 HG23 VAL A 51 1.898 -4.999 -2.140 1.00 0.21 H new ATOM 982 N LYS A 52 1.806 -2.682 -4.372 1.00 0.18 N ATOM 983 CA LYS A 52 0.856 -1.609 -4.673 1.00 0.15 C ATOM 984 C LYS A 52 0.258 -1.009 -3.389 1.00 0.13 C ATOM 985 O LYS A 52 -0.222 -1.740 -2.522 1.00 0.14 O ATOM 986 CB LYS A 52 -0.261 -2.144 -5.577 1.00 0.16 C ATOM 987 CG LYS A 52 0.222 -3.169 -6.595 1.00 0.21 C ATOM 988 CD LYS A 52 -0.163 -2.785 -8.013 1.00 0.23 C ATOM 989 CE LYS A 52 0.582 -3.627 -9.039 1.00 0.29 C ATOM 990 NZ LYS A 52 0.218 -5.070 -8.944 1.00 0.28 N ATOM 0 H LYS A 52 1.501 -3.607 -4.673 1.00 0.18 H new ATOM 0 HA LYS A 52 1.394 -0.815 -5.191 1.00 0.15 H new ATOM 0 HB2 LYS A 52 -1.035 -2.596 -4.957 1.00 0.16 H new ATOM 0 HB3 LYS A 52 -0.723 -1.309 -6.104 1.00 0.16 H new ATOM 0 HG2 LYS A 52 1.306 -3.265 -6.527 1.00 0.21 H new ATOM 0 HG3 LYS A 52 -0.201 -4.145 -6.356 1.00 0.21 H new ATOM 0 HD2 LYS A 52 -1.237 -2.912 -8.147 1.00 0.23 H new ATOM 0 HD3 LYS A 52 0.056 -1.730 -8.178 1.00 0.23 H new ATOM 0 HE2 LYS A 52 0.357 -3.261 -10.041 1.00 0.29 H new ATOM 0 HE3 LYS A 52 1.656 -3.513 -8.891 1.00 0.29 H new ATOM 0 HZ1 LYS A 52 0.721 -5.604 -9.681 1.00 0.28 H new ATOM 0 HZ2 LYS A 52 0.487 -5.435 -8.008 1.00 0.28 H new ATOM 0 HZ3 LYS A 52 -0.808 -5.179 -9.077 1.00 0.28 H new ATOM 1004 N LEU A 53 0.298 0.324 -3.277 1.00 0.12 N ATOM 1005 CA LEU A 53 -0.234 1.029 -2.105 1.00 0.12 C ATOM 1006 C LEU A 53 -1.598 1.651 -2.402 1.00 0.13 C ATOM 1007 O LEU A 53 -1.821 2.232 -3.463 1.00 0.13 O ATOM 1008 CB LEU A 53 0.745 2.124 -1.649 1.00 0.13 C ATOM 1009 CG LEU A 53 0.602 2.629 -0.200 1.00 0.15 C ATOM 1010 CD1 LEU A 53 -0.517 3.651 -0.073 1.00 0.19 C ATOM 1011 CD2 LEU A 53 0.372 1.473 0.759 1.00 0.17 C ATOM 0 H LEU A 53 0.695 0.938 -3.988 1.00 0.12 H new ATOM 0 HA LEU A 53 -0.356 0.297 -1.307 1.00 0.12 H new ATOM 0 HB2 LEU A 53 1.760 1.747 -1.778 1.00 0.13 H new ATOM 0 HB3 LEU A 53 0.635 2.977 -2.318 1.00 0.13 H new ATOM 0 HG LEU A 53 1.538 3.120 0.066 1.00 0.15 H new ATOM 0 HD11 LEU A 53 -0.589 3.985 0.962 1.00 0.19 H new ATOM 0 HD12 LEU A 53 -0.304 4.505 -0.716 1.00 0.19 H new ATOM 0 HD13 LEU A 53 -1.461 3.196 -0.374 1.00 0.19 H new ATOM 0 HD21 LEU A 53 0.274 1.857 1.775 1.00 0.17 H new ATOM 0 HD22 LEU A 53 -0.541 0.946 0.481 1.00 0.17 H new ATOM 0 HD23 LEU A 53 1.217 0.786 0.710 1.00 0.17 H new ATOM 1023 N THR A 54 -2.497 1.516 -1.443 1.00 0.16 N ATOM 1024 CA THR A 54 -3.843 2.045 -1.552 1.00 0.18 C ATOM 1025 C THR A 54 -4.191 2.938 -0.379 1.00 0.22 C ATOM 1026 O THR A 54 -4.356 2.480 0.740 1.00 0.25 O ATOM 1027 CB THR A 54 -4.913 0.958 -1.662 1.00 0.21 C ATOM 1028 OG1 THR A 54 -4.352 -0.249 -2.191 1.00 0.22 O ATOM 1029 CG2 THR A 54 -6.021 1.455 -2.567 1.00 0.23 C ATOM 0 H THR A 54 -2.312 1.034 -0.563 1.00 0.16 H new ATOM 0 HA THR A 54 -3.841 2.623 -2.476 1.00 0.18 H new ATOM 0 HB THR A 54 -5.311 0.741 -0.671 1.00 0.21 H new ATOM 0 HG1 THR A 54 -3.760 -0.654 -1.524 1.00 0.22 H new ATOM 0 HG21 THR A 54 -6.791 0.689 -2.654 1.00 0.23 H new ATOM 0 HG22 THR A 54 -6.457 2.361 -2.145 1.00 0.23 H new ATOM 0 HG23 THR A 54 -5.614 1.674 -3.554 1.00 0.23 H new ATOM 1037 N LEU A 55 -4.333 4.200 -0.662 1.00 0.22 N ATOM 1038 CA LEU A 55 -4.664 5.198 0.334 1.00 0.26 C ATOM 1039 C LEU A 55 -6.169 5.248 0.561 1.00 0.28 C ATOM 1040 O LEU A 55 -6.941 4.900 -0.330 1.00 0.28 O ATOM 1041 CB LEU A 55 -4.173 6.524 -0.176 1.00 0.26 C ATOM 1042 CG LEU A 55 -2.864 6.437 -0.958 1.00 0.24 C ATOM 1043 CD1 LEU A 55 -3.046 6.989 -2.346 1.00 0.24 C ATOM 1044 CD2 LEU A 55 -1.748 7.168 -0.246 1.00 0.25 C ATOM 0 H LEU A 55 -4.222 4.578 -1.603 1.00 0.22 H new ATOM 0 HA LEU A 55 -4.194 4.953 1.286 1.00 0.26 H new ATOM 0 HB2 LEU A 55 -4.939 6.963 -0.815 1.00 0.26 H new ATOM 0 HB3 LEU A 55 -4.037 7.200 0.668 1.00 0.26 H new ATOM 0 HG LEU A 55 -2.586 5.385 -1.028 1.00 0.24 H new ATOM 0 HD11 LEU A 55 -2.105 6.920 -2.891 1.00 0.24 H new ATOM 0 HD12 LEU A 55 -3.811 6.415 -2.869 1.00 0.24 H new ATOM 0 HD13 LEU A 55 -3.355 8.033 -2.285 1.00 0.24 H new ATOM 0 HD21 LEU A 55 -0.830 7.087 -0.829 1.00 0.25 H new ATOM 0 HD22 LEU A 55 -2.015 8.219 -0.134 1.00 0.25 H new ATOM 0 HD23 LEU A 55 -1.593 6.726 0.738 1.00 0.25 H new ATOM 1056 N TRP A 56 -6.588 5.697 1.740 1.00 0.32 N ATOM 1057 CA TRP A 56 -8.011 5.741 2.054 1.00 0.36 C ATOM 1058 C TRP A 56 -8.479 7.093 2.608 1.00 0.40 C ATOM 1059 O TRP A 56 -7.935 7.613 3.583 1.00 0.42 O ATOM 1060 CB TRP A 56 -8.340 4.601 3.018 1.00 0.36 C ATOM 1061 CG TRP A 56 -8.412 3.272 2.320 1.00 0.33 C ATOM 1062 CD1 TRP A 56 -7.390 2.365 2.159 1.00 0.30 C ATOM 1063 CD2 TRP A 56 -9.568 2.697 1.677 1.00 0.34 C ATOM 1064 NE1 TRP A 56 -7.827 1.288 1.435 1.00 0.30 N ATOM 1065 CE2 TRP A 56 -9.173 1.461 1.142 1.00 0.31 C ATOM 1066 CE3 TRP A 56 -10.891 3.112 1.497 1.00 0.38 C ATOM 1067 CZ2 TRP A 56 -10.055 0.648 0.443 1.00 0.32 C ATOM 1068 CZ3 TRP A 56 -11.755 2.301 0.804 1.00 0.38 C ATOM 1069 CH2 TRP A 56 -11.336 1.086 0.284 1.00 0.34 C ATOM 0 H TRP A 56 -5.974 6.030 2.483 1.00 0.32 H new ATOM 0 HA TRP A 56 -8.559 5.614 1.120 1.00 0.36 H new ATOM 0 HB2 TRP A 56 -7.582 4.558 3.800 1.00 0.36 H new ATOM 0 HB3 TRP A 56 -9.292 4.805 3.508 1.00 0.36 H new ATOM 0 HD1 TRP A 56 -6.389 2.485 2.547 1.00 0.30 H new ATOM 0 HE1 TRP A 56 -7.257 0.489 1.157 1.00 0.30 H new ATOM 0 HE3 TRP A 56 -11.228 4.057 1.897 1.00 0.38 H new ATOM 0 HZ2 TRP A 56 -9.736 -0.301 0.038 1.00 0.32 H new ATOM 0 HZ3 TRP A 56 -12.779 2.615 0.661 1.00 0.38 H new ATOM 0 HH2 TRP A 56 -12.040 0.473 -0.259 1.00 0.34 H new ATOM 1080 N GLY A 57 -9.502 7.632 1.941 1.00 0.42 N ATOM 1081 CA GLY A 57 -10.126 8.903 2.301 1.00 0.47 C ATOM 1082 C GLY A 57 -9.220 10.118 2.144 1.00 0.47 C ATOM 1083 O GLY A 57 -9.102 10.659 1.045 1.00 0.46 O ATOM 0 H GLY A 57 -9.925 7.190 1.125 1.00 0.42 H new ATOM 0 HA2 GLY A 57 -11.014 9.045 1.684 1.00 0.47 H new ATOM 0 HA3 GLY A 57 -10.463 8.848 3.336 1.00 0.47 H new ATOM 1087 N LYS A 58 -8.584 10.558 3.232 1.00 0.49 N ATOM 1088 CA LYS A 58 -7.711 11.740 3.179 1.00 0.50 C ATOM 1089 C LYS A 58 -6.309 11.410 2.670 1.00 0.46 C ATOM 1090 O LYS A 58 -5.630 12.283 2.139 1.00 0.46 O ATOM 1091 CB LYS A 58 -7.645 12.448 4.541 1.00 0.54 C ATOM 1092 CG LYS A 58 -7.730 11.519 5.744 1.00 0.54 C ATOM 1093 CD LYS A 58 -6.439 10.750 5.946 1.00 0.51 C ATOM 1094 CE LYS A 58 -6.705 9.335 6.421 1.00 0.49 C ATOM 1095 NZ LYS A 58 -7.017 9.284 7.876 1.00 0.55 N ATOM 0 H LYS A 58 -8.653 10.122 4.152 1.00 0.49 H new ATOM 0 HA LYS A 58 -8.160 12.424 2.458 1.00 0.50 H new ATOM 0 HB2 LYS A 58 -6.713 13.011 4.598 1.00 0.54 H new ATOM 0 HB3 LYS A 58 -8.458 13.171 4.599 1.00 0.54 H new ATOM 0 HG2 LYS A 58 -7.952 12.101 6.639 1.00 0.54 H new ATOM 0 HG3 LYS A 58 -8.554 10.819 5.606 1.00 0.54 H new ATOM 0 HD2 LYS A 58 -5.880 10.722 5.010 1.00 0.51 H new ATOM 0 HD3 LYS A 58 -5.815 11.268 6.674 1.00 0.51 H new ATOM 0 HE2 LYS A 58 -7.537 8.914 5.857 1.00 0.49 H new ATOM 0 HE3 LYS A 58 -5.833 8.714 6.215 1.00 0.49 H new ATOM 0 HZ1 LYS A 58 -7.192 8.299 8.159 1.00 0.55 H new ATOM 0 HZ2 LYS A 58 -6.213 9.662 8.417 1.00 0.55 H new ATOM 0 HZ3 LYS A 58 -7.864 9.856 8.070 1.00 0.55 H new ATOM 1109 N HIS A 59 -5.882 