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 68:sc= 0.349 USER MOD Set 1.2: A 84 GLN : amide:sc= 0 X(o=-1.8,f=-1.9) USER MOD Set 1.3: A 86 ASN : amide:sc= -2.13! C(o=-1.8!,f=-6.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.163 (180deg=-0.216) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0559 X(o=-0.056,f=-0.39) 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=-0.532) USER MOD Single : A 14 SER OG : rot 47:sc= 0.00297 USER MOD Single : A 16 ASN : amide:sc= -0.826 K(o=-0.83,f=-0.15) 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= -0.0353 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot -171:sc= 1.14 USER MOD Single : A 48 THR OG1 : rot -34:sc= 1.31 USER MOD Single : A 52 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0245) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS : no HD1:sc= -3.79! C(o=-3.8!,f=-2.9!) 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=-15!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -6.21! C(o=-6.2!,f=-8!) USER MOD Single : A 76 THR OG1 : rot -178:sc= 0.384 USER MOD Single : A 77 THR OG1 : rot 6:sc= 0.194! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.23) 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 -36:sc= 0.165 USER MOD Single : A 92 LYS NZ :NH3+ -142:sc= 0.0147 (180deg=0) USER MOD Single : A 97 SER OG : rot 37:sc= 0.0636 USER MOD Single : A 104 SER OG : rot -122:sc= 0.1 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.037) USER MOD Single : A 110 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.0727 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0559 USER MOD ----------------------------------------------------------------- ATOM 193 N MET A 1 10.458 -1.947 14.467 1.00 0.49 N ATOM 194 CA MET A 1 9.042 -2.395 14.465 1.00 0.49 C ATOM 195 C MET A 1 8.440 -2.298 13.066 1.00 0.45 C ATOM 196 O MET A 1 7.220 -2.326 12.901 1.00 0.44 O ATOM 197 CB MET A 1 8.221 -1.552 15.442 1.00 0.50 C ATOM 198 CG MET A 1 8.593 -1.774 16.898 1.00 0.54 C ATOM 199 SD MET A 1 7.154 -2.038 17.951 1.00 0.57 S ATOM 200 CE MET A 1 7.867 -3.042 19.252 1.00 0.61 C ATOM 0 H1 MET A 1 10.804 -1.893 15.446 1.00 0.49 H new ATOM 0 H2 MET A 1 11.037 -2.625 13.932 1.00 0.49 H new ATOM 0 H3 MET A 1 10.526 -1.009 14.024 1.00 0.49 H new ATOM 0 HA MET A 1 9.017 -3.438 14.780 1.00 0.49 H new ATOM 0 HB2 MET A 1 8.353 -0.498 15.199 1.00 0.50 H new ATOM 0 HB3 MET A 1 7.164 -1.781 15.307 1.00 0.50 H new ATOM 0 HG2 MET A 1 9.255 -2.636 16.972 1.00 0.54 H new ATOM 0 HG3 MET A 1 9.151 -0.911 17.262 1.00 0.54 H new ATOM 0 HE1 MET A 1 7.098 -3.289 19.984 1.00 0.61 H new ATOM 0 HE2 MET A 1 8.268 -3.961 18.824 1.00 0.61 H new ATOM 0 HE3 MET A 1 8.669 -2.489 19.741 1.00 0.61 H new ATOM 212 N GLU A 2 9.303 -2.184 12.063 1.00 0.43 N ATOM 213 CA GLU A 2 8.856 -2.082 10.678 1.00 0.40 C ATOM 214 C GLU A 2 9.386 -3.247 9.848 1.00 0.40 C ATOM 215 O GLU A 2 10.584 -3.536 9.858 1.00 0.42 O ATOM 216 CB GLU A 2 9.313 -0.757 10.064 1.00 0.38 C ATOM 217 CG GLU A 2 10.706 -0.330 10.501 1.00 0.39 C ATOM 218 CD GLU A 2 10.691 0.930 11.342 1.00 0.40 C ATOM 219 OE1 GLU A 2 10.030 1.908 10.936 1.00 0.38 O ATOM 220 OE2 GLU A 2 11.344 0.942 12.407 1.00 0.42 O ATOM 0 H GLU A 2 10.316 -2.160 12.182 1.00 0.43 H new ATOM 0 HA GLU A 2 7.767 -2.119 10.673 1.00 0.40 H new ATOM 0 HB2 GLU A 2 9.293 -0.844 8.978 1.00 0.38 H new ATOM 0 HB3 GLU A 2 8.602 0.023 10.334 1.00 0.38 H new ATOM 0 HG2 GLU A 2 11.168 -1.137 11.070 1.00 0.39 H new ATOM 0 HG3 GLU A 2 11.326 -0.167 9.619 1.00 0.39 H new ATOM 227 N GLU A 3 8.486 -3.912 9.130 1.00 0.39 N ATOM 228 CA GLU A 3 8.864 -5.045 8.293 1.00 0.40 C ATOM 229 C GLU A 3 9.090 -4.610 6.846 1.00 0.37 C ATOM 230 O GLU A 3 8.798 -3.473 6.477 1.00 0.35 O ATOM 231 CB GLU A 3 7.791 -6.132 8.356 1.00 0.41 C ATOM 232 CG GLU A 3 6.564 -5.838 7.504 1.00 0.38 C ATOM 233 CD GLU A 3 5.313 -6.512 8.033 1.00 0.39 C ATOM 234 OE1 GLU A 3 5.087 -7.694 7.692 1.00 0.41 O ATOM 235 OE2 GLU A 3 4.560 -5.861 8.784 1.00 0.39 O ATOM 0 H GLU A 3 7.492 -3.686 9.111 1.00 0.39 H new ATOM 0 HA GLU A 3 9.801 -5.449 8.676 1.00 0.40 H new ATOM 0 HB2 GLU A 3 8.227 -7.078 8.034 1.00 0.41 H new ATOM 0 HB3 GLU A 3 7.479 -6.261 9.392 1.00 0.41 H new ATOM 0 HG2 GLU A 3 6.403 -4.761 7.465 1.00 0.38 H new ATOM 0 HG3 GLU A 3 6.747 -6.171 6.482 1.00 0.38 H new ATOM 242 N LYS A 4 9.614 -5.524 6.034 1.00 0.39 N ATOM 243 CA LYS A 4 9.883 -5.245 4.629 1.00 0.37 C ATOM 244 C LYS A 4 8.749 -5.751 3.743 1.00 0.36 C ATOM 245 O LYS A 4 7.824 -6.412 4.215 1.00 0.37 O ATOM 246 CB LYS A 4 11.205 -5.891 4.208 1.00 0.41 C ATOM 247 CG LYS A 4 11.451 -7.251 4.835 1.00 0.44 C ATOM 248 CD LYS A 4 12.245 -7.137 6.127 1.00 0.46 C ATOM 249 CE LYS A 4 13.725 -7.397 5.898 1.00 0.49 C ATOM 250 NZ LYS A 4 14.342 -8.138 7.032 1.00 0.52 N ATOM 0 H LYS A 4 9.861 -6.469 6.328 1.00 0.39 H new ATOM 0 HA LYS A 4 9.956 -4.165 4.505 1.00 0.37 H new ATOM 0 HB2 LYS A 4 11.219 -5.994 3.123 1.00 0.41 H new ATOM 0 HB3 LYS A 4 12.025 -5.225 4.475 1.00 0.41 H new ATOM 0 HG2 LYS A 4 10.497 -7.738 5.036 1.00 0.44 H new ATOM 0 HG3 LYS A 4 11.990 -7.885 4.131 1.00 0.44 H new ATOM 0 HD2 LYS A 4 12.111 -6.142 6.551 1.00 0.46 H new ATOM 0 HD3 LYS A 4 11.858 -7.849 6.857 1.00 0.46 H new ATOM 0 HE2 LYS A 4 13.855 -7.968 4.978 1.00 0.49 H new ATOM 0 HE3 LYS A 4 14.243 -6.448 5.760 1.00 0.49 H new ATOM 0 HZ1 LYS A 4 15.351 -8.295 6.836 1.00 0.52 H new ATOM 0 HZ2 LYS A 4 14.241 -7.583 7.905 1.00 0.52 H new ATOM 0 HZ3 LYS A 4 13.865 -9.055 7.148 1.00 0.52 H new ATOM 264 N VAL A 5 8.830 -5.434 2.453 1.00 0.35 N ATOM 265 CA VAL A 5 7.816 -5.853 1.492 1.00 0.34 C ATOM 266 C VAL A 5 7.929 -7.345 1.191 1.00 0.37 C ATOM 267 O VAL A 5 6.923 -8.031 1.012 1.00 0.37 O ATOM 268 CB VAL A 5 7.937 -5.058 0.175 1.00 0.32 C ATOM 269 CG1 VAL A 5 6.879 -5.499 -0.825 1.00 0.31 C ATOM 270 CG2 VAL A 5 7.829 -3.564 0.441 1.00 0.29 C ATOM 0 H VAL A 5 9.590 -4.887 2.049 1.00 0.35 H new ATOM 0 HA VAL A 5 6.844 -5.652 1.941 1.00 0.34 H new ATOM 0 HB VAL A 5 8.917 -5.263 -0.255 1.00 0.32 H new ATOM 0 HG11 VAL A 5 6.985 -4.924 -1.745 1.00 0.31 H new ATOM 0 HG12 VAL A 5 7.005 -6.559 -1.044 1.00 0.31 H new ATOM 0 HG13 VAL A 5 5.888 -5.330 -0.404 1.00 0.31 H new ATOM 0 HG21 VAL A 5 7.917 -3.020 -0.499 1.00 0.29 H new ATOM 0 HG22 VAL A 5 6.864 -3.345 0.899 1.00 0.29 H new ATOM 0 HG23 VAL A 5 8.629 -3.256 1.115 1.00 0.29 H new ATOM 280 N GLY A 6 9.162 -7.843 1.143 1.00 0.41 N ATOM 281 CA GLY A 6 9.384 -9.249 0.860 1.00 0.44 C ATOM 282 C GLY A 6 9.104 -10.137 2.057 1.00 0.46 C ATOM 283 O GLY A 6 9.315 -11.349 2.000 1.00 0.50 O ATOM 0 H GLY A 6 10.010 -7.297 1.295 1.00 0.41 H new ATOM 0 HA2 GLY A 6 8.747 -9.554 0.030 1.00 0.44 H new ATOM 0 HA3 GLY A 6 10.416 -9.393 0.539 1.00 0.44 H new ATOM 287 N ASN A 7 8.629 -9.537 3.144 1.00 0.44 N ATOM 288 CA ASN A 7 8.325 -10.283 4.360 1.00 0.47 C ATOM 289 C ASN A 7 6.912 -9.985 4.853 1.00 0.44 C ATOM 290 O ASN A 7 6.475 -10.531 5.868 1.00 0.46 O ATOM 291 CB ASN A 7 9.334 -9.940 5.451 1.00 0.48 C ATOM 292 CG ASN A 7 9.527 -11.070 6.444 1.00 0.52 C ATOM 293 OD1 ASN A 7 9.661 -12.233 6.062 1.00 0.54 O ATOM 294 ND2 ASN A 7 9.542 -10.730 7.728 1.00 0.52 N ATOM 0 H ASN A 7 8.446 -8.536 3.207 1.00 0.44 H new ATOM 0 HA ASN A 7 8.389 -11.346 4.126 1.00 0.47 H new ATOM 0 HB2 ASN A 7 10.292 -9.698 4.991 1.00 0.48 H new ATOM 0 HB3 ASN A 7 9.001 -9.048 5.982 1.00 0.48 H new ATOM 0 HD21 ASN A 7 9.668 -11.446 8.444 1.00 0.52 