10.159 2.830 1.00 0.42 N ATOM 1110 CA HIS A 59 -4.580 9.717 2.341 1.00 0.39 C ATOM 1111 C HIS A 59 -4.580 9.654 0.819 1.00 0.36 C ATOM 1112 O HIS A 59 -3.528 9.711 0.181 1.00 0.34 O ATOM 1113 CB HIS A 59 -4.237 8.342 2.913 1.00 0.36 C ATOM 1114 CG HIS A 59 -3.661 8.387 4.294 1.00 0.38 C ATOM 1115 ND1 HIS A 59 -2.552 9.134 4.625 1.00 0.38 N ATOM 1116 CD2 HIS A 59 -4.047 7.766 5.432 1.00 0.39 C ATOM 1117 CE1 HIS A 59 -2.278 8.970 5.908 1.00 0.40 C ATOM 1118 NE2 HIS A 59 -3.172 8.146 6.419 1.00 0.41 N ATOM 0 H HIS A 59 -6.423 9.431 3.297 1.00 0.42 H new ATOM 0 HA HIS A 59 -3.828 10.436 2.667 1.00 0.39 H new ATOM 0 HB2 HIS A 59 -5.138 7.729 2.925 1.00 0.36 H new ATOM 0 HB3 HIS A 59 -3.526 7.850 2.249 1.00 0.36 H new ATOM 0 HD2 HIS A 59 -4.887 7.096 5.543 1.00 0.39 H new ATOM 0 HE1 HIS A 59 -1.462 9.431 6.445 1.00 0.40 H new ATOM 0 HE2 HIS A 59 -3.208 7.840 7.391 1.00 0.41 H new ATOM 1126 N ALA A 60 -5.774 9.539 0.248 1.00 0.37 N ATOM 1127 CA ALA A 60 -5.937 9.458 -1.197 1.00 0.36 C ATOM 1128 C ALA A 60 -5.328 10.664 -1.903 1.00 0.37 C ATOM 1129 O ALA A 60 -5.691 11.807 -1.628 1.00 0.41 O ATOM 1130 CB ALA A 60 -7.411 9.334 -1.546 1.00 0.38 C ATOM 0 H ALA A 60 -6.649 9.500 0.770 1.00 0.37 H new ATOM 0 HA ALA A 60 -5.406 8.572 -1.544 1.00 0.36 H new ATOM 0 HB1 ALA A 60 -7.525 9.274 -2.628 1.00 0.38 H new ATOM 0 HB2 ALA A 60 -7.819 8.433 -1.088 1.00 0.38 H new ATOM 0 HB3 ALA A 60 -7.948 10.206 -1.173 1.00 0.38 H new ATOM 1136 N GLY A 61 -4.399 10.395 -2.817 1.00 0.35 N ATOM 1137 CA GLY A 61 -3.750 11.462 -3.562 1.00 0.37 C ATOM 1138 C GLY A 61 -3.055 12.478 -2.671 1.00 0.39 C ATOM 1139 O GLY A 61 -2.589 13.512 -3.148 1.00 0.41 O ATOM 0 H GLY A 61 -4.083 9.455 -3.056 1.00 0.35 H new ATOM 0 HA2 GLY A 61 -3.020 11.027 -4.245 1.00 0.37 H new ATOM 0 HA3 GLY A 61 -4.493 11.973 -4.174 1.00 0.37 H new ATOM 1143 N SER A 62 -2.983 12.185 -1.376 1.00 0.39 N ATOM 1144 CA SER A 62 -2.343 13.089 -0.425 1.00 0.41 C ATOM 1145 C SER A 62 -0.836 12.866 -0.382 1.00 0.39 C ATOM 1146 O SER A 62 -0.086 13.727 0.082 1.00 0.41 O ATOM 1147 CB SER A 62 -2.937 12.897 0.972 1.00 0.42 C ATOM 1148 OG SER A 62 -2.133 13.522 1.958 1.00 0.44 O ATOM 0 H SER A 62 -3.358 11.332 -0.962 1.00 0.39 H new ATOM 0 HA SER A 62 -2.529 14.110 -0.757 1.00 0.41 H new ATOM 0 HB2 SER A 62 -3.944 13.312 1.003 1.00 0.42 H new ATOM 0 HB3 SER A 62 -3.024 11.833 1.190 1.00 0.42 H new ATOM 0 HG SER A 62 -2.534 13.386 2.842 1.00 0.44 H new ATOM 1154 N ILE A 63 -0.391 11.711 -0.867 1.00 0.35 N ATOM 1155 CA ILE A 63 1.028 11.385 -0.873 1.00 0.33 C ATOM 1156 C ILE A 63 1.771 12.139 -1.969 1.00 0.35 C ATOM 1157 O ILE A 63 1.164 12.794 -2.816 1.00 0.37 O ATOM 1158 CB ILE A 63 1.266 9.873 -1.053 1.00 0.29 C ATOM 1159 CG1 ILE A 63 0.399 9.325 -2.183 1.00 0.28 C ATOM 1160 CG2 ILE A 63 0.981 9.136 0.247 1.00 0.28 C ATOM 1161 CD1 ILE A 63 1.199 8.793 -3.352 1.00 0.26 C ATOM 0 H ILE A 63 -0.993 10.987 -1.260 1.00 0.35 H new ATOM 0 HA ILE A 63 1.416 11.691 0.098 1.00 0.33 H new ATOM 0 HB ILE A 63 2.311 9.715 -1.318 1.00 0.29 H new ATOM 0 HG12 ILE A 63 -0.233 8.527 -1.792 1.00 0.28 H new ATOM 0 HG13 ILE A 63 -0.265 10.114 -2.536 1.00 0.28 H new ATOM 0 HG21 ILE A 63 1.153 8.069 0.106 1.00 0.28 H new ATOM 0 HG22 ILE A 63 1.642 9.510 1.029 1.00 0.28 H new ATOM 0 HG23 ILE A 63 -0.056 9.301 0.539 1.00 0.28 H new ATOM 0 HD11 ILE A 63 0.519 8.420 -4.118 1.00 0.26 H new ATOM 0 HD12 ILE A 63 1.811 9.593 -3.768 1.00 0.26 H new ATOM 0 HD13 ILE A 63 1.844 7.982 -3.013 1.00 0.26 H new ATOM 1173 N LYS A 64 3.093 12.036 -1.933 1.00 0.34 N ATOM 1174 CA LYS A 64 3.957 12.706 -2.894 1.00 0.36 C ATOM 1175 C LYS A 64 4.470 11.730 -3.949 1.00 0.34 C ATOM 1176 O LYS A 64 4.050 10.576 -4.009 1.00 0.31 O ATOM 1177 CB LYS A 64 5.135 13.366 -2.176 1.00 0.38 C ATOM 1178 CG LYS A 64 4.936 14.852 -1.921 1.00 0.41 C ATOM 1179 CD LYS A 64 6.220 15.510 -1.439 1.00 0.43 C ATOM 1180 CE LYS A 64 5.932 16.687 -0.522 1.00 0.46 C ATOM 1181 NZ LYS A 64 7.156 17.149 0.191 1.00 0.47 N ATOM 0 H LYS A 64 3.596 11.486 -1.237 1.00 0.34 H new ATOM 0 HA LYS A 64 3.368 13.473 -3.397 1.00 0.36 H new ATOM 0 HB2 LYS A 64 5.299 12.861 -1.224 1.00 0.38 H new ATOM 0 HB3 LYS A 64 6.038 13.225 -2.771 1.00 0.38 H new ATOM 0 HG2 LYS A 64 4.598 15.338 -2.837 1.00 0.41 H new ATOM 0 HG3 LYS A 64 4.152 14.993 -1.177 1.00 0.41 H new ATOM 0 HD2 LYS A 64 6.830 14.777 -0.911 1.00 0.43 H new ATOM 0 HD3 LYS A 64 6.801 15.849 -2.297 1.00 0.43 H new ATOM 0 HE2 LYS A 64 5.520 17.510 -1.106 1.00 0.46 H new ATOM 0 HE3 LYS A 64 5.173 16.402 0.207 1.00 0.46 H new ATOM 0 HZ1 LYS A 64 6.917 17.953 0.806 1.00 0.47 H new ATOM 0 HZ2 LYS A 64 7.535 16.372 0.769 1.00 0.47 H new ATOM 0 HZ3 LYS A 64 7.871 17.445 -0.503 1.00 0.47 H new ATOM 1195 N GLU A 65 5.382 12.222 -4.775 1.00 0.36 N ATOM 1196 CA GLU A 65 5.988 11.433 -5.841 1.00 0.36 C ATOM 1197 C GLU A 65 7.240 10.769 -5.298 1.00 0.35 C ATOM 1198 O GLU A 65 7.489 10.842 -4.100 1.00 0.34 O ATOM 1199 CB GLU A 65 6.330 12.316 -7.044 1.00 0.40 C ATOM 1200 CG GLU A 65 5.530 11.982 -8.292 1.00 0.40 C ATOM 1201 CD GLU A 65 5.503 13.121 -9.290 1.00 0.44 C ATOM 1202 OE1 GLU A 65 6.578 13.476 -9.817 1.00 0.47 O ATOM 1203 OE2 GLU A 65 4.406 13.661 -9.545 1.00 0.45 O ATOM 0 H GLU A 65 5.724 13.182 -4.726 1.00 0.36 H new ATOM 0 HA GLU A 65 5.282 10.674 -6.179 1.00 0.36 H new ATOM 0 HB2 GLU A 65 6.156 13.359 -6.779 1.00 0.40 H new ATOM 0 HB3 GLU A 65 7.392 12.217 -7.266 1.00 0.40 H new ATOM 0 HG2 GLU A 65 5.957 11.098 -8.767 1.00 0.40 H new ATOM 0 HG3 GLU A 65 4.509 11.729 -8.007 1.00 0.40 H new ATOM 1210 N GLY A 66 8.006 10.111 -6.163 1.00 0.36 N ATOM 1211 CA GLY A 66 9.190 9.389 -5.716 1.00 0.35 C ATOM 1212 C GLY A 66 9.994 10.120 -4.655 1.00 0.36 C ATOM 1213 O GLY A 66 10.963 10.820 -4.948 1.00 0.39 O ATOM 0 H GLY A 66 7.830 10.063 -7.167 1.00 0.36 H new ATOM 0 HA2 GLY A 66 8.885 8.419 -5.323 1.00 0.35 H new ATOM 0 HA3 GLY A 66 9.832 9.197 -6.576 1.00 0.35 H new ATOM 1217 N GLN A 67 9.559 9.934 -3.408 1.00 0.34 N ATOM 1218 CA GLN A 67 10.194 10.524 -2.238 1.00 0.35 C ATOM 1219 C GLN A 67 10.267 9.474 -1.131 1.00 0.32 C ATOM 1220 O GLN A 67 9.536 8.484 -1.167 1.00 0.30 O ATOM 1221 CB GLN A 67 9.402 11.747 -1.759 1.00 0.36 C ATOM 1222 CG GLN A 67 7.982 11.429 -1.319 1.00 0.34 C ATOM 1223 CD GLN A 67 7.819 11.440 0.184 1.00 0.33 C ATOM 1224 OE1 GLN A 67 7.409 12.442 0.771 1.00 0.35 O ATOM 1225 NE2 GLN A 67 8.137 10.320 0.815 1.00 0.31 N ATOM 0 H GLN A 67 8.745 9.361 -3.184 1.00 0.34 H new ATOM 0 HA GLN A 67 11.200 10.852 -2.498 1.00 0.35 H new ATOM 0 HB2 GLN A 67 9.934 12.209 -0.928 1.00 0.36 H new ATOM 0 HB3 GLN A 67 9.367 12.482 -2.563 1.00 0.36 H new ATOM 0 HG2 GLN A 67 7.299 12.155 -1.759 1.00 0.34 H new ATOM 0 HG3 GLN A 67 7.698 10.450 -1.704 1.00 0.34 H new ATOM 0 HE21 GLN A 67 8.473 9.515 0.287 1.00 0.31 H new ATOM 0 HE22 GLN A 67 8.046 10.263 1.829 1.00 0.31 H new ATOM 1234 N VAL A 68 11.139 9.680 -0.150 1.00 0.33 N ATOM 1235 CA VAL A 68 11.275 8.719 0.943 1.00 0.31 C ATOM 1236 C VAL A 68 10.153 8.868 1.963 1.00 0.30 C ATOM 1237 O VAL A 68 10.054 9.887 2.647 1.00 0.32 O ATOM 1238 CB VAL A 68 12.624 8.857 1.668 1.00 0.33 C ATOM 1239 CG1 VAL A 68 12.915 7.600 2.476 1.00 0.32 C ATOM 1240 CG2 VAL A 68 13.743 9.137 0.677 1.00 0.36 C ATOM 0 H VAL A 68 11.755 10.491 -0.087 1.00 0.33 H new ATOM 0 HA VAL A 68 11.219 7.732 0.484 1.00 0.31 H new ATOM 0 HB VAL A 68 12.567 9.703 2.353 1.00 0.33 H new ATOM 0 HG11 VAL A 68 13.873 7.708 2.985 1.00 0.32 H new ATOM 0 HG12 VAL A 68 12.126 7.451 3.214 1.00 0.32 H new ATOM 0 HG13 VAL A 68 12.955 6.739 1.808 1.00 0.32 H new ATOM 0 HG21 VAL A 68 14.688 9.231 1.212 1.00 0.36 H new ATOM 0 HG22 VAL A 68 13.810 8.316 -0.037 1.00 0.36 H new ATOM 0 HG23 VAL A 68 13.534 10.065 0.145 1.00 0.36 H new ATOM 1250 N VAL A 69 9.315 7.841 2.063 1.00 0.28 N ATOM 1251 CA VAL A 69 8.201 7.843 3.006 1.00 0.27 C ATOM 1252 C VAL A 69 8.340 6.705 4.004 1.00 0.27 C ATOM 1253 O VAL A 69 9.273 5.908 3.923 1.00 0.27 O ATOM 1254 CB VAL A 69 6.829 7.704 2.304 1.00 0.26 C ATOM 1255 CG1 VAL A 69 6.006 8.972 2.474 1.00 0.28 C ATOM 1256 CG2 VAL A 69 6.993 7.356 0.830 1.00 0.24 C ATOM 0 H VAL A 69 9.387 6.993 1.500 1.00 0.28 H new ATOM 0 HA VAL A 69 8.238 8.806 3.514 1.00 0.27 H new ATOM 0 HB VAL A 69 6.293 6.882 2.779 1.00 0.26 H new ATOM 0 HG11 VAL A 69 5.046 8.852 1.973 1.00 0.28 H new ATOM 0 HG12 VAL A 69 5.841 9.159 3.535 1.00 0.28 H new ATOM 0 HG13 VAL A 69 6.541 9.815 2.036 1.00 0.28 H new ATOM 0 HG21 VAL A 69 6.011 7.265 0.366 1.00 0.24 H new ATOM 0 HG22 VAL A 69 7.559 8.143 0.331 1.00 0.24 H new ATOM 0 HG23 VAL A 69 7.527 6.410 0.737 1.00 0.24 H new ATOM 1266 N LYS A 70 7.408 6.638 4.942 1.00 0.27 N ATOM 1267 CA LYS A 70 7.420 5.592 5.952 1.00 0.28 C ATOM 1268 C LYS A 70 6.006 5.107 6.229 1.00 0.28 C ATOM 1269 O LYS A 70 5.206 5.813 6.848 1.00 0.30 O ATOM 1270 CB LYS A 70 8.060 6.108 7.241 1.00 0.31 C ATOM 1271 CG LYS A 70 8.434 5.005 8.219 1.00 0.32 C ATOM 1272 CD LYS A 70 7.930 5.309 9.620 1.00 0.35 C ATOM 1273 CE LYS A 70 8.525 4.354 10.641 1.00 0.37 C ATOM 1274 NZ LYS A 70 7.998 4.606 12.011 1.00 0.40 N ATOM 0 H LYS A 70 6.633 7.296 5.025 1.00 0.27 H new ATOM 0 HA LYS A 70 8.009 4.755 5.577 1.00 0.28 H new ATOM 0 HB2 LYS A 70 8.954 6.678 6.990 1.00 0.31 H new ATOM 0 HB3 LYS A 70 7.370 6.796 7.729 1.00 0.31 H new ATOM 0 HG2 LYS A 70 8.016 4.058 7.878 1.00 0.32 H new ATOM 0 HG3 LYS A 70 9.517 4.886 8.239 1.00 0.32 H new ATOM 0 HD2 LYS A 70 8.186 6.335 9.886 1.00 0.35 H new ATOM 0 HD3 LYS A 70 6.843 5.236 9.641 1.00 0.35 H new ATOM 0 HE2 LYS A 70 8.303 3.327 10.350 1.00 0.37 H new ATOM 0 HE3 LYS A 70 9.610 4.457 10.645 1.00 0.37 H new ATOM 0 HZ1 LYS A 70 8.429 3.934 12.678 1.00 0.40 H new ATOM 0 HZ2 LYS A 70 8.232 5.577 12.300 1.00 0.40 H new ATOM 0 HZ3 LYS A 70 6.965 4.483 12.014 1.00 0.40 H new ATOM 1288 N ILE A 71 5.701 3.900 5.769 1.00 0.26 N ATOM 1289 CA ILE A 71 4.385 3.320 5.976 1.00 0.26 C ATOM 1290 C ILE A 71 4.252 2.805 7.399 1.00 0.29 C ATOM 1291 O ILE A 71 5.204 2.274 7.970 1.00 0.30 O ATOM 1292 CB ILE A 71 4.108 2.170 4.993 1.00 0.23 C ATOM 1293 CG1 ILE A 71 4.284 2.661 3.550 1.00 0.21 C ATOM 1294 CG2 ILE A 71 2.709 1.605 5.215 1.00 0.24 C ATOM 1295 CD1 ILE A 71 3.117 3.475 3.027 1.00 0.20 C ATOM 0 H ILE A 71 6.348 3.306 5.251 1.00 0.26 H new ATOM 0 HA ILE A 71 3.653 4.108 5.798 1.00 0.26 H new ATOM 0 HB ILE A 71 4.824 1.368 5.172 1.00 0.23 H new ATOM 0 HG12 ILE A 71 5.190 3.265 3.491 1.00 0.21 H new ATOM 0 HG13 ILE A 71 4.432 1.799 2.900 1.00 0.21 H new ATOM 0 HG21 ILE A 71 2.529 0.792 4.511 1.00 0.24 H new ATOM 0 HG22 ILE A 71 2.627 1.228 6.234 1.00 0.24 H new ATOM 0 HG23 ILE A 71 1.970 2.391 5.058 1.00 0.24 H new ATOM 0 HD11 ILE A 71 3.319 3.784 2.002 1.00 0.20 H new ATOM 0 HD12 ILE A 71 2.211 2.869 3.051 1.00 0.20 H new ATOM 0 HD13 ILE A 71 2.980 4.358 3.652 1.00 0.20 H new ATOM 1307 N GLU A 72 3.067 2.967 7.965 1.00 0.31 N ATOM 1308 CA GLU A 72 2.806 2.537 9.315 1.00 0.34 C ATOM 1309 C GLU A 72 1.777 1.426 9.334 1.00 0.35 C ATOM 1310 O GLU A 72 1.308 0.963 8.296 1.00 0.33 O ATOM 1311 CB GLU A 72 2.325 3.713 10.165 1.00 0.38 C ATOM 1312 CG GLU A 72 2.920 3.737 11.564 1.00 0.41 C ATOM 1313 CD GLU A 72 1.894 3.441 12.639 1.00 0.44 C ATOM 1314 OE1 GLU A 72 0.918 4.214 12.756 1.00 0.46 O ATOM 1315 OE2 GLU A 72 2.065 2.440 13.366 1.00 0.46 O ATOM 0 H GLU A 72 2.269 3.398 7.499 1.00 0.31 H new ATOM 0 HA GLU A 72 3.736 2.155 9.736 1.00 0.34 H new ATOM 0 HB2 GLU A 72 2.576 4.644 9.657 1.00 0.38 H new ATOM 0 HB3 GLU A 72 1.238 3.674 10.242 1.00 0.38 H new ATOM 0 HG2 GLU A 72 3.726 3.005 11.625 1.00 0.41 H new ATOM 0 HG3 GLU A 72 3.363 4.715 11.750 1.00 0.41 H new ATOM 1322 N ASN A 73 1.444 1.016 10.536 1.00 0.39 N ATOM 1323 CA ASN A 73 0.477 -0.037 10.775 1.00 0.40 C ATOM 1324 C ASN A 73 -0.821 0.189 10.010 1.00 0.39 C ATOM 1325 O ASN A 73 -1.639 1.025 10.395 1.00 0.41 O ATOM 1326 CB ASN A 73 0.172 -0.048 12.261 1.00 0.45 C ATOM 1327 CG ASN A 73 0.041 -1.444 12.832 1.00 0.47 C ATOM 1328 OD1 ASN A 73 1.026 -2.175 12.949 1.00 0.46 O ATOM 1329 ND2 ASN A 73 -1.179 -1.822 13.195 1.00 0.49 N ATOM 0 H ASN A 73 1.841 1.409 11.389 1.00 0.39 H new ATOM 0 HA ASN A 73 0.898 -0.983 10.434 1.00 0.40 H new ATOM 0 HB2 ASN A 73 0.963 0.482 12.792 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -0.754 0.499 12.440 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -1.329 -2.751 13.589 1.00 0.49 H new ATOM 0 HD22 ASN A 73 -1.966 -1.184 13.080 1.00 0.49 H new ATOM 1336 N ALA A 74 -0.948 -0.565 8.923 1.00 0.36 N ATOM 1337 CA ALA A 74 -2.139 -0.531 8.115 1.00 0.35 C ATOM 1338 C ALA A 74 -2.705 -1.932 7.989 1.00 0.36 C ATOM 1339 O ALA A 74 -3.310 -2.439 8.936 1.00 0.40 O ATOM 1340 CB ALA A 74 -1.818 0.041 6.748 1.00 0.31 C ATOM 0 H ALA A 74 -0.230 -1.208 8.588 1.00 0.36 H new ATOM 0 HA ALA A 74 -2.884 0.108 8.589 1.00 0.35 H new ATOM 0 HB1 ALA A 74 -2.723 0.064 6.141 1.00 0.31 H new ATOM 0 HB2 ALA A 74 -1.430 1.053 6.859 1.00 0.31 H new ATOM 0 HB3 ALA A 74 -1.070 -0.583 6.259 1.00 0.31 H new ATOM 1346 N TRP A 75 -2.445 -2.575 6.852 1.00 0.33 N ATOM 1347 CA TRP A 75 -2.923 -3.927 6.604 1.00 0.34 C ATOM 1348 C TRP A 75 -2.588 -4.382 5.208 1.00 0.31 C ATOM 1349 O TRP A 75 -2.091 -3.615 4.383 1.00 0.28 O ATOM 1350 CB TRP A 75 -4.431 -4.025 6.809 1.00 0.37 C ATOM 1351 CG TRP A 75 -5.231 -3.000 6.057 1.00 0.36 C ATOM 1352 CD1 TRP A 75 -5.621 -3.044 4.750 1.00 0.34 C ATOM 1353 CD2 TRP A 75 -5.752 -1.775 6.580 1.00 0.38 C ATOM 1354 NE1 TRP A 75 -6.357 -1.938 4.453 1.00 0.34 N ATOM 1355 CE2 TRP A 75 -6.446 -1.153 5.557 1.00 0.37 C ATOM 1356 CE3 TRP A 75 -5.695 -1.151 7.811 1.00 0.41 C ATOM 1357 CZ2 TRP A 75 -7.077 0.049 5.713 1.00 0.39 C ATOM 1358 CZ3 TRP A 75 -6.325 0.064 7.978 1.00 0.44 C ATOM 1359 CH2 TRP A 75 -7.012 0.657 6.921 1.00 0.42 C ATOM 0 H TRP A 75 -1.902 -2.176 6.086 1.00 0.33 H new ATOM 0 HA TRP A 75 -2.419 -4.575 7.321 1.00 0.34 H new ATOM 0 HB2 TRP A 75 -4.762 -5.019 6.507 1.00 0.37 H new ATOM 0 HB3 TRP A 75 -4.647 -3.927 7.873 1.00 0.37 H new ATOM 0 HD1 TRP A 75 -5.382 -3.836 4.056 1.00 0.34 H new ATOM 0 HE1 TRP A 75 -6.775 -1.732 3.546 1.00 0.34 H new ATOM 0 HE3 TRP A 75 -5.164 -1.609 8.632 1.00 0.41 H new ATOM 0 HZ2 TRP A 75 -7.614 0.503 4.893 1.00 0.39 H new