H new ATOM 0 HD22 ASN A 7 9.427 -9.753 7.998 1.00 0.52 H new ATOM 301 N LEU A 8 6.200 -9.120 4.138 1.00 0.41 N ATOM 302 CA LEU A 8 4.841 -8.757 4.518 1.00 0.39 C ATOM 303 C LEU A 8 3.857 -9.863 4.154 1.00 0.40 C ATOM 304 O LEU A 8 4.120 -10.679 3.270 1.00 0.42 O ATOM 305 CB LEU A 8 4.429 -7.444 3.841 1.00 0.35 C ATOM 306 CG LEU A 8 3.679 -7.600 2.516 1.00 0.33 C ATOM 307 CD1 LEU A 8 2.177 -7.502 2.736 1.00 0.32 C ATOM 308 CD2 LEU A 8 4.137 -6.556 1.517 1.00 0.30 C ATOM 0 H LEU A 8 6.541 -8.659 3.295 1.00 0.41 H new ATOM 0 HA LEU A 8 4.820 -8.621 5.599 1.00 0.39 H new ATOM 0 HB2 LEU A 8 3.801 -6.880 4.531 1.00 0.35 H new ATOM 0 HB3 LEU A 8 5.325 -6.848 3.665 1.00 0.35 H new ATOM 0 HG LEU A 8 3.904 -8.586 2.111 1.00 0.33 H new ATOM 0 HD11 LEU A 8 1.661 -7.615 1.782 1.00 0.32 H new ATOM 0 HD12 LEU A 8 1.857 -8.290 3.417 1.00 0.32 H new ATOM 0 HD13 LEU A 8 1.935 -6.530 3.166 1.00 0.32 H new ATOM 0 HD21 LEU A 8 3.592 -6.684 0.582 1.00 0.30 H new ATOM 0 HD22 LEU A 8 3.944 -5.561 1.917 1.00 0.30 H new ATOM 0 HD23 LEU A 8 5.205 -6.672 1.333 1.00 0.30 H new ATOM 320 N LYS A 9 2.723 -9.877 4.842 1.00 0.40 N ATOM 321 CA LYS A 9 1.684 -10.864 4.591 1.00 0.42 C ATOM 322 C LYS A 9 0.305 -10.211 4.660 1.00 0.40 C ATOM 323 O LYS A 9 0.122 -9.215 5.360 1.00 0.39 O ATOM 324 CB LYS A 9 1.790 -12.015 5.588 1.00 0.46 C ATOM 325 CG LYS A 9 1.292 -11.673 6.983 1.00 0.47 C ATOM 326 CD LYS A 9 0.217 -12.643 7.443 1.00 0.50 C ATOM 327 CE LYS A 9 0.805 -13.763 8.284 1.00 0.54 C ATOM 328 NZ LYS A 9 0.432 -13.635 9.721 1.00 0.56 N ATOM 0 H LYS A 9 2.500 -9.212 5.582 1.00 0.40 H new ATOM 0 HA LYS A 9 1.821 -11.269 3.588 1.00 0.42 H new ATOM 0 HB2 LYS A 9 1.222 -12.864 5.209 1.00 0.46 H new ATOM 0 HB3 LYS A 9 2.831 -12.331 5.653 1.00 0.46 H new ATOM 0 HG2 LYS A 9 2.127 -11.694 7.684 1.00 0.47 H new ATOM 0 HG3 LYS A 9 0.895 -10.658 6.990 1.00 0.47 H new ATOM 0 HD2 LYS A 9 -0.535 -12.107 8.022 1.00 0.50 H new ATOM 0 HD3 LYS A 9 -0.290 -13.065 6.575 1.00 0.50 H new ATOM 0 HE2 LYS A 9 0.458 -14.723 7.903 1.00 0.54 H new ATOM 0 HE3 LYS A 9 1.891 -13.756 8.189 1.00 0.54 H new ATOM 0 HZ1 LYS A 9 0.853 -14.418 10.260 1.00 0.56 H new ATOM 0 HZ2 LYS A 9 0.785 -12.730 10.092 1.00 0.56 H new ATOM 0 HZ3 LYS A 9 -0.603 -13.667 9.815 1.00 0.56 H new ATOM 342 N PRO A 10 -0.687 -10.756 3.931 1.00 0.40 N ATOM 343 CA PRO A 10 -2.040 -10.201 3.913 1.00 0.39 C ATOM 344 C PRO A 10 -2.846 -10.562 5.159 1.00 0.41 C ATOM 345 O PRO A 10 -2.447 -11.430 5.935 1.00 0.45 O ATOM 346 CB PRO A 10 -2.660 -10.846 2.676 1.00 0.38 C ATOM 347 CG PRO A 10 -1.966 -12.158 2.548 1.00 0.42 C ATOM 348 CD PRO A 10 -0.569 -11.955 3.076 1.00 0.42 C ATOM 0 HA PRO A 10 -2.031 -9.111 3.894 1.00 0.39 H new ATOM 0 HB2 PRO A 10 -3.736 -10.976 2.794 1.00 0.38 H new ATOM 0 HB3 PRO A 10 -2.509 -10.230 1.790 1.00 0.38 H new ATOM 0 HG2 PRO A 10 -2.487 -12.930 3.115 1.00 0.42 H new ATOM 0 HG3 PRO A 10 -1.944 -12.486 1.509 1.00 0.42 H new ATOM 0 HD2 PRO A 10 -0.226 -12.820 3.644 1.00 0.42 H new ATOM 0 HD3 PRO A 10 0.146 -11.801 2.268 1.00 0.42 H new ATOM 356 N ASN A 11 -3.970 -9.867 5.345 1.00 0.41 N ATOM 357 CA ASN A 11 -4.867 -10.112 6.476 1.00 0.44 C ATOM 358 C ASN A 11 -4.269 -9.617 7.789 1.00 0.45 C ATOM 359 O ASN A 11 -4.568 -10.152 8.858 1.00 0.49 O ATOM 360 CB ASN A 11 -5.217 -11.602 6.581 1.00 0.47 C ATOM 361 CG ASN A 11 -6.566 -11.924 5.967 1.00 0.47 C ATOM 362 OD1 ASN A 11 -7.571 -12.022 6.669 1.00 0.50 O ATOM 363 ND2 ASN A 11 -6.594 -12.092 4.649 1.00 0.45 N ATOM 0 H ASN A 11 -4.283 -9.123 4.721 1.00 0.41 H new ATOM 0 HA ASN A 11 -5.781 -9.548 6.291 1.00 0.44 H new ATOM 0 HB2 ASN A 11 -4.445 -12.190 6.084 1.00 0.47 H new ATOM 0 HB3 ASN A 11 -5.218 -11.899 7.630 1.00 0.47 H new ATOM 0 HD21 ASN A 11 -7.474 -12.311 4.181 1.00 0.45 H new ATOM 0 HD22 ASN A 11 -5.736 -12.001 4.105 1.00 0.45 H new ATOM 370 N MET A 12 -3.427 -8.592 7.706 1.00 0.43 N ATOM 371 CA MET A 12 -2.804 -8.019 8.893 1.00 0.44 C ATOM 372 C MET A 12 -3.381 -6.639 9.185 1.00 0.43 C ATOM 373 O MET A 12 -3.366 -5.759 8.325 1.00 0.40 O ATOM 374 CB MET A 12 -1.290 -7.922 8.714 1.00 0.43 C ATOM 375 CG MET A 12 -0.606 -9.273 8.597 1.00 0.45 C ATOM 376 SD MET A 12 0.961 -9.336 9.487 1.00 0.47 S ATOM 377 CE MET A 12 1.991 -8.327 8.427 1.00 0.43 C ATOM 0 H MET A 12 -3.161 -8.142 6.830 1.00 0.43 H new ATOM 0 HA MET A 12 -3.015 -8.676 9.737 1.00 0.44 H new ATOM 0 HB2 MET A 12 -1.075 -7.336 7.821 1.00 0.43 H new ATOM 0 HB3 MET A 12 -0.866 -7.381 9.560 1.00 0.43 H new ATOM 0 HG2 MET A 12 -1.270 -10.047 8.982 1.00 0.45 H new ATOM 0 HG3 MET A 12 -0.431 -9.498 7.545 1.00 0.45 H new ATOM 0 HE1 MET A 12 2.860 -8.903 8.109 1.00 0.43 H new ATOM 0 HE2 MET A 12 1.420 -8.018 7.552 1.00 0.43 H new ATOM 0 HE3 MET A 12 2.322 -7.444 8.974 1.00 0.43 H new ATOM 387 N GLU A 13 -3.890 -6.457 10.397 1.00 0.47 N ATOM 388 CA GLU A 13 -4.475 -5.182 10.794 1.00 0.47 C ATOM 389 C GLU A 13 -3.397 -4.211 11.260 1.00 0.46 C ATOM 390 O GLU A 13 -3.692 -3.191 11.885 1.00 0.48 O ATOM 391 CB GLU A 13 -5.511 -5.387 11.902 1.00 0.51 C ATOM 392 CG GLU A 13 -6.122 -6.780 11.922 1.00 0.53 C ATOM 393 CD GLU A 13 -7.544 -6.785 12.448 1.00 0.56 C ATOM 394 OE1 GLU A 13 -8.303 -5.851 12.115 1.00 0.55 O ATOM 395 OE2 GLU A 13 -7.897 -7.722 13.192 1.00 0.59 O ATOM 0 H GLU A 13 -3.910 -7.175 11.121 1.00 0.47 H new ATOM 0 HA GLU A 13 -4.972 -4.755 9.923 1.00 0.47 H new ATOM 0 HB2 GLU A 13 -5.041 -5.193 12.866 1.00 0.51 H new ATOM 0 HB3 GLU A 13 -6.308 -4.653 11.782 1.00 0.51 H new ATOM 0 HG2 GLU A 13 -6.110 -7.192 10.913 1.00 0.53 H new ATOM 0 HG3 GLU A 13 -5.507 -7.434 12.541 1.00 0.53 H new ATOM 402 N SER A 14 -2.145 -4.534 10.950 1.00 0.45 N ATOM 403 CA SER A 14 -1.020 -3.692 11.333 1.00 0.44 C ATOM 404 C SER A 14 0.185 -3.974 10.444 1.00 0.41 C ATOM 405 O SER A 14 0.732 -5.078 10.455 1.00 0.42 O ATOM 406 CB SER A 14 -0.654 -3.930 12.798 1.00 0.48 C ATOM 407 OG SER A 14 -0.757 -5.303 13.134 1.00 0.50 O ATOM 0 H SER A 14 -1.885 -5.374 10.434 1.00 0.45 H new ATOM 0 HA SER A 14 -1.312 -2.650 11.206 1.00 0.44 H new ATOM 0 HB2 SER A 14 0.362 -3.583 12.983 1.00 0.48 H new ATOM 0 HB3 SER A 14 -1.313 -3.345 13.440 1.00 0.48 H new ATOM 0 HG SER A 14 -0.319 -5.843 12.443 1.00 0.50 H new ATOM 413 N VAL A 15 0.597 -2.973 9.673 1.00 0.38 N ATOM 414 CA VAL A 15 1.738 -3.122 8.774 1.00 0.35 C ATOM 415 C VAL A 15 2.601 -1.865 8.748 1.00 0.34 C ATOM 416 O VAL A 15 2.187 -0.822 8.246 1.00 0.32 O ATOM 417 CB VAL A 15 1.296 -3.441 7.330 1.00 0.32 C ATOM 418 CG1 VAL A 15 2.274 -4.402 6.672 1.00 0.32 C ATOM 419 CG2 VAL A 15 -0.116 -4.009 7.298 1.00 0.34 C ATOM 0 H VAL A 15 0.160 -2.052 9.652 1.00 0.38 H new ATOM 0 HA VAL A 15 2.320 -3.957 9.165 1.00 0.35 H new ATOM 0 HB VAL A 15 1.294 -2.508 6.767 1.00 0.32 H new ATOM 0 HG11 VAL A 15 1.946 -4.615 5.655 1.00 0.32 H new ATOM 0 HG12 VAL A 15 3.266 -3.951 6.646 1.00 0.32 H new ATOM 0 HG13 VAL A 15 2.312 -5.330 7.243 1.00 0.32 H new ATOM 0 HG21 VAL A 15 -0.399 -4.224 6.267 1.00 0.34 H new ATOM 0 HG22 VAL A 15 -0.152 -4.928 7.883 1.00 0.34 H new ATOM 0 HG23 VAL A 15 -0.810 -3.283 7.721 1.00 0.34 H new ATOM 429 N ASN A 16 3.806 -1.980 9.293 1.00 0.35 N ATOM 430 CA ASN A 16 4.753 -0.869 9.323 1.00 0.34 C ATOM 431 C ASN A 16 5.879 -1.134 8.332 1.00 0.33 C ATOM 432 O ASN A 16 6.498 -2.198 8.365 1.00 0.34 O ATOM 433 CB ASN A 16 5.316 -0.698 10.730 1.00 0.38 C ATOM 434 CG ASN A 16 5.076 0.693 11.284 1.00 0.39 C ATOM 435 OD1 ASN A 16 4.453 