ATOM 0 HZ3 TRP A 75 -6.286 0.560 8.936 1.00 0.44 H new ATOM 0 HH2 TRP A 75 -7.497 1.611 7.067 1.00 0.42 H new ATOM 1370 N THR A 76 -2.877 -5.642 4.959 1.00 0.32 N ATOM 1371 CA THR A 76 -2.629 -6.235 3.668 1.00 0.30 C ATOM 1372 C THR A 76 -3.816 -7.065 3.229 1.00 0.33 C ATOM 1373 O THR A 76 -4.357 -7.859 3.995 1.00 0.36 O ATOM 1374 CB THR A 76 -1.381 -7.122 3.677 1.00 0.31 C ATOM 1375 OG1 THR A 76 -1.344 -7.894 4.883 1.00 0.36 O ATOM 1376 CG2 THR A 76 -0.120 -6.290 3.562 1.00 0.29 C ATOM 0 H THR A 76 -3.288 -6.278 5.643 1.00 0.32 H new ATOM 0 HA THR A 76 -2.467 -5.415 2.969 1.00 0.30 H new ATOM 0 HB THR A 76 -1.430 -7.789 2.817 1.00 0.31 H new ATOM 0 HG1 THR A 76 -0.500 -8.391 4.928 1.00 0.36 H new ATOM 0 HG21 THR A 76 0.751 -6.946 3.571 1.00 0.29 H new ATOM 0 HG22 THR A 76 -0.140 -5.726 2.629 1.00 0.29 H new ATOM 0 HG23 THR A 76 -0.062 -5.599 4.403 1.00 0.29 H new ATOM 1384 N THR A 77 -4.213 -6.867 1.990 1.00 0.32 N ATOM 1385 CA THR A 77 -5.333 -7.589 1.421 1.00 0.36 C ATOM 1386 C THR A 77 -4.895 -8.210 0.096 1.00 0.32 C ATOM 1387 O THR A 77 -4.300 -7.535 -0.739 1.00 0.26 O ATOM 1388 CB THR A 77 -6.549 -6.653 1.215 1.00 0.38 C ATOM 1389 OG1 THR A 77 -6.381 -5.895 0.014 1.00 0.41 O ATOM 1390 CG2 THR A 77 -6.717 -5.694 2.402 1.00 0.37 C ATOM 0 H THR A 77 -3.772 -6.205 1.351 1.00 0.32 H new ATOM 0 HA THR A 77 -5.643 -8.376 2.108 1.00 0.36 H new ATOM 0 HB THR A 77 -7.443 -7.273 1.140 1.00 0.38 H new ATOM 0 HG1 THR A 77 -7.154 -5.306 -0.112 1.00 0.41 H new ATOM 0 HG21 THR A 77 -7.579 -5.049 2.229 1.00 0.37 H new ATOM 0 HG22 THR A 77 -6.871 -6.269 3.315 1.00 0.37 H new ATOM 0 HG23 THR A 77 -5.821 -5.082 2.505 1.00 0.37 H new ATOM 1398 N ALA A 78 -5.168 -9.495 -0.092 1.00 0.38 N ATOM 1399 CA ALA A 78 -4.746 -10.180 -1.311 1.00 0.37 C ATOM 1400 C ALA A 78 -5.784 -10.091 -2.427 1.00 0.35 C ATOM 1401 O ALA A 78 -6.822 -10.749 -2.376 1.00 0.39 O ATOM 1402 CB ALA A 78 -4.422 -11.635 -1.003 1.00 0.43 C ATOM 0 H ALA A 78 -5.673 -10.080 0.574 1.00 0.38 H new ATOM 0 HA ALA A 78 -3.852 -9.673 -1.673 1.00 0.37 H new ATOM 0 HB1 ALA A 78 -4.108 -12.139 -1.917 1.00 0.43 H new ATOM 0 HB2 ALA A 78 -3.618 -11.681 -0.269 1.00 0.43 H new ATOM 0 HB3 ALA A 78 -5.308 -12.128 -0.603 1.00 0.43 H new ATOM 1408 N PHE A 79 -5.492 -9.266 -3.436 1.00 0.29 N ATOM 1409 CA PHE A 79 -6.355 -9.108 -4.572 1.00 0.26 C ATOM 1410 C PHE A 79 -5.848 -9.920 -5.749 1.00 0.27 C ATOM 1411 O PHE A 79 -4.692 -9.783 -6.144 1.00 0.27 O ATOM 1412 CB PHE A 79 -6.429 -7.646 -4.978 1.00 0.23 C ATOM 1413 CG PHE A 79 -7.686 -7.362 -5.713 1.00 0.22 C ATOM 1414 CD1 PHE A 79 -8.871 -7.330 -5.031 1.00 0.27 C ATOM 1415 CD2 PHE A 79 -7.691 -7.183 -7.074 1.00 0.25 C ATOM 1416 CE1 PHE A 79 -10.046 -7.121 -5.685 1.00 0.31 C ATOM 1417 CE2 PHE A 79 -8.864 -6.966 -7.738 1.00 0.29 C ATOM 1418 CZ PHE A 79 -10.050 -6.935 -7.043 1.00 0.31 C ATOM 0 H PHE A 79 -4.647 -8.696 -3.473 1.00 0.29 H new ATOM 0 HA PHE A 79 -7.347 -9.463 -4.291 1.00 0.26 H new ATOM 0 HB2 PHE A 79 -6.372 -7.015 -4.091 1.00 0.23 H new ATOM 0 HB3 PHE A 79 -5.573 -7.395 -5.604 1.00 0.23 H new ATOM 0 HD1 PHE A 79 -8.874 -7.472 -3.960 1.00 0.27 H new ATOM 0 HD2 PHE A 79 -6.761 -7.214 -7.623 1.00 0.25 H new ATOM 0 HE1 PHE A 79 -10.975 -7.102 -5.134 1.00 0.31 H new ATOM 0 HE2 PHE A 79 -8.860 -6.819 -8.808 1.00 0.29 H new ATOM 0 HZ PHE A 79 -10.980 -6.765 -7.565 1.00 0.31 H new ATOM 1428 N LYS A 80 -6.722 -10.760 -6.302 1.00 0.30 N ATOM 1429 CA LYS A 80 -6.387 -11.598 -7.458 1.00 0.32 C ATOM 1430 C LYS A 80 -5.241 -12.573 -7.159 1.00 0.34 C ATOM 1431 O LYS A 80 -4.640 -13.133 -8.079 1.00 0.36 O ATOM 1432 CB LYS A 80 -6.040 -10.719 -8.665 1.00 0.31 C ATOM 1433 CG LYS A 80 -7.147 -9.752 -9.042 1.00 0.30 C ATOM 1434 CD LYS A 80 -8.384 -10.460 -9.565 1.00 0.33 C ATOM 1435 CE LYS A 80 -9.487 -9.461 -9.869 1.00 0.33 C ATOM 1436 NZ LYS A 80 -10.801 -10.123 -10.101 1.00 0.43 N ATOM 0 H LYS A 80 -7.677 -10.880 -5.966 1.00 0.30 H new ATOM 0 HA LYS A 80 -7.266 -12.199 -7.689 1.00 0.32 H new ATOM 0 HB2 LYS A 80 -5.133 -10.155 -8.446 1.00 0.31 H new ATOM 0 HB3 LYS A 80 -5.819 -11.358 -9.520 1.00 0.31 H new ATOM 0 HG2 LYS A 80 -7.415 -9.154 -8.171 1.00 0.30 H new ATOM 0 HG3 LYS A 80 -6.779 -9.062 -9.801 1.00 0.30 H new ATOM 0 HD2 LYS A 80 -8.135 -11.019 -10.467 1.00 0.33 H new ATOM 0 HD3 LYS A 80 -8.734 -11.183 -8.828 1.00 0.33 H new ATOM 0 HE2 LYS A 80 -9.577 -8.760 -9.040 1.00 0.33 H new ATOM 0 HE3 LYS A 80 -9.215 -8.880 -10.750 1.00 0.33 H new ATOM 0 HZ1 LYS A 80 -11.522 -9.402 -10.305 1.00 0.43 H new ATOM 0 HZ2 LYS A 80 -10.724 -10.773 -10.909 1.00 0.43 H new ATOM 0 HZ3 LYS A 80 -11.076 -10.657 -9.252 1.00 0.43 H new ATOM 1450 N GLY A 81 -4.943 -12.781 -5.874 1.00 0.35 N ATOM 1451 CA GLY A 81 -3.885 -13.702 -5.497 1.00 0.38 C ATOM 1452 C GLY A 81 -2.589 -13.000 -5.140 1.00 0.37 C ATOM 1453 O GLY A 81 -1.664 -13.626 -4.624 1.00 0.39 O ATOM 0 H GLY A 81 -5.416 -12.328 -5.092 1.00 0.35 H new ATOM 0 HA2 GLY A 81 -4.215 -14.298 -4.646 1.00 0.38 H new ATOM 0 HA3 GLY A 81 -3.703 -14.394 -6.319 1.00 0.38 H new ATOM 1457 N GLN A 82 -2.516 -11.699 -5.415 1.00 0.34 N ATOM 1458 CA GLN A 82 -1.330 -10.915 -5.089 1.00 0.33 C ATOM 1459 C GLN A 82 -1.596 -10.088 -3.843 1.00 0.30 C ATOM 1460 O GLN A 82 -2.688 -9.555 -3.675 1.00 0.29 O ATOM 1461 CB GLN A 82 -0.921 -9.972 -6.228 1.00 0.32 C ATOM 1462 CG GLN A 82 -1.842 -9.980 -7.440 1.00 0.31 C ATOM 1463 CD GLN A 82 -2.265 -8.580 -7.857 1.00 0.27 C ATOM 1464 OE1 GLN A 82 -2.412 -8.293 -9.044 1.00 0.28 O ATOM 1465 NE2 GLN A 82 -2.477 -7.705 -6.877 1.00 0.24 N ATOM 0 H GLN A 82 -3.263 -11.168 -5.862 1.00 0.34 H new ATOM 0 HA GLN A 82 -0.514 -11.618 -4.924 1.00 0.33 H new ATOM 0 HB2 GLN A 82 -0.871 -8.956 -5.837 1.00 0.32 H new ATOM 0 HB3 GLN A 82 0.085 -10.237 -6.554 1.00 0.32 H new ATOM 0 HG2 GLN A 82 -1.336 -10.467 -8.274 1.00 0.31 H new ATOM 0 HG3 GLN A 82 -2.729 -10.572 -7.215 1.00 0.31 H new ATOM 0 HE21 GLN A 82 -2.343 -7.985 -5.905 1.00 0.24 H new ATOM 0 HE22 GLN A 82 -2.773 -6.754 -7.097 1.00 0.24 H new ATOM 1474 N VAL A 83 -0.600 -9.972 -2.972 1.00 0.31 N ATOM 1475 CA VAL A 83 -0.767 -9.193 -1.753 1.00 0.30 C ATOM 1476 C VAL A 83 -0.801 -7.701 -2.080 1.00 0.26 C ATOM 1477 O VAL A 83 -0.221 -7.260 -3.074 1.00 0.25 O ATOM 1478 CB VAL A 83 0.357 -9.463 -0.729 1.00 0.33 C ATOM 1479 CG1 VAL A 83 -0.021 -8.925 0.640 1.00 0.32 C ATOM 1480 CG2 VAL A 83 0.682 -10.947 -0.655 1.00 0.38 C ATOM 0 H VAL A 83 0.319 -10.401 -3.085 1.00 0.31 H new ATOM 0 HA VAL A 83 -1.712 -9.500 -1.306 1.00 0.30 H new ATOM 0 HB VAL A 83 1.252 -8.939 -1.066 1.00 0.33 H new ATOM 0 HG11 VAL A 83 0.785 -9.126 1.345 1.00 0.32 H new ATOM 0 HG12 VAL A 83 -0.186 -7.850 0.575 1.00 0.32 H new ATOM 0 HG13 VAL A 83 -0.933 -9.412 0.983 1.00 0.32 H new ATOM 0 HG21 VAL A 83 1.477 -11.110 0.073 1.00 0.38 H new ATOM 0 HG22 VAL A 83 -0.207 -11.500 -0.351 1.00 0.38 H new ATOM 0 HG23 VAL A 83 1.010 -11.297 -1.634 1.00 0.38 H new ATOM 1490 N GLN A 84 -1.471 -6.925 -1.237 1.00 0.24 N ATOM 1491 CA GLN A 84 -1.586 -5.490 -1.457 1.00 0.21 C ATOM 1492 C GLN A 84 -1.520 -4.751 -0.130 1.00 0.21 C ATOM 1493 O GLN A 84 -1.776 -5.330 0.922 1.00 0.25 O ATOM 1494 CB GLN A 84 -2.894 -5.172 -2.186 1.00 0.20 C ATOM 1495 CG GLN A 84 -2.829 -3.935 -3.065 1.00 0.26 C ATOM 1496 CD GLN A 84 -4.110 -3.719 -3.844 1.00 0.30 C ATOM 1497 OE1 GLN A 84 -4.254 -4.196 -4.970 1.00 0.33 O ATOM 1498 NE2 GLN A 84 -5.054 -3.006 -3.244 1.00 0.37 N ATOM 0 H GLN A 84 -1.941 -7.264 -0.398 1.00 0.24 H new ATOM 0 HA GLN A 84 -0.754 -5.159 -2.079 1.00 0.21 H new ATOM 0 HB2 GLN A 84 -3.172 -6.028 -2.801 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -3.686 -5.039 -1.448 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -2.631 -3.061 -2.445 1.00 0.26 H new ATOM 0 HG3 GLN A 84 -1.994 -4.029 -3.760 1.00 0.26 H new ATOM 0 HE21 GLN A 84 -4.892 -2.629 -2.310 1.00 0.37 H new ATOM 0 HE22 GLN A 84 -5.941 -2.834 -3.717 1.00 0.37 H new ATOM 1507 N LEU A 85 -1.183 -3.473 -0.187 1.00 0.19 N ATOM 1508 CA LEU A 85 -1.063 -2.662 1.015 1.00 0.20 C ATOM 1509 C LEU A 85 -1.962 -1.438 0.933 1.00 0.19 C ATOM 1510 O LEU A 85 -2.252 -0.949 -0.154 1.00 0.17 O ATOM 1511 CB LEU A 85 0.387 -2.235 1.184 1.00 0.19 C ATOM 1512 CG LEU A 85 0.945 -2.329 2.603 1.00 0.22 C ATOM 1513 CD1 LEU A 85 2.111 -3.302 2.652 1.00 0.25 C ATOM 1514 CD2 LEU A 85 1.374 -0.957 3.087 1.00 0.22 C ATOM 0 H LEU A 85 -0.987 -2.973 -1.054 1.00 0.19 H new ATOM 0 HA LEU A 85 -1.376 -3.253 1.876 1.00 0.20 H new ATOM 0 HB2 LEU A 85 1.006 -2.848 0.529 1.00 0.19 H new ATOM 0 HB3 LEU A 85 0.485 -1.205 0.842 1.00 0.19 H new ATOM 0 HG LEU A 85 0.162 -2.701 3.263 1.00 0.22 H new ATOM 0 HD11 LEU A 85 2.497 -3.357 3.670 1.00 0.25 H new ATOM 0 HD12 LEU A 85 1.774 -4.290 2.338 1.00 0.25 H new ATOM 0 HD13 LEU A 85 2.900 -2.958 1.983 1.00 0.25 H new ATOM 0 HD21 LEU A 85 1.770 -1.036 4.099 1.00 0.22 H new ATOM 0 HD22 LEU A 85 2.145 -0.562 2.425 1.00 0.22 H new ATOM 0 HD23 LEU A 85 0.515 -0.285 3.085 1.00 0.22 H new ATOM 1526 N ASN A 86 -2.415 -0.957 2.087 1.00 0.21 N ATOM 1527 CA ASN A 86 -3.295 0.211 2.142 1.00 0.22 C ATOM 1528 C ASN A 86 -2.878 1.132 3.244 1.00 0.24 C ATOM 1529 O ASN A 86 -1.961 0.827 3.994 1.00 0.25 O ATOM 1530 CB ASN A 86 -4.727 -0.223 2.427 1.00 0.25 C ATOM 1531 CG ASN A 86 -5.200 -1.246 1.451 1.00 0.25 C ATOM 1532 OD1 ASN A 86 -5.919 -0.933 0.512 1.00 0.29 O ATOM 1533 ND2 ASN A 86 -4.776 -2.473 1.671 1.00 0.26 N ATOM 0 H ASN A 86 -2.189 -1.356 2.998 1.00 0.21 H new ATOM 0 HA ASN A 86 -3.230 0.718 1.179 1.00 0.22 H new ATOM 0 HB2 ASN A 86 -4.790 -0.628 3.437 1.00 0.25 H new ATOM 0 HB3 ASN A 86 -5.384 0.646 2.390 1.00 0.25 H new ATOM 0 HD21 ASN A 86 -5.046 -3.227 1.039 1.00 0.26 H new ATOM 0 HD22 ASN A 86 -4.177 -2.670 2.473 1.00 0.26 H new ATOM 1540 N ALA A 87 -3.506 2.294 3.304 1.00 0.26 N ATOM 1541 CA ALA A 87 -3.241 3.189 4.402 1.00 0.28 C ATOM 1542 C ALA A 87 -4.515 3.899 4.832 1.00 0.32 C ATOM 1543 O ALA A 87 -5.109 4.664 4.071 1.00 0.33 O ATOM 1544 CB ALA A 87 -2.152 4.187 4.041 1.00 0.27 C ATOM 0 H ALA A 87 -4.185 2.628 2.621 1.00 0.26 H new ATOM 0 HA ALA A 87 -2.882 2.598 5.245 1.00 0.28 H new ATOM 0 HB1 ALA A 87 -1.972 4.850 4.887 1.00 0.27 H new ATOM 0 HB2 ALA A 87 -1.234 3.652 3.797 1.00 0.27 H new ATOM 0 HB3 ALA A 87 -2.469 4.775 3.180 1.00 0.27 H new ATOM 1550 N GLY A 88 -4.914 3.641 6.070 1.00 0.36 N ATOM 1551 CA GLY A 88 -6.099 4.256 6.622 1.00 0.40 C ATOM 1552 C GLY A 88 -5.831 5.108 7.848 1.00 0.44 C ATOM 1553 O GLY A 88 -4.999 6.014 7.820 1.00 0.43 O ATOM 0 H GLY A 88 -4.429 3.008 6.707 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -6.567 4.875 5.856 1.00 0.40 H new ATOM 0 HA3 GLY A 88 -6.814 3.476 6.882 1.00 0.40 H new ATOM 1557 N SER A 89 -6.553 4.810 8.930 1.00 0.48 N ATOM 1558 CA SER A 89 -6.446 5.578 10.167 1.00 0.52 C ATOM 1559 C SER A 89 -5.240 5.221 11.058 1.00 0.52 C ATOM 1560 O SER A 89 -4.450 6.110 11.382 1.00 0.52 O ATOM 1561 CB SER A 89 -7.731 5.440 10.984 1.00 0.56 C ATOM 1562 OG SER A 89 -8.832 6.023 10.313 1.00 0.56 O ATOM 0 H SER A 89 -7.220 4.039 8.972 1.00 0.48 H new ATOM 0 HA SER A 89 -6.287 6.607 9.845 1.00 0.52 H new ATOM 0 HB2 SER A 89 -7.934 4.386 11.172 1.00 0.56 H new ATOM 0 HB3 SER A 89 -7.600 5.917 11.955 1.00 0.56 H new ATOM 0 HG SER A 89 -9.640 5.918 10.858 1.00 0.56 H new ATOM 1568 N LYS A 90 -5.096 3.940 11.482 1.00 0.51 N ATOM 1569 CA LYS A 90 -3.963 3.559 12.359 1.00 0.51 C ATOM 1570 C LYS A 90 -2.643 3.645 11.607 1.00 0.47 C ATOM 1571 O LYS A 90 -1.582 3.339 12.149 1.00 0.47 O ATOM 1572 CB LYS A 90 -4.110 2.153 12.998 1.00 0.53 C ATOM 1573 CG LYS A 90 -3.944 0.978 12.053 1.00 0.56 C ATOM 1574 CD LYS A 90 -5.268 0.295 11.771 1.00 0.71 C ATOM 1575 CE LYS A 90 -5.146 -1.207 11.930 1.00 0.94 C ATOM 1576 NZ LYS A 90 -6.344 -1.795 12.593 1.00 1.25 N ATOM 0 H LYS A 90 -5.728 3.177 11.240 1.00 0.51 H new ATOM 0 HA LYS A 90 -3.973 4.279 13.177 1.00 0.51 H new ATOM 0 HB2 LYS A 90 -3.375 2.059 13.797 1.00 0.53 H new ATOM 0 HB3 LYS A 90 -5.094 2.086 13.461 1.00 0.53 H new ATOM 0 HG2 LYS A 90 -3.506 1.323 11.117 1.00 0.56 H new ATOM 0 HG3 LYS A 90 -3.248 0.259 12.485 1.00 0.56 H new ATOM 0 HD2 LYS A 90 -6.030 0.676 12.451 1.00 0.71 H new ATOM 0 HD3 LYS A 90 -5.596 0.532 10.759 1.00 0.71 H new ATOM 0 HE2 LYS A 90 -5.011 -1.666 10.951 1.00 0.94 H new ATOM 0 HE3 LYS A 90 -4.256 -1.439 12.516 1.00 0.94 H new ATOM 0 HZ1 LYS A 90 -6.221 -2.824 12.683 1.00 1.25 H new ATOM 0 HZ2 LYS A 90 -6.458 -1.376 13.538 1.00 1.25 H new ATOM 0 HZ3 LYS A 90 -7.190 -1.596 12.021 1.00 1.25 H new ATOM 1590 N THR A 91 -2.728 4.062 10.358 1.00 0.45 N ATOM 1591 CA THR A 91 -1.571 4.215 9.509 1.00 0.40 C ATOM 1592 C THR A 91 -1.199 5.692 9.400 1.00 0.42 C ATOM 1593 O THR A 91 -2.020 6.512 8.982 1.00 0.45 O ATOM 1594 CB THR A 91 -1.883 3.707 8.093 1.00 0.36 C ATOM 1595 OG1 THR A 91 -2.757 2.579 8.161 1.00 0.36 O ATOM 1596 CG2 THR A 91 -0.612 3.338 7.347 1.00 0.32 C ATOM 0 H THR A 91 -3.609 4.305 9.905 1.00 0.45 H new ATOM 0 HA THR A 91 -0.751 3.644 9.945 1.00 0.40 H new ATOM 0 HB THR A 91 -2.373 4.511 7.545 1.00 0.36 H new ATOM 0 HG1 THR A 91 -2.559 2.060 8.969 1.00 0.36 H new ATOM 0 HG21 THR A 91 -0.866 2.982 6.349 1.00 0.32 H new ATOM 0 HG22 THR A 91 0.031 4.215 7.267 1.00 0.32 H new ATOM 0 HG23 THR A 91 -0.087 2.552 7.889 1.00 0.32 H new ATOM 1604 N LYS A 92 0.019 6.036 9.784 1.00 0.41 N ATOM 1605 CA LYS A 92 0.476 7.418 9.693 1.00 0.42 C ATOM 1606 C LYS A 92 1.615 7.513 8.689 1.00 0.39 C ATOM 1607 O LYS A 92 2.707 7.001 8.938 1.00 0.37 O ATOM 1608 CB LYS A 92 0.936 7.931 11.064 1.00 0.46 C ATOM 1609 CG LYS A 92 -0.045 8.894 11.723 1.00 0.51 C ATOM 1610 CD LYS A 92 -1.299 8.179 12.207 1.00 0.55 C ATOM 1611 CE LYS A 92 -2.288 9.150 12.836 1.00 0.60 C ATOM 1612 NZ LYS A 92 -3.478 8.447 13.392 1.00 0.67 N ATOM 0 H LYS A 92 0.707 5.384 10.160 1.00 0.41 H new ATOM 0 HA LYS A 92 -0.354 8.040 9.359 1.00 0.42 H new ATOM 0 HB2 LYS A 92 1.094 7.079 11.726 1.00 0.46 H new ATOM 0 HB3 LYS A 92 1.899 8.429 10.950 1.00 0.46 H new ATOM 0 HG2 LYS A 92 0.440 9.388 12.565 1.00 0.51 H new ATOM 0 HG3 LYS A 92 -0.322 9.673 11.013 1.00 0.51 H new ATOM 0 HD2 LYS A 92 -1.773 7.667 11.370 1.00 0.55 H new ATOM 0 HD3 LYS A 92 -1.025 7.415 12.934 1.00 0.55 H new ATOM 0 HE2 LYS A 92 -1.793 9.709 13.630 1.00 0.60 H new ATOM 0 HE3 LYS A 92 -2.611 9.875 12.089 1.00 0.60 H new ATOM 0 HZ1 LYS A 92 -4.245 9.132 13.547 1.00 0.67 H new ATOM 0 HZ2 LYS A 92 -3.795 7.718 12.722 1.00 0.67 H new ATOM 0 HZ3 LYS A 92 -3.226 8.000 14.296 1.00 0.67 H new ATOM 1626 N ILE A 93 1.365 8.151 7.543 1.00 0.37 N ATOM 1627 CA ILE A 93 2.408 8.267 6.529 1.00 0.35 C ATOM 1628 C ILE A 93 3.156 9.588 6.662 1.00 0.37 C ATOM 1629 O ILE A 93 2.560 10.620 6.971 1.00 0.40 O ATOM 1630 CB ILE A 93 1.834 8.165 5.102 1.00 0.32 C ATOM 1631 CG1 ILE A 93 0.719 7.118 5.044 1.00 0.31 C ATOM 1632 CG2 ILE A 93 2.942 7.827 4.114 1.00 0.29 C ATOM 1633 CD1 ILE A 93 0.015 7.054 3.704 1.00 0.29 C ATOM 0 H ILE A 93 0.474 8.584 7.300 1.00 0.37 H new ATOM 0 HA ILE A 93 3.094 7.437 6.694 1.00 0.35 H new ATOM 0 HB ILE A 93 1.407 9.130 4.828 1.00 0.32 H new ATOM 0 HG12 ILE A 93 1.140 6.138 5.271 1.00 0.31 H new ATOM 0 HG13 ILE A 93 -0.014 7.337 5.820 1.00 0.31 H new ATOM 0 HG21 ILE A 93 2.525 7.757 3.109 1.00 0.29 H new ATOM 0 HG22 ILE A 93 3.702 8.608 4.138 1.00 0.29 H new ATOM 0 HG23 ILE A 93 3.394 6.873 4.386 1.00 0.29 H new ATOM 0 HD11 ILE A 93 -0.762 6.290 3.737 1.00 0.29 H new ATOM 0 HD12 ILE A 93 -0.436 8.021 3.483 1.00 0.29 H new ATOM 0 HD13 ILE A 93 0.736 6.804 2.926 1.00 0.29 H new ATOM 1645 N ALA A 94 4.465 9.549 6.430 1.00 0.36 N ATOM 1646 CA ALA A 94 5.287 10.749 6.525 1.00 0.38 C ATOM 1647 C ALA A 94 6.645 10.545 5.863 1.00 0.36 C ATOM 1648 O ALA A 94 7.154 9.425 5.794 1.00 0.34 O ATOM 1649 CB ALA A 94 5.464 11.158 7.981 1.00 0.41 C ATOM 0 H ALA A 94 4.976 8.704 6.176 1.00 0.36 H new ATOM 0 HA ALA A 94 4.772 11.549 5.994 1.00 0.38 H new ATOM 0 HB1 ALA A 94 6.080 12.056 8.034 1.00 0.41 H new ATOM 0 HB2 ALA A 94 4.489 11.361 8.423 1.00 0.41 H new ATOM 0 HB3 ALA A 94 5.950 10.351 8.529 1.00 0.41 H new ATOM 1655 N GLU A 95 7.227 11.638 5.376 1.00 0.38 N ATOM 1656 CA GLU A 95 8.528 11.587 4.718 1.00 0.37 C ATOM 1657 C GLU A 95 9.624 11.208 5.710 1.00 0.37 C ATOM 1658 O GLU A 95 9.683 11.742 6.816 1.00 0.40 O ATOM 1659 CB GLU A 95 8.849 12.936 4.073 1.00 0.39 C ATOM 1660 CG GLU A 95 7.706 13.505 3.249 1.00 0.40 C ATOM 1661 CD GLU A 95 7.025 14.677 3.928 1.00 0.44 C ATOM 1662 OE1 GLU A 95 7.626 15.771 3.971 1.00 0.46 O ATOM 1663 OE2 GLU A 95 5.888 14.502 4.417 1.00 0.44 O ATOM 0 H GLU A 95 6.817 12.571 5.425 1.00 0.38 H new ATOM 0 HA GLU A 95 8.487 10.823 3.942 1.00 0.37 H new ATOM 0 HB2 GLU A 95 9.112 13.649 4.854 1.00 0.39 H new ATOM 0 HB3 GLU A 95 9.725 12.824 3.435 1.00 0.39 H new ATOM 0 HG2 GLU A 95 8.086 13.823 2.278 1.00 0.40 H new ATOM 0 HG3 GLU A 95 6.972 12.721 3.063 1.00 0.40 H new ATOM 1670 N ALA A 96 10.488 10.286 5.301 1.00 0.36 N ATOM 1671 CA ALA A 96 11.583 9.834 6.152 1.00 0.36 C ATOM 1672 C ALA A 96 12.929 10.017 5.461 1.00 0.37 C ATOM 1673 O ALA A 96 13.066 9.751 4.267 1.00 0.36 O ATOM 1674 CB ALA A 96 11.381 8.375 6.535 1.00 0.34 C ATOM 0 H ALA A 96 10.452 9.837 4.386 1.00 0.36 H new ATOM 0 HA ALA A 96 11.583 10.443 7.056 1.00 0.36 H new ATOM 0 HB1 ALA A 96 12.204 8.048 7.170 1.00 0.34 H new ATOM 0 HB2 ALA A 96 10.441 8.268 7.076 1.00 0.34 H new ATOM 0 HB3 ALA A 96 11.353 7.763 5.634 1.00 0.34 H new ATOM 1680 N SER A 97 13.919 10.480 6.216 1.00 0.39 N ATOM 1681 CA SER A 97 15.257 10.699 5.674 1.00 0.40 C ATOM 1682 C SER A 97 16.244 9.679 6.232 1.00 0.41 C ATOM 1683 O SER A 97 16.386 9.538 7.447 1.00 0.41 O ATOM 1684 CB SER A 97 15.735 12.116 5.994 1.00 0.43 C ATOM 1685 OG SER A 97 15.574 12.410 7.371 1.00 0.44 O ATOM 0 H SER A 97 13.821 10.711 7.205 1.00 0.39 H new ATOM 0 HA SER A 97 15.207 10.576 4.592 1.00 0.40 H new ATOM 0 HB2 SER A 97 16.784 12.221 5.717 1.00 0.43 H new ATOM 0 HB3 SER A 97 15.174 12.836 5.397 1.00 0.43 H new ATOM 0 HG SER A 97 15.816 11.624 7.904 1.00 0.44 H new ATOM 1691 N GLU A 98 16.924 8.968 5.337 1.00 0.41 N ATOM 1692 CA GLU A 98 17.900 7.963 5.740 1.00 0.41 C ATOM 1693 C GLU A 98 19.231 8.182 5.026 1.00 0.44 C ATOM 1694 O GLU A 98 19.555 9.302 4.629 1.00 0.45 O ATOM 1695 CB GLU A 98 17.364 6.559 5.444 1.00 0.40 C ATOM 1696 CG GLU A 98 16.148 6.185 6.275 1.00 0.38 C ATOM 1697 CD GLU A 98 16.505 5.338 7.480 1.00 0.39 C ATOM 1698 OE1 GLU A 98 17.320 4.403 7.329 1.00 0.40 O ATOM 1699 OE2 GLU A 98 15.967 5.608 8.575 1.00 0.39 O ATOM 0 H GLU A 98 16.816 9.070 4.328 1.00 0.41 H new ATOM 0 HA GLU A 98 18.069 8.059 6.813 1.00 0.41 H new ATOM 0 HB2 GLU A 98 17.106 6.493 4.387 1.00 0.40 H new ATOM 0 HB3 GLU A 98 18.155 5.831 5.625 1.00 0.40 H new ATOM 0 HG2 GLU A 98 15.647 7.094 6.609 1.00 0.38 H new ATOM 0 HG3 GLU A 98 15.439 5.642 5.651 1.00 0.38 H new ATOM 1706 N ASP A 99 20.001 7.109 4.867 1.00 0.45 N ATOM 1707 CA ASP A 99 21.297 7.188 4.200 1.00 0.47 C ATOM 1708 C ASP A 99 21.133 7.165 2.684 1.00 0.48 C ATOM 1709 O ASP A 99 22.094 6.923 1.952 1.00 0.50 O ATOM 1710 CB ASP A 99 22.194 6.032 4.646 1.00 0.49 C ATOM 1711 CG ASP A 99 22.835 6.286 5.995 1.00 0.50 C ATOM 1712 OD1 ASP A 99 22.090 6.436 6.987 1.00 0.49 O ATOM 1713 OD2 ASP A 99 24.081 6.337 6.061 1.00 0.52 O ATOM 0 H ASP A 99 19.750 6.175 5.191 1.00 0.45 H new ATOM 0 HA ASP A 99 21.765 8.132 4.481 1.00 0.47 H new ATOM 0 HB2 ASP A 99 21.605 5.116 4.693 1.00 0.49 H new ATOM 0 HB3 ASP A 99 22.973 5.872 3.901 1.00 0.49 H new ATOM 1718 N GLY A 100 19.914 7.416 2.218 1.00 0.45 N ATOM 1719 CA GLY A 100 19.650 7.421 0.791 1.00 0.46 C ATOM 1720 C GLY A 100 18.950 6.160 0.324 1.00 0.44 C ATOM 1721 O GLY A 100 19.594 5.227 -0.155 1.00 0.46 O ATOM 0 H GLY A 100 19.103 7.616 2.804 1.00 0.45 H new ATOM 0 HA2 GLY A 100 19.036 8.287 0.542 1.00 0.46 H new ATOM 0 HA3 GLY A 100 20.591 7.531 0.251 1.00 0.46 H new ATOM 1725 N PHE A 101 17.628 6.133 0.464 1.00 0.41 N ATOM 1726 CA PHE A 101 16.838 4.977 0.051 1.00 0.40 C ATOM 1727 C PHE A 101 16.995 4.724 -1.450 1.00 0.42 C ATOM 1728 O PHE A 101 17.147 5.667 -2.227 1.00 0.43 O ATOM 1729 CB PHE A 101 15.363 5.197 0.393 1.00 0.36 C ATOM 1730 CG PHE A 101 14.747 4.066 1.168 1.00 0.35 C ATOM 1731 CD1 PHE A 101 15.140 3.806 2.472 1.00 0.35 C ATOM 1732 CD2 PHE A 101 13.776 3.263 0.594 1.00 0.33 C ATOM 1733 CE1 PHE A 101 14.578 2.766 3.186 1.00 0.34 C ATOM 1734 CE2 PHE A 101 13.211 2.221 1.302 1.00 0.32 C ATOM 1735 CZ PHE A 101 13.614 1.971 2.599 1.00 0.33 C ATOM 0 H PHE A 101 17.081 6.898 0.860 1.00 0.41 H new ATOM 0 HA PHE A 101 17.202 4.102 0.590 1.00 0.40 H new ATOM 0 HB2 PHE A 101 15.266 6.116 0.970 1.00 0.36 H new ATOM 0 HB3 PHE A 101 14.802 5.340 -0.531 1.00 0.36 H new ATOM 0 HD1 PHE A 101 15.895 4.424 2.935 1.00 0.35 H new ATOM 0 HD2 PHE A 101 13.457 3.454 -0.420 1.00 0.33 H new ATOM 0 HE1 PHE A 101 14.892 2.575 4.202 1.00 0.34 H new ATOM 0 HE2 PHE A 101 12.455 1.602 0.842 1.00 0.32 H new ATOM 0 HZ PHE A 101 13.176 1.154 3.153 1.00 0.33 H new ATOM 1745 N PRO A 102 16.965 3.445 -1.876 1.00 0.42 N ATOM 1746 CA PRO A 102 17.107 3.080 -3.292 1.00 0.44 C ATOM 1747 C PRO A 102 16.156 3.859 -4.193 1.00 0.43 C ATOM 1748 O PRO A 102 15.023 4.154 -3.809 1.00 0.40 O ATOM 1749 CB PRO A 102 16.761 1.591 -3.310 1.00 0.44 C ATOM 1750 CG PRO A 102 17.094 1.109 -1.942 1.00 0.44 C ATOM 1751 CD PRO A 102 