0.856 12.334 1.00 0.41 O ATOM 436 ND2 ASN A 16 5.572 1.705 10.582 1.00 0.37 N ATOM 0 H ASN A 16 4.153 -2.837 9.723 1.00 0.35 H new ATOM 0 HA ASN A 16 4.239 0.050 9.042 1.00 0.34 H new ATOM 0 HB2 ASN A 16 4.860 -1.434 11.393 1.00 0.38 H new ATOM 0 HB3 ASN A 16 6.387 -0.901 10.717 1.00 0.38 H new ATOM 0 HD21 ASN A 16 5.443 2.663 10.908 1.00 0.37 H new ATOM 0 HD22 ASN A 16 6.082 1.524 9.717 1.00 0.37 H new ATOM 443 N VAL A 17 6.146 -0.176 7.449 1.00 0.30 N ATOM 444 CA VAL A 17 7.183 -0.364 6.442 1.00 0.29 C ATOM 445 C VAL A 17 7.669 0.961 5.848 1.00 0.27 C ATOM 446 O VAL A 17 6.934 1.944 5.809 1.00 0.26 O ATOM 447 CB VAL A 17 6.647 -1.269 5.312 1.00 0.27 C ATOM 448 CG1 VAL A 17 5.228 -0.862 4.943 1.00 0.25 C ATOM 449 CG2 VAL A 17 7.556 -1.240 4.089 1.00 0.27 C ATOM 0 H VAL A 17 5.667 0.724 7.410 1.00 0.30 H new ATOM 0 HA VAL A 17 8.035 -0.833 6.935 1.00 0.29 H new ATOM 0 HB VAL A 17 6.634 -2.295 5.680 1.00 0.27 H new ATOM 0 HG11 VAL A 17 4.860 -1.507 4.145 1.00 0.25 H new ATOM 0 HG12 VAL A 17 4.583 -0.961 5.816 1.00 0.25 H new ATOM 0 HG13 VAL A 17 5.223 0.174 4.603 1.00 0.25 H new ATOM 0 HG21 VAL A 17 7.146 -1.889 3.315 1.00 0.27 H new ATOM 0 HG22 VAL A 17 7.623 -0.220 3.710 1.00 0.27 H new ATOM 0 HG23 VAL A 17 8.550 -1.590 4.366 1.00 0.27 H new ATOM 459 N THR A 18 8.921 0.966 5.393 1.00 0.28 N ATOM 460 CA THR A 18 9.522 2.141 4.768 1.00 0.27 C ATOM 461 C THR A 18 9.842 1.834 3.311 1.00 0.26 C ATOM 462 O THR A 18 10.518 0.848 3.017 1.00 0.28 O ATOM 463 CB THR A 18 10.814 2.577 5.486 1.00 0.30 C ATOM 464 OG1 THR A 18 10.861 2.010 6.801 1.00 0.32 O ATOM 465 CG2 THR A 18 10.897 4.095 5.580 1.00 0.30 C ATOM 0 H THR A 18 9.544 0.160 5.447 1.00 0.28 H new ATOM 0 HA THR A 18 8.803 2.957 4.839 1.00 0.27 H new ATOM 0 HB THR A 18 11.663 2.217 4.905 1.00 0.30 H new ATOM 0 HG1 THR A 18 11.686 2.291 7.249 1.00 0.32 H new ATOM 0 HG21 THR A 18 11.817 4.378 6.091 1.00 0.30 H new ATOM 0 HG22 THR A 18 10.892 4.522 4.577 1.00 0.30 H new ATOM 0 HG23 THR A 18 10.041 4.472 6.139 1.00 0.30 H new ATOM 473 N VAL A 19 9.359 2.674 2.398 1.00 0.25 N ATOM 474 CA VAL A 19 9.585 2.454 0.974 1.00 0.25 C ATOM 475 C VAL A 19 9.680 3.769 0.211 1.00 0.25 C ATOM 476 O VAL A 19 9.623 4.850 0.796 1.00 0.25 O ATOM 477 CB VAL A 19 8.453 1.606 0.351 1.00 0.23 C ATOM 478 CG1 VAL A 19 8.413 0.215 0.964 1.00 0.24 C ATOM 479 CG2 VAL A 19 7.111 2.305 0.519 1.00 0.20 C ATOM 0 H VAL A 19 8.813 3.507 2.618 1.00 0.25 H new ATOM 0 HA VAL A 19 10.532 1.920 0.891 1.00 0.25 H new ATOM 0 HB VAL A 19 8.657 1.498 -0.714 1.00 0.23 H new ATOM 0 HG11 VAL A 19 7.608 -0.361 0.508 1.00 0.24 H new ATOM 0 HG12 VAL A 19 9.364 -0.288 0.787 1.00 0.24 H new ATOM 0 HG13 VAL A 19 8.239 0.295 2.037 1.00 0.24 H new ATOM 0 HG21 VAL A 19 6.325 1.695 0.075 1.00 0.20 H new ATOM 0 HG22 VAL A 19 6.905 2.447 1.580 1.00 0.20 H new ATOM 0 HG23 VAL A 19 7.141 3.275 0.023 1.00 0.20 H new ATOM 489 N ARG A 20 9.825 3.660 -1.106 1.00 0.26 N ATOM 490 CA ARG A 20 9.915 4.824 -1.976 1.00 0.27 C ATOM 491 C ARG A 20 8.772 4.816 -2.981 1.00 0.26 C ATOM 492 O ARG A 20 8.276 3.754 -3.359 1.00 0.25 O ATOM 493 CB ARG A 20 11.256 4.834 -2.711 1.00 0.30 C ATOM 494 CG ARG A 20 11.654 6.206 -3.231 1.00 0.32 C ATOM 495 CD ARG A 20 12.722 6.841 -2.356 1.00 0.34 C ATOM 496 NE ARG A 20 13.192 8.113 -2.901 1.00 0.36 N ATOM 497 CZ ARG A 20 14.422 8.310 -3.366 1.00 0.39 C ATOM 498 NH1 ARG A 20 15.309 7.324 -3.352 1.00 0.40 N ATOM 499 NH2 ARG A 20 14.766 9.497 -3.847 1.00 0.42 N ATOM 0 H ARG A 20 9.883 2.767 -1.596 1.00 0.26 H new ATOM 0 HA ARG A 20 9.843 5.723 -1.364 1.00 0.27 H new ATOM 0 HB2 ARG A 20 12.033 4.470 -2.038 1.00 0.30 H new ATOM 0 HB3 ARG A 20 11.207 4.137 -3.548 1.00 0.30 H new ATOM 0 HG2 ARG A 20 12.024 6.117 -4.252 1.00 0.32 H new ATOM 0 HG3 ARG A 20 10.777 6.853 -3.265 1.00 0.32 H new ATOM 0 HD2 ARG A 20 12.322 7.001 -1.355 1.00 0.34 H new ATOM 0 HD3 ARG A 20 13.564 6.156 -2.257 1.00 0.34 H new ATOM 0 HE ARG A 20 12.538 8.895 -2.926 1.00 0.36 H new ATOM 0 HH11 ARG A 20 15.049 6.409 -2.983 1.00 0.40 H new ATOM 0 HH12 ARG A 20 16.251 7.481 -3.710 1.00 0.40 H new ATOM 0 HH21 ARG A 20 14.087 10.258 -3.860 1.00 0.42 H new ATOM 0 HH22 ARG A 20 15.709 9.649 -4.204 1.00 0.42 H new ATOM 513 N VAL A 21 8.354 5.999 -3.413 1.00 0.26 N ATOM 514 CA VAL A 21 7.263 6.111 -4.371 1.00 0.26 C ATOM 515 C VAL A 21 7.701 5.675 -5.765 1.00 0.28 C ATOM 516 O VAL A 21 8.699 6.157 -6.297 1.00 0.31 O ATOM 517 CB VAL A 21 6.714 7.549 -4.440 1.00 0.27 C ATOM 518 CG1 VAL A 21 5.458 7.602 -5.298 1.00 0.27 C ATOM 519 CG2 VAL A 21 6.438 8.083 -3.042 1.00 0.27 C ATOM 0 H VAL A 21 8.752 6.890 -3.117 1.00 0.26 H new ATOM 0 HA VAL A 21 6.472 5.448 -4.021 1.00 0.26 H new ATOM 0 HB VAL A 21 7.469 8.184 -4.904 1.00 0.27 H new ATOM 0 HG11 VAL A 21 5.085 8.626 -5.335 1.00 0.27 H new ATOM 0 HG12 VAL A 21 5.693 7.265 -6.308 1.00 0.27 H new ATOM 0 HG13 VAL A 21 4.695 6.953 -4.867 1.00 0.27 H new ATOM 0 HG21 VAL A 21 6.051 9.100 -3.111 1.00 0.27 H new ATOM 0 HG22 VAL A 21 5.703 7.447 -2.548 1.00 0.27 H new ATOM 0 HG23 VAL A 21 7.362 8.085 -2.464 1.00 0.27 H new ATOM 529 N LEU A 22 6.950 4.750 -6.345 1.00 0.27 N ATOM 530 CA LEU A 22 7.241 4.250 -7.679 1.00 0.30 C ATOM 531 C LEU A 22 6.252 4.825 -8.685 1.00 0.31 C ATOM 532 O LEU A 22 6.529 4.893 -9.882 1.00 0.34 O ATOM 533 CB LEU A 22 7.187 2.722 -7.692 1.00 0.30 C ATOM 534 CG LEU A 22 7.961 2.030 -6.564 1.00 0.29 C ATOM 535 CD1 LEU A 22 7.955 0.523 -6.760 1.00 0.30 C ATOM 536 CD2 LEU A 22 9.388 2.553 -6.489 1.00 0.32 C ATOM 0 H LEU A 22 6.130 4.329 -5.909 1.00 0.27 H new ATOM 0 HA LEU A 22 8.245 4.566 -7.961 1.00 0.30 H new ATOM 0 HB2 LEU A 22 6.144 2.411 -7.638 1.00 0.30 H new ATOM 0 HB3 LEU A 22 7.576 2.369 -8.647 1.00 0.30 H new ATOM 0 HG LEU A 22 7.465 2.257 -5.621 1.00 0.29 H new ATOM 0 HD11 LEU A 22 8.509 0.049 -5.950 1.00 0.30 H new ATOM 0 HD12 LEU A 22 6.927 0.160 -6.758 1.00 0.30 H new ATOM 0 HD13 LEU A 22 8.424 0.278 -7.713 1.00 0.30 H new ATOM 0 HD21 LEU A 22 9.919 2.048 -5.682 1.00 0.32 H new ATOM 0 HD22 LEU A 22 9.896 2.360 -7.434 1.00 0.32 H new ATOM 0 HD23 LEU A 22 9.373 3.626 -6.298 1.00 0.32 H new ATOM 548 N GLU A 23 5.094 5.238 -8.180 1.00 0.29 N ATOM 549 CA GLU A 23 4.043 5.810 -9.011 1.00 0.30 C ATOM 550 C GLU A 23 3.027 6.549 -8.149 1.00 0.28 C ATOM 551 O GLU A 23 3.021 6.407 -6.925 1.00 0.25 O ATOM 552 CB GLU A 23 3.346 4.719 -9.825 1.00 0.29 C ATOM 553 CG GLU A 23 2.734 5.223 -11.122 1.00 0.32 C ATOM 554 CD GLU A 23 3.525 4.798 -12.343 1.00 0.36 C ATOM 555 OE1 GLU A 23 4.645 5.312 -12.534 1.00 0.38 O ATOM 556 OE2 GLU A 23 3.021 3.951 -13.112 1.00 0.36 O ATOM 0 H GLU A 23 4.859 5.186 -7.189 1.00 0.29 H new ATOM 0 HA GLU A 23 4.501 6.519 -9.701 1.00 0.30 H new ATOM 0 HB2 GLU A 23 4.066 3.933 -10.054 1.00 0.29 H new ATOM 0 HB3 GLU A 23 2.563 4.267 -9.216 1.00 0.29 H new ATOM 0 HG2 GLU A 23 1.713 4.850 -11.207 1.00 0.32 H new ATOM 0 HG3 GLU A 23 2.674 6.311 -11.093 1.00 0.32 H new ATOM 563 N ALA A 24 2.168 7.335 -8.787 1.00 0.30 N ATOM 564 CA ALA A 24 1.154 8.093 -8.066 1.00 0.29 C ATOM 565 C ALA A 24 0.053 8.578 -9.001 1.00 0.32 C ATOM 566 O ALA A 24 0.325 9.211 -10.019 1.00 0.35 O ATOM 567 CB ALA A 24 1.795 9.272 -7.349 1.00 0.31 C ATOM 0 H ALA A 24 2.153 7.464 -9.799 1.00 0.30 H new ATOM 0 HA ALA A 24 0.698 7.431 -7.330 1.00 0.29 H new ATOM 0 HB1 ALA A 24 1.029 9.832 -6.813 1.00 0.31 H new ATOM 0 HB2 ALA A 24 2.539 8.907 -6.641 1.00 0.31 H new ATOM 0 HB3 