16.794 2.256 -1.017 1.00 0.41 C ATOM 0 HA PRO A 102 18.103 3.306 -3.672 1.00 0.44 H new ATOM 0 HB2 PRO A 102 15.708 1.432 -3.540 1.00 0.44 H new ATOM 0 HB3 PRO A 102 17.337 1.060 -4.068 1.00 0.44 H new ATOM 0 HG2 PRO A 102 16.501 0.232 -1.682 1.00 0.44 H new ATOM 0 HG3 PRO A 102 18.142 0.817 -1.875 1.00 0.44 H new ATOM 0 HD2 PRO A 102 15.783 2.193 -0.615 1.00 0.41 H new ATOM 0 HD3 PRO A 102 17.475 2.274 -0.166 1.00 0.41 H new ATOM 1759 N GLU A 103 16.623 4.189 -5.393 1.00 0.46 N ATOM 1760 CA GLU A 103 15.817 4.933 -6.354 1.00 0.46 C ATOM 1761 C GLU A 103 14.741 4.042 -6.967 1.00 0.45 C ATOM 1762 O GLU A 103 14.838 2.816 -6.926 1.00 0.45 O ATOM 1763 CB GLU A 103 16.704 5.513 -7.457 1.00 0.50 C ATOM 1764 CG GLU A 103 16.183 6.819 -8.036 1.00 0.50 C ATOM 1765 CD GLU A 103 17.209 7.523 -8.900 1.00 0.54 C ATOM 1766 OE1 GLU A 103 18.229 7.989 -8.352 1.00 0.55 O ATOM 1767 OE2 GLU A 103 16.994 7.607 -10.129 1.00 0.56 O ATOM 0 H GLU A 103 17.558 3.952 -5.724 1.00 0.46 H new ATOM 0 HA GLU A 103 15.329 5.750 -5.824 1.00 0.46 H new ATOM 0 HB2 GLU A 103 17.705 5.676 -7.058 1.00 0.50 H new ATOM 0 HB3 GLU A 103 16.796 4.781 -8.259 1.00 0.50 H new ATOM 0 HG2 GLU A 103 15.290 6.619 -8.628 1.00 0.50 H new ATOM 0 HG3 GLU A 103 15.884 7.479 -7.222 1.00 0.50 H new ATOM 1774 N SER A 104 13.717 4.670 -7.537 1.00 0.43 N ATOM 1775 CA SER A 104 12.621 3.937 -8.162 1.00 0.42 C ATOM 1776 C SER A 104 13.109 3.145 -9.371 1.00 0.46 C ATOM 1777 O SER A 104 12.526 2.120 -9.728 1.00 0.45 O ATOM 1778 CB SER A 104 11.512 4.904 -8.585 1.00 0.41 C ATOM 1779 OG SER A 104 11.293 5.896 -7.597 1.00 0.39 O ATOM 0 H SER A 104 13.623 5.685 -7.579 1.00 0.43 H new ATOM 0 HA SER A 104 12.225 3.234 -7.429 1.00 0.42 H new ATOM 0 HB2 SER A 104 11.781 5.380 -9.528 1.00 0.41 H new ATOM 0 HB3 SER A 104 10.589 4.350 -8.759 1.00 0.41 H new ATOM 0 HG SER A 104 10.358 5.865 -7.304 1.00 0.39 H new ATOM 1785 N SER A 105 14.179 3.627 -9.996 1.00 0.49 N ATOM 1786 CA SER A 105 14.743 2.963 -11.167 1.00 0.53 C ATOM 1787 C SER A 105 15.649 1.806 -10.756 1.00 0.55 C ATOM 1788 O SER A 105 16.140 1.061 -11.602 1.00 0.58 O ATOM 1789 CB SER A 105 15.527 3.964 -12.017 1.00 0.56 C ATOM 1790 OG SER A 105 14.982 4.063 -13.322 1.00 0.58 O ATOM 0 H SER A 105 14.672 4.473 -9.712 1.00 0.49 H new ATOM 0 HA SER A 105 13.919 2.561 -11.757 1.00 0.53 H new ATOM 0 HB2 SER A 105 15.512 4.943 -11.538 1.00 0.56 H new ATOM 0 HB3 SER A 105 16.571 3.655 -12.078 1.00 0.56 H new ATOM 0 HG SER A 105 15.500 4.710 -13.845 1.00 0.58 H new ATOM 1796 N GLN A 106 15.867 1.667 -9.453 1.00 0.52 N ATOM 1797 CA GLN A 106 16.713 0.602 -8.927 1.00 0.54 C ATOM 1798 C GLN A 106 15.951 -0.243 -7.912 1.00 0.51 C ATOM 1799 O GLN A 106 16.535 -1.071 -7.214 1.00 0.52 O ATOM 1800 CB GLN A 106 17.968 1.190 -8.280 1.00 0.55 C ATOM 1801 CG GLN A 106 18.670 2.227 -9.140 1.00 0.58 C ATOM 1802 CD GLN A 106 20.093 2.495 -8.691 1.00 0.60 C ATOM 1803 OE1 GLN A 106 20.499 3.645 -8.524 1.00 0.60 O ATOM 1804 NE2 GLN A 106 20.861 1.427 -8.492 1.00 0.62 N ATOM 0 H GLN A 106 15.469 2.279 -8.741 1.00 0.52 H new ATOM 0 HA GLN A 106 17.009 -0.038 -9.758 1.00 0.54 H new ATOM 0 HB2 GLN A 106 17.696 1.645 -7.328 1.00 0.55 H new ATOM 0 HB3 GLN A 106 18.665 0.382 -8.060 1.00 0.55 H new ATOM 0 HG2 GLN A 106 18.678 1.888 -10.176 1.00 0.58 H new ATOM 0 HG3 GLN A 106 18.104 3.158 -9.114 1.00 0.58 H new ATOM 0 HE21 GLN A 106 20.483 0.492 -8.643 1.00 0.62 H new ATOM 0 HE22 GLN A 106 21.828 1.543 -8.189 1.00 0.62 H new ATOM 1813 N ILE A 107 14.642 -0.026 -7.836 1.00 0.48 N ATOM 1814 CA ILE A 107 13.796 -0.764 -6.907 1.00 0.45 C ATOM 1815 C ILE A 107 13.155 -1.977 -7.589 1.00 0.46 C ATOM 1816 O ILE A 107 12.451 -1.829 -8.589 1.00 0.46 O ATOM 1817 CB ILE A 107 12.689 0.146 -6.319 1.00 0.40 C ATOM 1818 CG1 ILE A 107 13.226 0.912 -5.109 1.00 0.39 C ATOM 1819 CG2 ILE A 107 11.457 -0.663 -5.930 1.00 0.38 C ATOM 1820 CD1 ILE A 107 12.437 2.163 -4.788 1.00 0.36 C ATOM 0 H ILE A 107 14.144 0.656 -8.408 1.00 0.48 H new ATOM 0 HA ILE A 107 14.434 -1.113 -6.095 1.00 0.45 H new ATOM 0 HB ILE A 107 12.392 0.859 -7.088 1.00 0.40 H new ATOM 0 HG12 ILE A 107 13.218 0.254 -4.240 1.00 0.39 H new ATOM 0 HG13 ILE A 107 14.265 1.185 -5.293 1.00 0.39 H new ATOM 0 HG21 ILE A 107 10.698 0.004 -5.521 1.00 0.38 H new ATOM 0 HG22 ILE A 107 11.060 -1.167 -6.811 1.00 0.38 H new ATOM 0 HG23 ILE A 107 11.731 -1.405 -5.180 1.00 0.38 H new ATOM 0 HD11 ILE A 107 12.874 2.656 -3.919 1.00 0.36 H new ATOM 0 HD12 ILE A 107 12.466 2.840 -5.642 1.00 0.36 H new ATOM 0 HD13 ILE A 107 11.403 1.895 -4.572 1.00 0.36 H new ATOM 1832 N PRO A 108 13.401 -3.196 -7.066 1.00 0.47 N ATOM 1833 CA PRO A 108 12.831 -4.427 -7.630 1.00 0.48 C ATOM 1834 C PRO A 108 11.316 -4.348 -7.778 1.00 0.45 C ATOM 1835 O PRO A 108 10.667 -3.477 -7.195 1.00 0.41 O ATOM 1836 CB PRO A 108 13.215 -5.501 -6.610 1.00 0.49 C ATOM 1837 CG PRO A 108 14.433 -4.968 -5.943 1.00 0.50 C ATOM 1838 CD PRO A 108 14.255 -3.477 -5.895 1.00 0.47 C ATOM 0 HA PRO A 108 13.205 -4.625 -8.635 1.00 0.48 H new ATOM 0 HB2 PRO A 108 12.412 -5.671 -5.892 1.00 0.49 H new ATOM 0 HB3 PRO A 108 13.415 -6.456 -7.096 1.00 0.49 H new ATOM 0 HG2 PRO A 108 14.542 -5.381 -4.940 1.00 0.50 H new ATOM 0 HG3 PRO A 108 15.332 -5.237 -6.498 1.00 0.50 H new ATOM 0 HD2 PRO A 108 13.781 -3.159 -4.966 1.00 0.47 H new ATOM 0 HD3 PRO A 108 15.210 -2.956 -5.960 1.00 0.47 H new ATOM 1846 N GLU A 109 10.757 -5.264 -8.561 1.00 0.47 N ATOM 1847 CA GLU A 109 9.318 -5.296 -8.798 1.00 0.44 C ATOM 1848 C GLU A 109 8.714 -6.614 -8.323 1.00 0.44 C ATOM 1849 O GLU A 109 7.559 -6.918 -8.618 1.00 0.43 O ATOM 1850 CB GLU A 109 9.018 -5.088 -10.284 1.00 0.46 C ATOM 1851 CG GLU A 109 9.871 -5.947 -11.204 1.00 0.51 C ATOM 1852 CD GLU A 109 9.381 -5.929 -12.638 1.00 0.53 C ATOM 1853 OE1 GLU A 109 8.384 -6.621 -12.934 1.00 0.52 O ATOM 1854 OE2 GLU A 109 9.993 -5.223 -13.468 1.00 0.55 O ATOM 0 H GLU A 109 11.279 -5.996 -9.043 1.00 0.47 H new ATOM 0 HA GLU A 109 8.865 -4.485 -8.227 1.00 0.44 H new ATOM 0 HB2 GLU A 109 7.966 -5.307 -10.468 1.00 0.46 H new ATOM 0 HB3 GLU A 109 9.173 -4.038 -10.534 1.00 0.46 H new ATOM 0 HG2 GLU A 109 10.902 -5.594 -11.172 1.00 0.51 H new ATOM 0 HG3 GLU A 109 9.874 -6.974 -10.838 1.00 0.51 H new ATOM 1861 N ASN A 110 9.507 -7.393 -7.593 1.00 0.46 N ATOM 1862 CA ASN A 110 9.053 -8.681 -7.077 1.00 0.48 C ATOM 1863 C ASN A 110 7.768 -8.524 -6.268 1.00 0.44 C ATOM 1864 O ASN A 110 7.718 -7.760 -5.306 1.00 0.41 O ATOM 1865 CB ASN A 110 10.141 -9.318 -6.208 1.00 0.50 C ATOM 1866 CG ASN A 110 10.154 -10.829 -6.312 1.00 0.54 C ATOM 1867 OD1 ASN A 110 9.250 -11.506 -5.821 1.00 0.53 O ATOM 1868 ND2 ASN A 110 11.182 -11.371 -6.956 1.00 0.58 N ATOM 0 H ASN A 110 10.467 -7.155 -7.345 1.00 0.46 H new ATOM 0 HA ASN A 110 8.848 -9.331 -7.927 1.00 0.48 H new ATOM 0 HB2 ASN A 110 11.114 -8.928 -6.506 1.00 0.50 H new ATOM 0 HB3 ASN A 110 9.987 -9.030 -5.168 1.00 0.50 H new ATOM 0 HD21 ASN A 110 11.243 -12.384 -7.058 1.00 0.58 H new ATOM 0 HD22 ASN A 110 11.910 -10.774 -7.348 1.00 0.58 H new ATOM 1875 N THR A 111 6.732 -9.256 -6.670 1.00 0.44 N ATOM 1876 CA THR A 111 5.445 -9.204 -5.989 1.00 0.41 C ATOM 1877 C THR A 111 5.379 -10.232 -4.860 1.00 0.42 C ATOM 1878 O THR A 111 5.383 -11.437 -5.113 1.00 0.45 O ATOM 1879 CB THR A 111 4.285 -9.462 -6.967 1.00 0.40 C ATOM 1880 OG1 THR A 111 4.798 -9.776 -8.267 1.00 0.44 O ATOM 1881 CG2 THR A 111 3.372 -8.248 -7.057 1.00 0.36 C ATOM 0 H THR A 111 6.761 -9.893 -7.466 1.00 0.44 H new ATOM 0 HA THR A 111 5.346 -8.202 -5.572 1.00 0.41 H new ATOM 0 HB THR A 111 3.706 -10.306 -6.592 1.00 0.40 H new ATOM 0 HG1 THR A 111 4.053 -9.940 -8.882 1.00 0.44 H new ATOM 0 HG21 THR A 111 2.560 -8.454 -7.754 1.00 0.36 H new ATOM 0 HG22 THR A 111 2.958 -8.030 -6.072 1.00 0.36 H new ATOM 0 HG23 THR A 111 3.943 -7.389 -7.409 1.00 0.36 H new ATOM 1889 N PRO A 112 5.319 -9.774 -3.592 1.00 0.40 N ATOM 1890 CA PRO A 112 5.254 -10.673 -2.432 1.00 0.42 C ATOM 1891 C PRO A 112 4.062 -11.621 -2.497 1.00 0.43 C ATOM 1892 O PRO A 112 2.963 -11.228 -2.887 1.00 0.40 O ATOM 1893 CB PRO A 112 5.109 -9.717 -1.243 1.00 0.38 C ATOM 1894 CG PRO A 112 5.659 -8.421 -1.728 1.00 0.36 C ATOM 1895 CD PRO A 112 5.316 -8.355 -3.187 1.00 0.36 C ATOM 0 HA PRO A 112 6.130 -11.319 -2.373 1.00 0.42 H new ATOM 0 HB2 PRO A 112 4.066 -9.616 -0.941 1.00 0.38 H new ATOM 0 HB3 PRO A 112 5.659 -10.080 -0.374 1.00 0.38 H new ATOM 0 HG2 PRO A 112 5.223 -7.583 -1.185 1.00 0.36 H new ATOM 0 HG3 PRO A 112 6.737 -8.372 -1.577 1.00 0.36 H new ATOM 0 HD2 PRO A 112 4.344 -7.890 -3.353 1.00 0.36 H new ATOM 0 HD3 PRO A 112 6.048 -7.773 -3.748 1.00 0.36 H new ATOM 1903 N THR A 113 4.290 -12.874 -2.113 1.00 0.46 N ATOM 1904 CA THR A 113 3.238 -13.884 -2.126 1.00 0.48 C ATOM 1905 C THR A 113 3.494 -14.956 -1.073 1.00 0.51 C ATOM 1906 O THR A 113 4.558 -15.578 -1.050 1.00 0.54 O ATOM 1907 CB THR A 113 3.121 -14.557 -3.507 1.00 0.50 C ATOM 1908 OG1 THR A 113 3.908 -13.843 -4.469 1.00 0.49 O ATOM 1909 CG2 THR A 113 1.673 -14.603 -3.966 1.00 0.49 C ATOM 0 H THR A 113 5.195 -13.214 -1.789 1.00 0.46 H new ATOM 0 HA THR A 113 2.304 -13.370 -1.900 1.00 0.48 H new ATOM 0 HB THR A 113 3.491 -15.579 -3.420 1.00 0.50 H new ATOM 0 HG1 THR A 113 3.829 -14.278 -5.344 1.00 0.49 H new ATOM 0 HG21 THR A 113 1.616 -15.082 -4.943 1.00 0.49 H new ATOM 0 HG22 THR A 113 1.082 -15.171 -3.248 1.00 0.49 H new ATOM 0 HG23 THR A 113 1.281 -13.588 -4.036 1.00 0.49 H new ATOM 1917 N ALA A 114 2.512 -15.169 -0.200 1.00 0.51 N ATOM 1918 CA ALA A 114 2.631 -16.166 0.860 1.00 0.54 C ATOM 1919 C ALA A 114 2.720 -17.573 0.281 1.00 0.58 C ATOM 1920 O ALA A 114 2.407 -17.795 -0.888 1.00 0.58 O ATOM 1921 CB ALA A 114 1.454 -16.060 1.818 1.00 0.53 C ATOM 0 H ALA A 114 1.626 -14.665 -0.206 1.00 0.51 H new ATOM 0 HA ALA A 114 3.551 -15.969 1.410 1.00 0.54 H new ATOM 0 HB1 ALA A 114 1.555 -16.809 2.603 1.00 0.53 H new ATOM 0 HB2 ALA A 114 1.437 -15.066 2.265 1.00 0.53 H new ATOM 0 HB3 ALA A 114 0.525 -16.229 1.273 1.00 0.53 H new ATOM 1927 N ARG A 115 3.151 -18.521 1.109 1.00 0.61 N ATOM 1928 CA ARG A 115 3.281 -19.910 0.680 1.00 0.65 C ATOM 1929 C ARG A 115 1.966 -20.661 0.857 1.00 0.66 C ATOM 1930 O ARG A 115 1.263 -20.473 1.851 1.00 0.66 O ATOM 1931 CB ARG A 115 4.392 -20.611 1.468 1.00 0.69 C ATOM 1932 CG ARG A 115 4.268 -20.448 2.973 1.00 0.69 C ATOM 1933 CD ARG A 115 5.483 -21.009 3.694 1.00 0.72 C ATOM 1934 NE ARG A 115 6.729 -20.435 3.195 1.00 0.71 N ATOM 1935 CZ ARG A 115 7.788 -21.159 2.842 1.00 0.74 C ATOM 1936 NH1 ARG A 115 7.756 -22.482 2.942 1.00 0.78 N ATOM 1937 NH2 ARG A 115 8.880 -20.560 2.386 1.00 0.73 N ATOM 0 H ARG A 115 3.416 -18.353 2.080 1.00 0.61 H new ATOM 0 HA ARG A 115 3.540 -19.912 -0.379 1.00 0.65 H new ATOM 0 HB2 ARG A 115 4.383 -21.673 1.224 1.00 0.69 H new ATOM 0 HB3 ARG A 115 5.357 -20.218 1.147 1.00 0.69 H new ATOM 0 HG2 ARG A 115 4.153 -19.392 3.218 1.00 0.69 H new ATOM 0 HG3 ARG A 115 3.369 -20.956 3.323 1.00 0.69 H new ATOM 0 HD2 ARG A 115 5.394 -20.810 4.762 1.00 0.72 H new ATOM 0 HD3 ARG A 115 5.509 -22.092 3.572 1.00 0.72 H new ATOM 0 HE ARG A 115 6.791 -19.420 3.112 1.00 0.71 H new ATOM 0 HH11 ARG A 115 6.918 -22.947 3.290 1.00 0.78 H new ATOM 0 HH12 ARG A 115 8.570 -23.034 2.670 1.00 0.78 H new ATOM 0 HH21 ARG A 115 8.908 -19.544 2.306 1.00 0.73 H new ATOM 0 HH22 ARG A 115 9.691 -21.116 2.116 1.00 0.73 H new ATOM 1951 N ARG A 116 1.643 -21.512 -0.111 1.00 0.68 N ATOM 1952 CA ARG A 116 0.412 -22.295 -0.065 1.00 0.70 C ATOM 1953 C ARG A 116 0.720 -23.779 0.095 1.00 0.74 C ATOM 1954 O ARG A 116 1.754 -24.263 -0.368 1.00 0.77 O ATOM 1955 CB ARG A 116 -0.410 -22.065 -1.334 1.00 0.68 C ATOM 1956 CG ARG A 116 -1.132 -20.729 -1.359 1.00 0.64 C ATOM 1957 CD ARG A 116 -2.041 -20.610 -2.571 1.00 0.63 C ATOM 1958 NE ARG A 116 -1.513 -19.678 -3.563 1.00 0.60 N ATOM 1959 CZ ARG A 116 -1.543 -18.354 -3.424 1.00 0.56 C ATOM 1960 NH1 ARG A 116 -2.072 -17.809 -2.336 1.00 0.55 N ATOM 1961 NH2 ARG A 116 -1.042 -17.576 -4.373 1.00 0.55 N ATOM 0 H ARG A 116 2.217 -21.678 -0.938 1.00 0.68 H new ATOM 0 HA ARG A 116 -0.168 -21.968 0.798 1.00 0.70 H new ATOM 0 HB2 ARG A 116 0.249 -22.128 -2.200 1.00 0.68 H new ATOM 0 HB3 ARG A 116 -1.143 -22.866 -1.432 1.00 0.68 H new ATOM 0 HG2 ARG A 116 -1.721 -20.615 -0.449 1.00 0.64 H new ATOM 0 HG3 ARG A 116 -0.402 -19.920 -1.370 1.00 0.64 H new ATOM 0 HD2 ARG A 116 -2.167 -21.592 -3.027 1.00 0.63 H new ATOM 0 HD3 ARG A 116 -3.029 -20.278 -2.252 1.00 0.63 H new ATOM 0 HE ARG A 116 -1.097 -20.063 -4.411 1.00 0.60 H new ATOM 0 HH11 ARG A 116 -2.457 -18.405 -1.603 1.00 0.55 H new ATOM 0 HH12 ARG A 116 -2.093 -16.794 -2.233 1.00 0.55 H new ATOM 0 HH21 ARG A 116 -0.633 -17.991 -5.210 1.00 0.55 H new ATOM 0 HH22 ARG A 116 -1.065 -16.562 -4.266 1.00 0.55 H new ATOM 1975 N ARG A 117 -0.187 -24.499 0.752 1.00 0.76 N ATOM 1976 CA ARG A 117 -0.013 -25.931 0.971 1.00 0.80 C ATOM 1977 C ARG A 117 -0.380 -26.722 -0.280 1.00 0.82 C ATOM 1978 O ARG A 117 0.432 -27.601 -0.664 1.00 0.85 O ATOM 1979 CB ARG A 117 -0.868 -26.394 2.153 1.00 0.82 C ATOM 1980 CG ARG A 117 -0.784 -25.480 3.363 1.00 0.80 C ATOM 1981 CD ARG A 117 -1.687 -25.961 4.487 1.00 0.81 C ATOM 1982 NE ARG A 117 -3.021 -25.374 4.401 1.00 0.79 N ATOM 1983 CZ ARG A 117 -4.014 -25.668 5.237 1.00 0.81 C ATOM 1984 NH1 ARG A 117 -3.824 -26.539 6.219 1.00 0.84 N ATOM 1985 NH2 ARG A 117 -5.198 -25.090 5.091 1.00 0.79 N ATOM 1986 OXT ARG A 117 -1.450 -26.464 -0.921 1.00 0.81 O ATOM 0 H ARG A 117 -1.048 -24.114 1.141 1.00 0.76 H new ATOM 0 HA ARG A 117 1.037 -26.114 1.198 1.00 0.80 H new ATOM 0 HB2 ARG A 117 -1.908 -26.463 1.833 1.00 0.82 H new ATOM 0 HB3 ARG A 117 -0.557 -27.397 2.444 1.00 0.82 H new ATOM 0 HG2 ARG A 117 0.246 -25.436 3.716 1.00 0.80 H new ATOM 0 HG3 ARG A 117 -1.067 -24.467 3.076 1.00 0.80 H new ATOM 0 HD2 ARG A 117 -1.765 -27.048 4.450 1.00 0.81 H new ATOM 0 HD3 ARG A 117 -1.239 -25.706 5.447 1.00 0.81 H new ATOM 0 HE ARG A 117 -3.202 -24.700 3.657 1.00 0.79 H new ATOM 0 HH11 ARG A 117 -2.915 -26.986 6.335 1.00 0.84 H new ATOM 0 HH12 ARG A 117 -4.587 -26.762 6.858 1.00 0.84 H new ATOM 0 HH21 ARG A 117 -5.349 -24.419 4.337 1.00 0.79 H new ATOM 0 HH22 ARG A 117 -5.958 -25.316 5.732 1.00 0.79 H new