ALA A 24 2.277 9.923 -8.078 1.00 0.31 H new ATOM 573 N SER A 25 -1.194 8.275 -8.647 1.00 0.30 N ATOM 574 CA SER A 25 -2.339 8.686 -9.451 1.00 0.33 C ATOM 575 C SER A 25 -3.185 9.708 -8.696 1.00 0.35 C ATOM 576 O SER A 25 -3.201 9.724 -7.466 1.00 0.33 O ATOM 577 CB SER A 25 -3.191 7.472 -9.826 1.00 0.31 C ATOM 578 OG SER A 25 -3.645 7.564 -11.167 1.00 0.33 O ATOM 0 H SER A 25 -1.436 7.746 -7.809 1.00 0.30 H new ATOM 0 HA SER A 25 -1.967 9.149 -10.365 1.00 0.33 H new ATOM 0 HB2 SER A 25 -2.608 6.560 -9.698 1.00 0.31 H new ATOM 0 HB3 SER A 25 -4.046 7.401 -9.153 1.00 0.31 H new ATOM 0 HG SER A 25 -4.186 6.776 -11.384 1.00 0.33 H new ATOM 584 N GLU A 26 -3.884 10.558 -9.441 1.00 0.38 N ATOM 585 CA GLU A 26 -4.728 11.583 -8.841 1.00 0.41 C ATOM 586 C GLU A 26 -5.896 10.956 -8.086 1.00 0.39 C ATOM 587 O GLU A 26 -6.261 9.805 -8.332 1.00 0.37 O ATOM 588 CB GLU A 26 -5.253 12.536 -9.917 1.00 0.44 C ATOM 589 CG GLU A 26 -4.178 13.033 -10.868 1.00 0.46 C ATOM 590 CD GLU A 26 -3.223 14.011 -10.211 1.00 0.47 C ATOM 591 OE1 GLU A 26 -3.697 15.042 -9.689 1.00 0.50 O ATOM 592 OE2 GLU A 26 -2.002 13.746 -10.218 1.00 0.46 O ATOM 0 H GLU A 26 -3.882 10.557 -10.461 1.00 0.38 H new ATOM 0 HA GLU A 26 -4.122 12.146 -8.131 1.00 0.41 H new ATOM 0 HB2 GLU A 26 -6.028 12.030 -10.492 1.00 0.44 H new ATOM 0 HB3 GLU A 26 -5.723 13.393 -9.434 1.00 0.44 H new ATOM 0 HG2 GLU A 26 -3.614 12.182 -11.250 1.00 0.46 H new ATOM 0 HG3 GLU A 26 -4.650 13.513 -11.725 1.00 0.46 H new ATOM 599 N ALA A 27 -6.374 11.663 -7.088 1.00 0.41 N ATOM 600 CA ALA A 27 -7.420 11.151 -6.228 1.00 0.41 C ATOM 601 C ALA A 27 -8.804 11.182 -6.886 1.00 0.44 C ATOM 602 O ALA A 27 -9.255 12.215 -7.384 1.00 0.48 O ATOM 603 CB ALA A 27 -7.340 11.898 -4.913 1.00 0.43 C ATOM 0 H ALA A 27 -6.053 12.601 -6.849 1.00 0.41 H new ATOM 0 HA ALA A 27 -7.264 10.089 -6.038 1.00 0.41 H new ATOM 0 HB1 ALA A 27 -8.117 11.535 -4.240 1.00 0.43 H new ATOM 0 HB2 ALA A 27 -6.362 11.734 -4.460 1.00 0.43 H new ATOM 0 HB3 ALA A 27 -7.483 12.964 -5.091 1.00 0.43 H new ATOM 609 N ARG A 28 -9.467 10.014 -6.869 1.00 0.41 N ATOM 610 CA ARG A 28 -10.781 9.829 -7.495 1.00 0.43 C ATOM 611 C ARG A 28 -11.797 9.208 -6.520 1.00 0.43 C ATOM 612 O ARG A 28 -11.428 8.564 -5.542 1.00 0.44 O ATOM 613 CB ARG A 28 -10.610 8.939 -8.751 1.00 0.42 C ATOM 614 CG ARG A 28 -11.742 7.945 -9.003 1.00 0.56 C ATOM 615 CD ARG A 28 -11.220 6.550 -9.329 1.00 0.65 C ATOM 616 NE ARG A 28 -12.286 5.544 -9.287 1.00 0.86 N ATOM 617 CZ ARG A 28 -12.088 4.247 -9.032 1.00 1.02 C ATOM 618 NH1 ARG A 28 -10.864 3.780 -8.821 1.00 1.03 N ATOM 619 NH2 ARG A 28 -13.122 3.414 -8.987 1.00 1.24 N ATOM 0 H ARG A 28 -9.105 9.173 -6.420 1.00 0.41 H new ATOM 0 HA ARG A 28 -11.177 10.804 -7.780 1.00 0.43 H new ATOM 0 HB2 ARG A 28 -10.514 9.585 -9.624 1.00 0.42 H new ATOM 0 HB3 ARG A 28 -9.675 8.385 -8.660 1.00 0.42 H new ATOM 0 HG2 ARG A 28 -12.382 7.895 -8.122 1.00 0.56 H new ATOM 0 HG3 ARG A 28 -12.360 8.302 -9.827 1.00 0.56 H new ATOM 0 HD2 ARG A 28 -10.764 6.555 -10.319 1.00 0.65 H new ATOM 0 HD3 ARG A 28 -10.438 6.280 -8.620 1.00 0.65 H new ATOM 0 HE ARG A 28 -13.241 5.854 -9.464 1.00 0.86 H new ATOM 0 HH11 ARG A 28 -10.064 4.412 -8.853 1.00 1.03 H new ATOM 0 HH12 ARG A 28 -10.723 2.789 -8.627 1.00 1.03 H new ATOM 0 HH21 ARG A 28 -14.066 3.764 -9.147 1.00 1.24 H new ATOM 0 HH22 ARG A 28 -12.971 2.424 -8.792 1.00 1.24 H new ATOM 633 N GLN A 29 -13.081 9.415 -6.808 1.00 0.45 N ATOM 634 CA GLN A 29 -14.168 8.887 -5.991 1.00 0.46 C ATOM 635 C GLN A 29 -14.546 7.471 -6.410 1.00 0.44 C ATOM 636 O GLN A 29 -14.571 7.149 -7.598 1.00 0.43 O ATOM 637 CB GLN A 29 -15.403 9.781 -6.121 1.00 0.51 C ATOM 638 CG GLN A 29 -15.276 11.107 -5.404 1.00 0.54 C ATOM 639 CD GLN A 29 -16.533 11.950 -5.503 1.00 0.61 C ATOM 640 OE1 GLN A 29 -16.680 12.761 -6.416 1.00 0.74 O ATOM 641 NE2 GLN A 29 -17.451 11.760 -4.561 1.00 0.84 N ATOM 0 H GLN A 29 -13.395 9.954 -7.615 1.00 0.45 H new ATOM 0 HA GLN A 29 -13.820 8.868 -4.958 1.00 0.46 H new ATOM 0 HB2 GLN A 29 -15.596 9.967 -7.178 1.00 0.51 H new ATOM 0 HB3 GLN A 29 -16.269 9.248 -5.728 1.00 0.51 H new ATOM 0 HG2 GLN A 29 -15.046 10.927 -4.354 1.00 0.54 H new ATOM 0 HG3 GLN A 29 -14.437 11.663 -5.823 1.00 0.54 H new ATOM 0 HE21 GLN A 29 -17.289 11.077 -3.821 1.00 0.84 H new ATOM 0 HE22 GLN A 29 -18.318 12.297 -4.578 1.00 0.84 H new ATOM 650 N ILE A 30 -14.837 6.626 -5.427 1.00 0.43 N ATOM 651 CA ILE A 30 -15.246 5.258 -5.689 1.00 0.40 C ATOM 652 C ILE A 30 -16.594 4.994 -5.013 1.00 0.42 C ATOM 653 O ILE A 30 -16.979 5.704 -4.084 1.00 0.45 O ATOM 654 CB ILE A 30 -14.210 4.226 -5.180 1.00 0.38 C ATOM 655 CG1 ILE A 30 -14.284 4.129 -3.663 1.00 0.39 C ATOM 656 CG2 ILE A 30 -12.796 4.594 -5.615 1.00 0.35 C ATOM 657 CD1 ILE A 30 -13.703 2.846 -3.109 1.00 0.39 C ATOM 0 H ILE A 30 -14.796 6.870 -4.437 1.00 0.43 H new ATOM 0 HA ILE A 30 -15.326 5.140 -6.770 1.00 0.40 H new ATOM 0 HB ILE A 30 -14.451 3.258 -5.619 1.00 0.38 H new ATOM 0 HG12 ILE A 30 -13.754 4.976 -3.227 1.00 0.39 H new ATOM 0 HG13 ILE A 30 -15.326 4.210 -3.352 1.00 0.39 H new ATOM 0 HG21 ILE A 30 -12.095 3.848 -5.241 1.00 0.35 H new ATOM 0 HG22 ILE A 30 -12.747 4.624 -6.703 1.00 0.35 H new ATOM 0 HG23 ILE A 30 -12.535 5.573 -5.212 1.00 0.35 H new ATOM 0 HD11 ILE A 30 -13.790 2.847 -2.022 1.00 0.39 H new ATOM 0 HD12 ILE A 30 -14.248 1.994 -3.516 1.00 0.39 H new ATOM 0 HD13 ILE A 30 -12.652 2.772 -3.389 1.00 0.39 H new ATOM 669 N GLN A 31 -17.300 3.974 -5.470 1.00 0.41 N ATOM 670 CA GLN A 31 -18.600 3.624 -4.910 1.00 0.44 C ATOM 671 C GLN A 31 -18.539 2.274 -4.203 1.00 0.43 C ATOM 672 O GLN A 31 -18.338 1.238 -4.837 1.00 0.42 O ATOM 673 CB GLN A 31 -19.669 3.586 -6.008 1.00 0.44 C ATOM 674 CG GLN A 31 -20.100 4.960 -6.500 1.00 0.47 C ATOM 675 CD GLN A 31 -21.213 4.886 -7.527 1.00 0.50 C ATOM 676 OE1 GLN A 31 -22.394 4.908 -7.183 1.00 0.53 O ATOM 677 NE2 GLN A 31 -20.841 4.795 -8.799 1.00 0.50 N ATOM 0 H GLN A 31 -16.995 3.369 -6.232 1.00 0.41 H new ATOM 0 HA GLN A 31 -18.868 4.390 -4.182 1.00 0.44 H new ATOM 0 HB2 GLN A 31 -19.287 3.012 -6.853 1.00 0.44 H new ATOM 0 HB3 GLN A 31 -20.543 3.056 -5.631 1.00 0.44 H new ATOM 0 HG2 GLN A 31 -20.432 5.558 -5.652 1.00 0.47 H new ATOM 0 HG3 GLN A 31 -19.242 5.472 -6.935 1.00 0.47 H new ATOM 0 HE21 GLN A 31 -19.850 4.780 -9.041 1.00 0.50 H new ATOM 0 HE22 GLN A 31 -21.546 4.740 -9.534 1.00 0.50 H new ATOM 686 N THR A 32 -18.707 2.295 -2.886 1.00 0.45 N ATOM 687 CA THR A 32 -18.673 1.072 -2.088 1.00 0.46 C ATOM 688 C THR A 32 -20.055 0.706 -1.577 1.00 0.50 C ATOM 689 O THR A 32 -21.055 1.316 -1.957 1.00 0.53 O ATOM 690 CB THR A 32 -17.720 1.200 -0.887 1.00 0.45 C ATOM 691 OG1 THR A 32 -18.193 2.204 0.014 1.00 0.48 O ATOM 692 CG2 THR A 32 -16.321 1.542 -1.358 1.00 0.42 C ATOM 0 H THR A 32 -18.868 3.145 -2.346 1.00 0.45 H new ATOM 0 HA THR A 32 -18.309 0.285 -2.749 1.00 0.46 H new ATOM 0 HB THR A 32 -17.689 0.244 -0.365 1.00 0.45 H new ATOM 0 HG1 THR A 32 -17.921 1.978 0.928 1.00 0.48 H new ATOM 0 HG21 THR A 32 -15.658 1.629 -0.497 1.00 0.42 H new ATOM 0 HG22 THR A 32 -15.957 0.755 -2.018 1.00 0.42 H new ATOM 0 HG23 THR A 32 -16.340 2.488 -1.898 1.00 0.42 H new ATOM 743 N VAL A 36 -20.041 6.549 -0.772 1.00 0.59 N ATOM 744 CA VAL A 36 -18.961 7.024 -1.628 1.00 0.56 C ATOM 745 C VAL A 36 -17.799 7.602 -0.813 1.00 0.55 C ATOM 746 O VAL A 36 -17.991 8.265 0.207 1.00 0.59 O ATOM 747 CB VAL A 36 -19.469 8.049 -2.671 1.00 0.57 C ATOM 748 CG1 VAL A 36 -20.095 9.267 -2.002 1.00 0.61 C ATOM 749 CG2 VAL A 36 -18.351 8.467 -3.610 1.00 0.56 C ATOM 0 HA VAL A 36 -18.583 6.157 -2.169 1.00 0.56 H new ATOM 0 HB VAL A 36 -20.246 7.559 -3.258 1.00 0.57 H new ATOM 0 HG11 VAL A 36 -20.440 9.964 -2.765 1.00 0.61 H new ATOM 0 HG12 VAL A 36 -20.940 8.952 -1.390 1.00 0.61 H new ATOM 0 HG13 VAL A 36 -19.353 9.757 -1.371 1.00 0.61 H new ATOM 0 HG21 VAL A 36 -18.733 9.187 -4.333 1.00 0.56 H new ATOM 0 HG22 VAL A 36 -17.545 8.923 -3.035 1.00 0.56 H new ATOM 0 HG23 VAL A 36 -17.971 7.591 -4.136 1.00 0.56 H new ATOM 759 N ARG A 37 -16.594 7.307 -1.284 1.00 0.52 N ATOM 760 CA ARG A 37 -15.351 7.738 -0.659 1.00 0.51 C ATOM 761 C ARG A 37 -14.353 8.179 -1.711 1.00 0.49 C ATOM 762 O ARG A 37 -14.554 7.954 -2.901 1.00 0.47 O ATOM 763 CB ARG A 37 -14.799 6.666 0.220 1.00 0.49 C ATOM 764 CG ARG A 37 -14.882 5.265 -0.359 1.00 0.47 C ATOM 765 CD ARG A 37 -16.199 4.620 0.016 1.00 0.52 C ATOM 766 NE ARG A 37 -16.157 4.029 1.352 1.00 0.49 N ATOM 767 CZ ARG A 37 -17.079 4.234 2.292 1.00 0.53 C ATOM 768 NH1 ARG A 37 -18.134 5.000 2.045 1.00 0.65 N ATOM 769 NH2 ARG A 37 -16.945 3.667 3.484 1.00 0.56 N ATOM 0 H ARG A 37 -16.451 6.751 -2.127 1.00 0.52 H new ATOM 0 HA ARG A 37 -15.559 8.599 -0.023 1.00 0.51 H new ATOM 0 HB2 ARG A 37 -13.755 6.894 0.436 1.00 0.49 H new ATOM 0 HB3 ARG A 37 -15.332 6.684 1.170 1.00 0.49 H new ATOM 0 HG2 ARG A 37 -14.785 5.306 -1.444 1.00 0.47 H new ATOM 0 HG3 ARG A 37 -14.054 4.661 0.012 1.00 0.47 H new ATOM 0 HD2 ARG A 37 -16.993 5.366 -0.026 1.00 0.52 H new ATOM 0 HD3 ARG A 37 -16.446 3.849 -0.714 1.00 0.52 H new ATOM 0 HE ARG A 37 -15.371 3.420 1.580 1.00 0.49 H new ATOM 0 HH11 ARG A 37 -18.244 5.437 1.130 1.00 0.65 H new ATOM 0 HH12 ARG A 37 -18.835 5.152 2.770 1.00 0.65 H new ATOM 0 HH21 ARG A 37 -16.137 3.075 3.679 1.00 0.56 H new ATOM 0 HH22 ARG A 37 -17.650 3.823 4.205 1.00 0.56 H new ATOM 783 N THR A 38 -13.279 8.810 -1.274 1.00 0.48 N ATOM 784 CA THR A 38 -12.289 9.338 -2.193 1.00 0.46 C ATOM 785 C THR A 38 -10.954 8.696 -1.967 1.00 0.42 C ATOM 786 O THR A 38 -10.290 8.957 -0.978 1.00 0.42 O ATOM 787 CB THR A 38 -12.132 10.855 -2.033 1.00 0.50 C ATOM 788 OG1 THR A 38 -12.247 11.215 -0.654 1.00 0.53 O ATOM 789 CG2 THR A 38 -13.160 11.613 -2.852 1.00 0.53 C ATOM 0 H THR A 38 -13.070 8.969 -0.288 1.00 0.48 H new ATOM 0 HA THR A 38 -12.641 9.115 -3.200 1.00 0.46 H new ATOM 0 HB THR A 38 -11.143 11.128 -2.401 1.00 0.50 H new ATOM 0 HG1 THR A 38 -12.144 12.185 -0.559 1.00 0.53 H new ATOM 0 HG21 THR A 38 -13.017 12.685 -2.713 1.00 0.53 H new ATOM 0 HG22 THR A 38 -13.040 11.365 -3.907 1.00 0.53 H new ATOM 0 HG23 THR A 38 -14.162 11.335 -2.525 1.00 0.53 H new ATOM 797 N ILE A 39 -10.551 7.866 -2.891 1.00 0.39 N ATOM 798 CA ILE A 39 -9.294 7.177 -2.757 1.00 0.35 C ATOM 799 C ILE A 39 -8.460 7.285 -4.008 1.00 0.33 C ATOM 800 O ILE A 39 -8.892 7.821 -5.024 1.00 0.36 O ATOM 801 CB ILE A 39 -9.523 5.706 -2.460 1.00 0.33 C ATOM 802 CG1 ILE A 39 -10.449 5.109 -3.494 1.00 0.33 C ATOM 803 CG2 ILE A 39 -10.115 5.549 -1.090 1.00 0.35 C ATOM 804 CD1 ILE A 39 -10.092 3.691 -3.836 1.00 0.29 C ATOM 0 H ILE A 39 -11.071 7.650 -3.741 1.00 0.39 H new ATOM 0 HA ILE A 39 -8.761 7.651 -1.933 1.00 0.35 H new ATOM 0 HB ILE A 39 -8.568 5.183 -2.497 1.00 0.33 H new ATOM 0 HG12 ILE A 39 -11.473 5.143 -3.122 1.00 0.33 H new ATOM 0 HG13 ILE A 39 -10.418 5.716 -4.399 1.00 0.33 H new ATOM 0 HG21 ILE A 39 -10.277 4.491 -0.883 1.00 0.35 H new ATOM 0 HG22 ILE A 39 -9.432 5.964 -0.349 1.00 0.35 H new ATOM 0 HG23 ILE A 39 -11.067 6.078 -1.042 1.00 0.35 H new ATOM 0 HD11 ILE A 39 -10.789 3.310 -4.583 1.00 0.29 H new ATOM 0 HD12 ILE A 39 -9.078 3.657 -4.235 1.00 0.29 H new ATOM 0 HD13 ILE A 39 -10.150 3.075 -2.939 1.00 0.29 H new ATOM 816 N SER A 40 -7.259 6.766 -3.920 1.00 0.29 N ATOM 817 CA SER A 40 -6.351 6.780 -5.038 1.00 0.28 C ATOM 818 C SER A 40 -5.397 5.615 -4.943 1.00 0.24 C ATOM 819 O SER A 40 -5.308 4.952 -3.909 1.00 0.22 O ATOM 820 CB SER A 40 -5.571 8.081 -5.078 1.00 0.30 C ATOM 821 OG SER A 40 -4.929 8.228 -6.321 1.00 0.30 O ATOM 0 H SER A 40 -6.887 6.326 -3.078 1.00 0.29 H new ATOM 0 HA SER A 40 -6.933 6.695 -5.955 1.00 0.28 H new ATOM 0 HB2 SER A 40 -6.244 8.921 -4.907 1.00 0.30 H new ATOM 0 HB3 SER A 40 -4.833 8.095 -4.276 1.00 0.30 H new ATOM 0 HG SER A 40 -4.324 8.998 -6.288 1.00 0.30 H new ATOM 827 N GLU A 41 -4.680 5.374 -6.017 1.00 0.23 N ATOM 828 CA GLU A 41 -3.744 4.289 -6.052 1.00 0.20 C ATOM 829 C GLU A 41 -2.348 4.794 -6.393 1.00 0.20 C ATOM 830 O GLU A 41 -2.180 5.653 -7.258 1.00 0.24 O ATOM 831 CB GLU A 41 -4.227 3.262 -7.070 1.00 0.21 C ATOM 832 CG GLU A 41 -3.771 1.843 -6.784 1.00 0.21 C ATOM 833 CD GLU A 41 -3.021 1.224 -7.946 1.00 0.35 C ATOM 834 OE1 GLU A 41 -3.558 1.234 -9.075 1.00 0.48 O ATOM 835 OE2 GLU A 41 -1.898 0.729 -7.729 1.00 0.53 O ATOM 0 H GLU A 41 -4.732 5.920 -6.877 1.00 0.23 H new ATOM 0 HA GLU A 41 -3.684 3.819 -5.070 1.00 0.20 H new ATOM 0 HB2 GLU A 41 -5.316 3.283 -7.102 1.00 0.21 H new ATOM 0 HB3 GLU A 41 -3.874 3.553 -8.059 1.00 0.21 H new ATOM 0 HG2 GLU A 41 -3.131 1.842 -5.902 1.00 0.21 H new ATOM 0 HG3 GLU A 41 -4.639 1.227 -6.548 1.00 0.21 H new ATOM 842 N ALA A 42 -1.351 4.261 -5.699 1.00 0.17 N ATOM 843 CA ALA A 42 0.034 4.664 -5.907 1.00 0.18 C ATOM 844 C ALA A 42 0.982 3.500 -5.665 1.00 0.17 C ATOM 845 O ALA A 42 0.893 2.821 -4.649 1.00 0.15 O ATOM 846 CB ALA A 42 0.373 5.816 -4.982 1.00 0.20 C ATOM 0 H ALA A 42 -1.477 3.545 -4.984 1.00 0.17 H new ATOM 0 HA ALA A 42 0.151 4.984 -6.942 1.00 0.18 H new ATOM 0 HB1 ALA A 42 1.409 6.116 -5.139 1.00 0.20 H new ATOM 0 HB2 ALA A 42 -0.285 6.659 -5.194 1.00 0.20 H new ATOM 0 HB3 ALA A 42 0.239 5.503 -3.947 1.00 0.20 H new ATOM 852 N ILE A 43 1.889 3.273 -6.605 1.00 0.19 N ATOM 853 CA ILE A 43 2.852 2.183 -6.493 1.00 0.20 C ATOM 854 C ILE A 43 4.092 2.584 -5.688 1.00 0.21 C ATOM 855 O ILE A 43 4.649 3.648 -5.882 1.00 0.23 O ATOM 856 CB ILE A 43 3.302 1.696 -7.892 1.00 0.23 C ATOM 857 CG1 ILE A 43 2.086 1.400 -8.771 1.00 0.24 C ATOM 858 CG2 ILE A 43 4.190 0.462 -7.784 1.00 0.25 C ATOM 859 CD1 ILE A 43 1.095 0.451 -8.134 1.00 0.21 C ATOM 0 H ILE A 43 1.979 3.829 -7.455 1.00 0.19 H new ATOM 0 HA ILE A 43 2.342 1.377 -5.965 1.00 0.20 H new ATOM 0 HB ILE A 43 3.884 2.493 -8.355 1.00 0.23 H new ATOM 0 HG12 ILE A 43 1.580 2.337 -9.005 1.00 0.24 H new ATOM 0 HG13 ILE A 43 2.426 0.977 -9.716 1.00 0.24 H new ATOM 0 HG21 ILE A 43 4.491 0.142 -8.782 1.00 0.25 H new ATOM 0 HG22 ILE A 43 5.076 0.702 -7.197 1.00 0.25 H new ATOM 0 HG23 ILE A 43 3.638 -0.342 -7.296 1.00 0.25 H new ATOM 0 HD11 ILE A 43 0.259 0.287 -8.814 1.00 0.21 H new ATOM 0 HD12 ILE A 43 1.585 -0.500 -7.925 1.00 0.21 H new ATOM 0 HD13 ILE A 43 0.726 0.881 -7.203 1.00 0.21 H new ATOM 871 N VAL A 44 4.435 1.739 -4.728 1.00 0.19 N ATOM 872 CA VAL A 44 5.615 1.869 -3.880 1.00 0.20 C ATOM 873 C VAL A 44 6.336 0.558 -3.841 1.00 0.22 C ATOM 874 O VAL A 44 5.833 -0.482 -4.264 1.00 0.23 O ATOM 875 CB VAL A 44 5.212 2.097 -2.388 1.00 0.21 C ATOM 876 CG1 VAL A 44 4.902 3.528 -2.077 1.00 0.27 C ATOM 877 CG2 VAL A 44 3.908 1.479 -2.240 1.00 0.16 C ATOM 0 H VAL A 44 3.880 0.912 -4.508 1.00 0.19 H new ATOM 0 HA VAL A 44 6.204 2.693 -4.282 1.00 0.20 H new ATOM 0 HB VAL A 44 6.028 1.727 -1.767 1.00 0.21 H new ATOM 0 HG11 VAL A 44 4.629 3.621 -1.026 1.00 0.27 H new ATOM 0 HG12 VAL A 44 5.779 4.143 -2.280 1.00 0.27 H new ATOM 0 HG13 VAL A 44 4.072 3.864 -2.698 1.00 0.27 H new ATOM 0 HG21 VAL A 44 3.562 1.601 -1.214 1.00 0.16 H new ATOM 0 HG22 VAL A 44 3.201 1.954 -2.920 1.00 0.16 H new ATOM 0 HG23 VAL A 44 3.980 0.417 -2.475 1.00 0.16 H new ATOM 887 N GLY A 45 7.506 0.643 -3.313 1.00 0.24 N ATOM 888 CA GLY A 45 8.272 -0.553 -3.003 1.00 0.26 C ATOM 889 C GLY A 45 9.681 -0.249 -2.534 1.00 0.29 C ATOM 890 O GLY A 45 10.136 0.892 -2.607 1.00 0.29 O ATOM 0 H GLY A 45 7.970 1.521 -3.080 1.00 0.24 H new ATOM 0 HA2 GLY A 45 7.753 -1.120 -2.231 1.00 0.26 H new ATOM 0 HA3 GLY A 45 8.319 -1.188 -3.888 1.00 0.26 H new ATOM 894 N ASP A 46 10.371 -1.279 -2.055 1.00 0.31 N ATOM 895 CA ASP A 46 11.739 -1.129 -1.569 1.00 0.34 C ATOM 896 C ASP A 46 12.662 -2.140 -2.240 1.00 0.38 C ATOM 897 O ASP A 46 12.309 -2.736 -3.257 1.00 0.39 O ATOM 898 CB ASP A 46 11.788 -1.303 -0.049 1.00 0.33 C ATOM 899 CG ASP A 46 11.212 -2.631 0.406 1.00 0.34 C ATOM 900 OD1 ASP A 46 10.821 -3.440 -0.460 1.00 0.34 O ATOM 901 OD2 ASP A 46 11.151 -2.860 1.633 1.00 0.34 O ATOM 0 H ASP A 46 10.005 -2.229 -1.993 1.00 0.31 H new ATOM 0 HA ASP A 46 12.081 -0.125 -1.820 1.00 0.34 H new ATOM 0 HB2 ASP A 46 12.821 -1.225 0.289 1.00 0.33 H new ATOM 0 HB3 ASP A 46 11.236 -0.491 0.424 1.00 0.33 H new ATOM 906 N GLU A 47 13.843 -2.333 -1.661 1.00 0.40 N ATOM 907 CA GLU A 47 14.817 -3.270 -2.207 1.00 0.44 C ATOM 908 C GLU A 47 14.436 -4.716 -1.896 1.00 0.45 C ATOM 909 O GLU A 47 15.159 -5.645 -2.250 1.00 0.49 O ATOM 910 CB GLU A 47 16.211 -2.971 -1.650 1.00 0.46 C ATOM 911 CG GLU A 47 16.239 -2.776 -0.142 1.00 0.45 C ATOM 912 CD GLU A 47 17.350 -3.561 0.527 1.00 0.48 C ATOM 913 OE1 GLU A 47 17.447 -4.780 0.278 1.00 0.51 O ATOM 914 OE2 GLU A 47 18.121 -2.955 1.300 1.00 0.49 O ATOM 0 H GLU A 47 14.148 -1.853 -0.814 1.00 0.40 H new ATOM 0 HA GLU A 47 14.825 -3.145 -3.290 1.00 0.44 H new ATOM 0 HB2 GLU A 47 16.881 -3.789 -1.914 1.00 0.46 H new ATOM 0 HB3 GLU A 47 16.600 -2.073 -2.131 1.00 0.46 H new ATOM 0 HG2 GLU A 47 16.363 -1.716 0.081 1.00 0.45 H new ATOM 0 HG3 GLU A 47 15.280 -3.081 0.278 1.00 0.45 H new ATOM 921 N THR A 48 13.299 -4.900 -1.228 1.00 0.43 N ATOM 922 CA THR A 48 12.837 -6.237 -0.869 1.00 0.44 C ATOM 923 C THR A 48 11.660 -6.680 -1.732 1.00 0.43 C ATOM 924 O THR A 48 11.119 -7.771 -1.540 1.00 0.44 O ATOM 925 CB THR A 48 12.426 -6.299 0.611 1.00 0.43 C ATOM 926 OG1 THR A 48 11.092 -5.806 0.772 1.00 0.39 O ATOM 927 CG2 THR A 48 13.380 -5.478 1.463 1.00 0.43 C ATOM 0 H THR A 48 12.684 -4.144 -0.926 1.00 0.43 H new ATOM 0 HA THR A 48 13.673 -6.914 -1.044 1.00 0.44 H new ATOM 0 HB THR A 48 12.468 -7.338 0.937 1.00 0.43 H new ATOM 0 HG1 THR A 48 10.928 -5.090 0.124 1.00 0.39 H new ATOM 0 HG21 THR A 48 13.074 -5.533 2.508 1.00 0.43 H new ATOM 0 HG22 THR A 48 14.391 -5.872 1.360 1.00 0.43 H new ATOM 0 HG23 THR A 48 13.360 -4.439 1.133 1.00 0.43 H new ATOM 935 N GLY A 49 11.266 -5.837 -2.681 1.00 0.41 N ATOM 936 CA GLY A 49 10.156 -6.177 -3.554 1.00 0.41 C ATOM 937 C GLY A 49 9.316 -4.974 -3.938 1.00 0.37 C ATOM 938 O GLY A 49 9.836 -3.868 -4.081 1.00 0.36 O ATOM 0 H GLY A 49 11.693 -4.928 -2.861 1.00 0.41 H new ATOM 0 HA2 GLY A 49 10.543 -6.647 -4.458 1.00 0.41 H new ATOM 0 HA3 GLY A 49 9.523 -6.912 -3.058 1.00 0.41 H new ATOM 942 N ARG A 50 8.026 -5.215 -4.128 1.00 0.35 N ATOM 943 CA ARG A 50 7.104 -4.185 -4.519 1.00 0.31 C ATOM 944 C ARG A 50 5.685 -4.577 -4.137 1.00 0.29 C ATOM 945 O ARG A 50 5.300 -5.740 -4.218 1.00 0.31 O ATOM 946 CB ARG A 50 7.183 -3.959 -6.021 1.00 0.33 C ATOM 947 CG ARG A 50 6.178 -2.951 -6.513 1.00 0.30 C ATOM 948 CD ARG A 50 5.737 -3.259 -7.929 1.00 0.32 C ATOM 949 NE ARG A 50 6.690 -2.778 -8.922 1.00 0.36 N ATOM 950 CZ ARG A 50 6.341 -2.286 -10.109 1.00 0.38 C ATOM 951 NH1 ARG A 50 5.060 -2.195 -10.443 1.00 0.38 N ATOM 952 NH2 ARG A 50 7.274 -1.880 -10.958 1.00 0.42 N ATOM 0 H ARG A 50 7.600 -6.134 -4.013 1.00 0.35 H new ATOM 0 HA ARG A 50 7.371 -3.264 -4.001 1.00 0.31 H new ATOM 0 HB2 ARG A 50 8.186 -3.622 -6.281 1.00 0.33 H new ATOM 0 HB3 ARG A 50 7.022 -4.906 -6.535 1.00 0.33 H new ATOM 0 HG2 ARG A 50 5.311 -2.947 -5.853 1.00 0.30 H new ATOM 0 HG3 ARG A 50 6.613 -1.952 -6.474 1.00 0.30 H new ATOM 0 HD2 ARG A 50 5.610 -4.336 -8.042 1.00 0.32 H new ATOM 0 HD3 ARG A 50 4.764 -2.803 -8.112 1.00 0.32 H new ATOM 0 HE ARG A 50 7.683 -2.821 -8.694 1.00 0.36 H new ATOM 0 HH11 ARG A 50 4.340 -2.502 -9.790 1.00 0.38 H new ATOM 0 HH12 ARG A 50 4.796 -1.818 -11.353 1.00 0.38 H new ATOM 0 HH21 ARG A 50 8.259 -1.944 -10.702 1.00 0.42 H new ATOM 0 HH22 ARG A 50 7.007 -1.503 -11.867 1.00 0.42 H new ATOM 966 N VAL A 51 4.922 -3.586 -3.734 1.00 0.25 N ATOM 967 CA VAL A 51 3.545 -3.779 -3.325 1.00 0.23 C ATOM 968 C VAL A 51 2.699 -2.542 -3.648 1.00 0.19 C ATOM 969 O VAL A 51 3.110 -1.411 -3.391 1.00 0.18 O ATOM 970 CB VAL A 51 3.462 -4.094 -1.816 1.00 0.23 C ATOM 971 CG1 VAL A 51 4.193 -3.042 -0.993 1.00 0.22 C ATOM 972 CG2 VAL A 51 2.018 -4.192 -1.387 1.00 0.21 C ATOM 0 H VAL A 51 5.239 -2.618 -3.680 1.00 0.25 H new ATOM 0 HA VAL A 51 3.148 -4.627 -3.883 1.00 0.23 H new ATOM 0 HB VAL A 51 3.950 -5.052 -1.640 1.00 0.23 H new ATOM 0 HG11 VAL A 51 4.117 -3.291 0.066 1.00 0.22 H new ATOM 0 HG12 VAL A 51 5.243 -3.016 -1.285 1.00 0.22 H new ATOM 0 HG13 VAL A 51 3.743 -2.065 -1.169 1.00 0.22 H new ATOM 0 HG21 VAL A 51 1.969 -4.414 -0.321 1.00 0.21 H new ATOM 0 HG22 VAL A 51 1.515 -3.245 -1.583 1.00 0.21 H new ATOM 0 HG23 VAL A 51 1.525 -4.987 -1.946 1.00 0.21 H new ATOM 982 N LYS A 52 1.523 -2.769 -4.234 1.00 0.18 N ATOM 983 CA LYS A 52 0.610 -1.683 -4.591 1.00 0.15 C ATOM 984 C LYS A 52 0.034 -0.995 -3.340 1.00 0.13 C ATOM 985 O LYS A 52 -0.463 -1.661 -2.433 1.00 0.14 O ATOM 986 CB LYS A 52 -0.529 -2.230 -5.460 1.00 0.16 C ATOM 987 CG LYS A 52 -0.090 -3.325 -6.425 1.00 0.21 C ATOM 988 CD LYS A 52 -0.367 -2.949 -7.871 1.00 0.23 C ATOM 989 CE LYS A 52 0.349 -3.883 -8.838 1.00 0.29 C ATOM 990 NZ LYS A 52 -0.115 -5.293 -8.694 1.00 0.28 N ATOM 0 H LYS A 52 1.179 -3.699 -4.472 1.00 0.18 H new ATOM 0 HA LYS A 52 1.174 -0.937 -5.151 1.00 0.15 H new ATOM 0 HB2 LYS A 52 -1.313 -2.622 -4.812 1.00 0.16 H new ATOM 0 HB3 LYS A 52 -0.966 -1.410 -6.029 1.00 0.16 H new ATOM 0 HG2 LYS A 52 0.975 -3.516 -6.297 1.00 0.21 H new ATOM 0 HG3 LYS A 52 -0.611 -4.252 -6.184 1.00 0.21 H new ATOM 0 HD2 LYS A 52 -1.440 -2.984 -8.058 1.00 0.23 H new ATOM 0 HD3 LYS A 52 -0.045 -1.923 -8.049 1.00 0.23 H new ATOM 0 HE2 LYS A 52 0.178 -3.547 -9.861 1.00 0.29 H new ATOM 0 HE3 LYS A 52 1.424 -3.834 -8.662 1.00 0.29 H new ATOM 0 HZ1 LYS A 52 0.333 -5.882 -9.425 1.00 0.28 H new ATOM 0 HZ2 LYS A 52 0.147 -5.650 -7.753 1.00 0.28 H new ATOM 0 HZ3 LYS A 52 -1.148 -5.331 -8.804 1.00 0.28 H new ATOM 1004 N LEU A 53 0.114 0.341 -3.300 1.00 0.12 N ATOM 1005 CA LEU A 53 -0.398 1.123 -2.167 1.00 0.12 C ATOM 1006 C LEU A 53 -1.733 1.789 -2.507 1.00 0.13 C ATOM 1007 O LEU A 53 -1.926 2.320 -3.598 1.00 0.13 O ATOM 1008 CB LEU A 53 0.631 2.187 -1.746 1.00 0.13 C ATOM 1009 CG LEU A 53 0.502 2.760 -0.322 1.00 0.15 C ATOM 1010 CD1 LEU A 53 -0.580 3.829 -0.248 1.00 0.19 C ATOM 1011 CD2 LEU A 53 0.226 1.660 0.689 1.00 0.17 C ATOM 0 H LEU A 53 0.530 0.905 -4.042 1.00 0.12 H new ATOM 0 HA LEU A 53 -0.565 0.437 -1.336 1.00 0.12 H new ATOM 0 HB2 LEU A 53 1.626 1.755 -1.848 1.00 0.13 H new ATOM 0 HB3 LEU A 53 0.569 3.016 -2.451 1.00 0.13 H new ATOM 0 HG LEU A 53 1.456 3.225 -0.074 1.00 0.15 H new ATOM 0 HD11 LEU A 53 -0.644 4.212 0.771 1.00 0.19 H new ATOM 0 HD12 LEU A 53 -0.333 4.645 -0.927 1.00 0.19 H new ATOM 0 HD13 LEU A 53 -1.539 3.397 -0.534 1.00 0.19 H new ATOM 0 HD21 LEU A 53 0.140 2.094 1.685 1.00 0.17 H new ATOM 0 HD22 LEU A 53 -0.705 1.155 0.432 1.00 0.17 H new ATOM 0 HD23 LEU A 53 1.045 0.941 0.677 1.00 0.17 H new ATOM 1023 N THR A 54 -2.643 1.737 -1.549 1.00 0.16 N ATOM 1024 CA THR A 54 -3.970 2.316 -1.688 1.00 0.18 C ATOM 1025 C THR A 54 -4.286 3.268 -0.558 1.00 0.22 C ATOM 1026 O THR A 54 -4.487 2.862 0.575 1.00 0.25 O ATOM 1027 CB THR A 54 -5.091 1.276 -1.744 1.00 0.21 C ATOM 1028 OG1 THR A 54 -4.582 0.008 -2.176 1.00 0.22 O ATOM 1029 CG2 THR A 54 -6.161 1.761 -2.702 1.00 0.23 C ATOM 0 H THR A 54 -2.482 1.289 -0.647 1.00 0.16 H new ATOM 0 HA THR A 54 -3.935 2.845 -2.641 1.00 0.18 H new ATOM 0 HB THR A 54 -5.515 1.149 -0.748 1.00 0.21 H new ATOM 0 HG1 THR A 54 -3.987 -0.357 -1.488 1.00 0.22 H new ATOM 0 HG21 THR A 54 -6.966 1.027 -2.750 1.00 0.23 H new ATOM 0 HG22 THR A 54 -6.559 2.713 -2.351 1.00 0.23 H new ATOM 0 HG23 THR A 54 -5.729 1.891 -3.694 1.00 0.23 H new ATOM 1037 N LEU A 55 -4.367 4.520 -0.889 1.00 0.22 N ATOM 1038 CA LEU A 55 -4.668 5.565 0.062 1.00 0.26 C ATOM 1039 C LEU A 55 -6.174 5.679 0.270 1.00 0.28 C ATOM 1040 O LEU A 55 -6.949 5.315 -0.613 1.00 0.28 O ATOM 1041 CB LEU A 55 -4.124 6.847 -0.494 1.00 0.26 C ATOM 1042 CG LEU A 55 -2.821 6.678 -1.275 1.00 0.24 C ATOM 1043 CD1 LEU A 55 -2.982 7.197 -2.675 1.00 0.24 C ATOM 1044 CD2 LEU A 55 -1.670 7.379 -0.589 1.00 0.25 C ATOM 0 H LEU A 55 -4.225 4.858 -1.841 1.00 0.22 H new ATOM 0 HA LEU A 55 -4.217 5.342 1.029 1.00 0.26 H new ATOM 0 HB2 LEU A 55 -4.873 7.295 -1.147 1.00 0.26 H new ATOM 0 HB3 LEU A 55 -3.957 7.546 0.326 1.00 0.26 H new ATOM 0 HG LEU A 55 -2.591 5.613 -1.312 1.00 0.24 H new ATOM 0 HD11 LEU A 55 -2.046 7.070 -3.220 1.00 0.24 H new ATOM 0 HD12 LEU A 55 -3.774 6.643 -3.180 1.00 0.24 H new ATOM 0 HD13 LEU A 55 -3.243 8.255 -2.643 1.00 0.24 H new ATOM 0 HD21 LEU A 55 -0.759 7.238 -1.171 1.00 0.25 H new ATOM 0 HD22 LEU A 55 -1.888 8.444 -0.509 1.00 0.25 H new ATOM 0 HD23 LEU A 55 -1.531 6.961 0.408 1.00 0.25 H new ATOM 1056 N TRP A 56 -6.591 6.202 1.421 1.00 0.32 N ATOM 1057 CA TRP A 56 -8.019 6.306 1.718 1.00 0.36 C ATOM 1058 C TRP A 56 -8.456 7.684 2.220 1.00 0.40 C ATOM 1059 O TRP A 56 -7.937 8.209 3.206 1.00 0.42 O ATOM 1060 CB TRP A 56 -8.392 5.206 2.710 1.00 0.36 C ATOM 1061 CG TRP A 56 -8.536 3.879 2.030 1.00 0.33 C ATOM 1062 CD1 TRP A 56 -7.558 2.929 1.879 1.00 0.30 C ATOM 1063 CD2 TRP A 56 -9.713 3.359 1.376 1.00 0.34 C ATOM 1064 NE1 TRP A 56 -8.037 1.870 1.157 1.00 0.30 N ATOM 1065 CE2 TRP A 56 -9.370 2.105 0.848 1.00 0.31 C ATOM 1066 CE3 TRP A 56 -11.015 3.834 1.182 1.00 0.38 C ATOM 1067 CZ2 TRP A 56 -10.281 1.332 0.138 1.00 0.32 C ATOM 1068 CZ3 TRP A 56 -11.906 3.063 0.478 1.00 0.38 C ATOM 1069 CH2 TRP A 56 -11.538 1.829 -0.039 1.00 0.34 C ATOM 0 H TRP A 56 -5.974 6.555 2.152 1.00 0.32 H new ATOM 0 HA TRP A 56 -8.560 6.174 0.781 1.00 0.36 H new ATOM 0 HB2 TRP A 56 -7.628 5.138 3.484 1.00 0.36 H new ATOM 0 HB3 TRP A 56 -9.327 5.465 3.207 1.00 0.36 H new ATOM 0 HD1 TRP A 56 -6.555 3.006 2.273 1.00 0.30 H new ATOM 0 HE1 TRP A 56 -7.502 1.043 0.890 1.00 0.30 H new ATOM 0 HE3 TRP A 56 -11.314 4.792 1.580 1.00 0.38 H new ATOM 0 HZ2 TRP A 56 -10.002 0.368 -0.261 1.00 0.32 H new ATOM 0 HZ3 TRP A 56 -12.912 3.424 0.324 1.00 0.38 H new ATOM 0 HH2 TRP A 56 -12.262 1.250 -0.593 1.00 0.34 H new ATOM 1080 N GLY A 57 -9.431 8.241 1.497 1.00 0.42 N ATOM 1081 CA GLY A 57 -10.021 9.541 1.800 1.00 0.47 C ATOM 1082 C GLY A 57 -9.078 10.721 1.601 1.00 0.47 C ATOM 1083 O GLY A 57 -8.939 11.212 0.482 1.00 0.46 O ATOM 0 H GLY A 57 -9.836 7.793 0.675 1.00 0.42 H new ATOM 0 HA2 GLY A 57 -10.900 9.683 1.171 1.00 0.47 H new ATOM 0 HA3 GLY A 57 -10.366 9.538 2.834 1.00 0.47 H new ATOM 1087 N LYS A 58 -8.432 11.184 2.672 1.00 0.49 N ATOM 1088 CA LYS A 58 -7.523 12.333 2.571 1.00 0.50 C ATOM 1089 C LYS A 58 -6.127 11.931 2.094 1.00 0.46 C ATOM 1090 O LYS A 58 -5.416 12.750 1.520 1.00 0.46 O ATOM 1091 CB LYS A 58 -7.451 13.108 3.898 1.00 0.54 C ATOM 1092 CG LYS A 58 -7.589 12.242 5.141 1.00 0.54 C ATOM 1093 CD LYS A 58 -6.325 11.446 5.404 1.00 0.51 C ATOM 1094 CE LYS A 58 -6.637 10.075 5.966 1.00 0.49 C ATOM 1095 NZ LYS A 58 -6.962 10.126 7.418 1.00 0.55 N ATOM 0 H LYS A 58 -8.517 10.789 3.609 1.00 0.49 H new ATOM 0 HA LYS A 58 -7.940 12.996 1.813 1.00 0.50 H new ATOM 0 HB2 LYS A 58 -6.500 13.638 3.944 1.00 0.54 H new ATOM 0 HB3 LYS A 58 -8.237 13.863 3.907 1.00 0.54 H new ATOM 0 HG2 LYS A 58 -7.810 12.872 6.003 1.00 0.54 H new ATOM 0 HG3 LYS A 58 -8.431 11.561 5.020 1.00 0.54 H new ATOM 0 HD2 LYS A 58 -5.761 11.340 4.477 1.00 0.51 H new ATOM 0 HD3 LYS A 58 -5.690 11.991 6.103 1.00 0.51 H new ATOM 0 HE2 LYS A 58 -7.477 9.643 5.422 1.00 0.49 H new ATOM 0 HE3 LYS A 58 -5.783 9.416 5.809 1.00 0.49 H new ATOM 0 HZ1 LYS A 58 -7.169 9.166 7.761 1.00 0.55 H new ATOM 0 HZ2 LYS A 58 -6.152 10.514 7.942 1.00 0.55 H new ATOM 0 HZ3 LYS A 58 -7.793 10.734 7.567 1.00 0.55 H new ATOM 1109 N HIS A 59 -5.740 10.676 2.330 1.00 0.42 N ATOM 1110 CA HIS A 59 -4.451 10.166 1.876 1.00 0.39 C ATOM 1111 C HIS A 59 -4.439 10.037 0.359 1.00 0.36 C ATOM 1112 O HIS A 59 -3.379 10.028 -0.270 1.00 0.34 O ATOM 1113 CB HIS A 59 -4.165 8.804 2.509 1.00 0.36 C ATOM 1114 CG HIS A 59 -3.602 8.887 3.894 1.00 0.38 C ATOM 1115 ND1 HIS A 59 -2.468 9.607 4.205 1.00 0.38 N ATOM 1116 CD2 HIS A 59 -4.021 8.329 5.052 1.00 0.39 C ATOM 1117 CE1 HIS A 59 -2.214 9.487 5.496 1.00 0.40 C ATOM 1118 NE2 HIS A 59 -3.143 8.719 6.032 1.00 0.41 N ATOM 0 H HIS A 59 -6.306 9.994 2.835 1.00 0.42 H new ATOM 0 HA HIS A 59 -3.677 10.870 2.181 1.00 0.39 H new ATOM 0 HB2 HIS A 59 -5.088 8.226 2.536 1.00 0.36 H new ATOM 0 HB3 HIS A 59 -3.466 8.259 1.875 1.00 0.36 H new ATOM 0 HD2 HIS A 59 -4.885 7.695 5.182 1.00 0.39 H new ATOM 0 HE1 HIS A 59 -1.387 9.940 6.023 1.00 0.40 H new ATOM 0 HE2 HIS A 59 -3.200 8.457 7.016 1.00 0.41 H new ATOM 1126 N ALA A 60 -5.631 9.942 -0.221 1.00 0.37 N ATOM 1127 CA ALA A 60 -5.783 9.806 -1.663 1.00 0.36 C ATOM 1128 C ALA A 60 -5.121 10.957 -2.413 1.00 0.37 C ATOM 1129 O ALA A 60 -5.443 12.123 -2.190 1.00 0.41 O ATOM 1130 CB ALA A 60 -7.256 9.722 -2.023 1.00 0.38 C ATOM 0 H ALA A 60 -6.512 9.957 0.292 1.00 0.37 H new ATOM 0 HA ALA A 60 -5.283 8.886 -1.966 1.00 0.36 H new ATOM 0 HB1 ALA A 60 -7.361 9.620 -3.103 1.00 0.38 H new ATOM 0 HB2 ALA A 60 -7.702 8.857 -1.532 1.00 0.38 H new ATOM 0 HB3 ALA A 60 -7.764 10.628 -1.693 1.00 0.38 H new ATOM 1136 N GLY A 61 -4.194 10.615 -3.304 1.00 0.35 N ATOM 1137 CA GLY A 61 -3.499 11.624 -4.086 1.00 0.37 C ATOM 1138 C GLY A 61 -2.774 12.649 -3.231 1.00 0.39 C ATOM 1139 O GLY A 61 -2.264 13.644 -3.747 1.00 0.41 O ATOM 0 H GLY A 61 -3.911 9.655 -3.499 1.00 0.35 H new ATOM 0 HA2 GLY A 61 -2.780 11.134 -4.742 1.00 0.37 H new ATOM 0 HA3 GLY A 61 -4.217 12.137 -4.726 1.00 0.37 H new ATOM 1143 N SER A 62 -2.726 12.411 -1.925 1.00 0.39 N ATOM 1144 CA SER A 62 -2.061 13.329 -1.006 1.00 0.41 C ATOM 1145 C SER A 62 -0.564 13.053 -0.937 1.00 0.39 C ATOM 1146 O SER A 62 0.213 13.904 -0.501 1.00 0.41 O ATOM 1147 CB SER A 62 -2.676 13.220 0.391 1.00 0.42 C ATOM 1148 OG SER A 62 -1.859 13.856 1.358 1.00 0.44 O ATOM 0 H SER A 62 -3.139 11.592 -1.479 1.00 0.39 H new ATOM 0 HA SER A 62 -2.204 14.342 -1.383 1.00 0.41 H new ATOM 0 HB2 SER A 62 -3.667 13.674 0.392 1.00 0.42 H new ATOM 0 HB3 SER A 62 -2.806 12.170 0.654 1.00 0.42 H new ATOM 0 HG SER A 62 -2.274 13.774 2.242 1.00 0.44 H new ATOM 1154 N ILE A 63 -0.160 11.862 -1.366 1.00 0.35 N ATOM 1155 CA ILE A 63 1.247 11.483 -1.344 1.00 0.33 C ATOM 1156 C ILE A 63 2.029 12.163 -2.461 1.00 0.35 C ATOM 1157 O ILE A 63 1.455 12.802 -3.343 1.00 0.37 O ATOM 1158 CB ILE A 63 1.430 9.957 -1.456 1.00 0.29 C ATOM 1159 CG1 ILE A 63 0.553 9.395 -2.571 1.00 0.28 C ATOM 1160 CG2 ILE A 63 1.103 9.289 -0.129 1.00 0.28 C ATOM 1161 CD1 ILE A 63 1.344 8.783 -3.706 1.00 0.26 C ATOM 0 H ILE A 63 -0.786 11.145 -1.732 1.00 0.35 H new ATOM 0 HA ILE A 63 1.638 11.816 -0.382 1.00 0.33 H new ATOM 0 HB ILE A 63 2.471 9.747 -1.702 1.00 0.29 H new ATOM 0 HG12 ILE A 63 -0.113 8.640 -2.154 1.00 0.28 H new ATOM 0 HG13 ILE A 63 -0.076 10.193 -2.965 1.00 0.28 H new ATOM 0 HG21 ILE A 63 1.236 8.211 -0.222 1.00 0.28 H new ATOM 0 HG22 ILE A 63 1.769 9.672 0.645 1.00 0.28 H new ATOM 0 HG23 ILE A 63 0.070 9.505 0.142 1.00 0.28 H new ATOM 0 HD11 ILE A 63 0.659 8.403 -4.464 1.00 0.26 H new ATOM 0 HD12 ILE A 63 1.991 9.541 -4.149 1.00 0.26 H new ATOM 0 HD13 ILE A 63 1.953 7.964 -3.325 1.00 0.26 H new ATOM 1173 N LYS A 64 3.345 12.012 -2.406 1.00 0.34 N ATOM 1174 CA LYS A 64 4.244 12.606 -3.385 1.00 0.36 C ATOM 1175 C LYS A 64 4.729 11.568 -4.392 1.00 0.34 C ATOM 1176 O LYS A 64 4.267 10.428 -4.407 1.00 0.31 O ATOM 1177 CB LYS A 64 5.437 13.252 -2.683 1.00 0.38 C ATOM 1178 CG LYS A 64 5.294 14.754 -2.493 1.00 0.41 C ATOM 1179 CD LYS A 64 6.596 15.384 -2.026 1.00 0.43 C ATOM 1180 CE LYS A 64 6.344 16.609 -1.162 1.00 0.46 C ATOM 1181 NZ LYS A 64 7.578 17.055 -0.455 1.00 0.47 N ATOM 0 H LYS A 64 3.819 11.474 -1.681 1.00 0.34 H new ATOM 0 HA LYS A 64 3.690 13.372 -3.928 1.00 0.36 H new ATOM 0 HB2 LYS A 64 5.572 12.783 -1.709 1.00 0.38 H new ATOM 0 HB3 LYS A 64 6.339 13.052 -3.261 1.00 0.38 H new ATOM 0 HG2 LYS A 64 4.983 15.212 -3.432 1.00 0.41 H new ATOM 0 HG3 LYS A 64 4.509 14.956 -1.764 1.00 0.41 H new ATOM 0 HD2 LYS A 64 7.174 14.652 -1.462 1.00 0.43 H new ATOM 0 HD3 LYS A 64 7.196 15.665 -2.891 1.00 0.43 H new ATOM 0 HE2 LYS A 64 5.969 17.421 -1.785 1.00 0.46 H new ATOM 0 HE3 LYS A 64 5.568 16.384 -0.430 1.00 0.46 H new ATOM 0 HZ1 LYS A 64 7.363 17.892 0.123 1.00 0.47 H new ATOM 0 HZ2 LYS A 64 7.922 16.289 0.159 1.00 0.47 H new ATOM 0 HZ3 LYS A 64 8.311 17.295 -1.153 1.00 0.47 H new ATOM 1195 N GLU A 65 5.667 11.989 -5.228 1.00 0.36 N ATOM 1196 CA GLU A 65 6.252 11.134 -6.253 1.00 0.36 C ATOM 1197 C GLU A 65 7.473 10.447 -5.666 1.00 0.35 C ATOM 1198 O GLU A 65 7.714 10.563 -4.471 1.00 0.34 O ATOM 1199 CB GLU A 65 6.640 11.951 -7.488 1.00 0.40 C ATOM 1200 CG GLU A 65 5.840 11.592 -8.729 1.00 0.40 C ATOM 1201 CD GLU A 65 5.865 12.689 -9.775 1.00 0.44 C ATOM 1202 OE1 GLU A 65 6.958 12.980 -10.304 1.00 0.47 O ATOM 1203 OE2 GLU A 65 4.792 13.257 -10.065 1.00 0.45 O ATOM 0 H GLU A 65 6.046 12.936 -5.215 1.00 0.36 H new ATOM 0 HA GLU A 65 5.521 10.389 -6.568 1.00 0.36 H new ATOM 0 HB2 GLU A 65 6.503 13.010 -7.271 1.00 0.40 H new ATOM 0 HB3 GLU A 65 7.700 11.803 -7.693 1.00 0.40 H new ATOM 0 HG2 GLU A 65 6.238 10.674 -9.161 1.00 0.40 H new ATOM 0 HG3 GLU A 65 4.807 11.389 -8.445 1.00 0.40 H new ATOM 1210 N GLY A 66 8.223 9.723 -6.495 1.00 0.36 N ATOM 1211 CA GLY A 66 9.375 8.978 -6.004 1.00 0.35 C ATOM 1212 C GLY A 66 10.195 9.723 -4.966 1.00 0.36 C ATOM 1213 O GLY A 66 11.192 10.374 -5.278 1.00 0.39 O ATOM 0 H GLY A 66 8.055 9.638 -7.497 1.00 0.36 H new ATOM 0 HA2 GLY A 66 9.030 8.038 -5.573 1.00 0.35 H new ATOM 0 HA3 GLY A 66 10.018 8.726 -6.847 1.00 0.35 H new ATOM 1217 N GLN A 67 9.741 9.608 -3.717 1.00 0.34 N ATOM 1218 CA GLN A 67 10.387 10.224 -2.567 1.00 0.35 C ATOM 1219 C GLN A 67 10.409 9.219 -1.415 1.00 0.32 C ATOM 1220 O GLN A 67 9.643 8.258 -1.418 1.00 0.30 O ATOM 1221 CB GLN A 67 9.637 11.495 -2.148 1.00 0.36 C ATOM 1222 CG GLN A 67 8.202 11.249 -1.712 1.00 0.34 C ATOM 1223 CD GLN A 67 8.024 11.331 -0.213 1.00 0.33 C ATOM 1224 OE1 GLN A 67 7.647 12.371 0.326 1.00 0.35 O ATOM 1225 NE2 GLN A 67 8.295 10.229 0.469 1.00 0.31 N ATOM 0 H GLN A 67 8.904 9.077 -3.477 1.00 0.34 H new ATOM 0 HA GLN A 67 11.407 10.504 -2.830 1.00 0.35 H new ATOM 0 HB2 GLN A 67 10.178 11.971 -1.330 1.00 0.36 H new ATOM 0 HB3 GLN A 67 9.638 12.197 -2.982 1.00 0.36 H new ATOM 0 HG2 GLN A 67 7.551 11.980 -2.191 1.00 0.34 H new ATOM 0 HG3 GLN A 67 7.885 10.265 -2.058 1.00 0.34 H new ATOM 0 HE21 GLN A 67 8.605 9.390 -0.021 1.00 0.31 H new ATOM 0 HE22 GLN A 67 8.194 10.220 1.484 1.00 0.31 H new ATOM 1234 N VAL A 68 11.279 9.436 -0.434 1.00 0.33 N ATOM 1235 CA VAL A 68 11.367 8.517 0.700 1.00 0.31 C ATOM 1236 C VAL A 68 10.243 8.753 1.700 1.00 0.30 C ATOM 1237 O VAL A 68 10.175 9.804 2.340 1.00 0.32 O ATOM 1238 CB VAL A 68 12.714 8.636 1.435 1.00 0.33 C ATOM 1239 CG1 VAL A 68 12.950 7.406 2.297 1.00 0.32 C ATOM 1240 CG2 VAL A 68 13.853 8.832 0.445 1.00 0.36 C ATOM 0 H VAL A 68 11.924 10.225 -0.398 1.00 0.33 H new ATOM 0 HA VAL A 68 11.277 7.514 0.282 1.00 0.31 H new ATOM 0 HB VAL A 68 12.681 9.511 2.084 1.00 0.33 H new ATOM 0 HG11 VAL A 68 13.906 7.501 2.812 1.00 0.32 H new ATOM 0 HG12 VAL A 68 12.149 7.317 3.031 1.00 0.32 H new ATOM 0 HG13 VAL A 68 12.965 6.517 1.666 1.00 0.32 H new ATOM 0 HG21 VAL A 68 14.796 8.914 0.986 1.00 0.36 H new ATOM 0 HG22 VAL A 68 13.897 7.980 -0.233 1.00 0.36 H new ATOM 0 HG23 VAL A 68 13.684 9.743 -0.128 1.00 0.36 H new ATOM 1250 N VAL A 69 9.365 7.763 1.835 1.00 0.28 N ATOM 1251 CA VAL A 69 8.243 7.847 2.765 1.00 0.27 C ATOM 1252 C VAL A 69 8.331 6.749 3.811 1.00 0.27 C ATOM 1253 O VAL A 69 9.233 5.914 3.776 1.00 0.27 O ATOM 1254 CB VAL A 69 6.873 7.730 2.054 1.00 0.26 C ATOM 1255 CG1 VAL A 69 6.097 9.033 2.160 1.00 0.28 C ATOM 1256 CG2 VAL A 69 7.039 7.313 0.598 1.00 0.24 C ATOM 0 H VAL A 69 9.410 6.890 1.310 1.00 0.28 H new ATOM 0 HA VAL A 69 8.310 8.829 3.233 1.00 0.27 H new ATOM 0 HB VAL A 69 6.301 6.951 2.558 1.00 0.26 H new ATOM 0 HG11 VAL A 69 5.138 8.927 1.653 1.00 0.28 H new ATOM 0 HG12 VAL A 69 5.928 9.272 3.210 1.00 0.28 H new ATOM 0 HG13 VAL A 69 6.668 9.835 1.693 1.00 0.28 H new ATOM 0 HG21 VAL A 69 6.059 7.240 0.127 1.00 0.24 H new ATOM 0 HG22 VAL A 69 7.640 8.056 0.073 1.00 0.24 H new ATOM 0 HG23 VAL A 69 7.537 6.345 0.551 1.00 0.24 H new ATOM 1266 N LYS A 70 7.387 6.757 4.741 1.00 0.27 N ATOM 1267 CA LYS A 70 7.349 5.755 5.794 1.00 0.28 C ATOM 1268 C LYS A 70 5.915 5.336 6.076 1.00 0.28 C ATOM 1269 O LYS A 70 5.137 6.096 6.655 1.00 0.30 O ATOM 1270 CB LYS A 70 7.996 6.302 7.068 1.00 0.31 C ATOM 1271 CG LYS A 70 8.318 5.229 8.095 1.00 0.32 C ATOM 1272 CD LYS A 70 7.814 5.611 9.477 1.00 0.35 C ATOM 1273 CE LYS A 70 8.361 4.679 10.544 1.00 0.37 C ATOM 1274 NZ LYS A 70 7.830 5.009 11.896 1.00 0.40 N ATOM 0 H LYS A 70 6.637 7.447 4.787 1.00 0.27 H new ATOM 0 HA LYS A 70 7.909 4.881 5.461 1.00 0.28 H new ATOM 0 HB2 LYS A 70 8.914 6.827 6.803 1.00 0.31 H new ATOM 0 HB3 LYS A 70 7.328 7.036 7.519 1.00 0.31 H new ATOM 0 HG2 LYS A 70 7.866 4.285 7.790 1.00 0.32 H new ATOM 0 HG3 LYS A 70 9.396 5.070 8.131 1.00 0.32 H new ATOM 0 HD2 LYS A 70 8.107 6.636 9.702 1.00 0.35 H new ATOM 0 HD3 LYS A 70 6.724 5.581 9.490 1.00 0.35 H new ATOM 0 HE2 LYS A 70 8.103 3.650 10.294 1.00 0.37 H new ATOM 0 HE3 LYS A 70 9.449 4.741 10.557 1.00 0.37 H new ATOM 0 HZ1 LYS A 70 8.228 4.350 12.595 1.00 0.40 H new ATOM 0 HZ2 LYS A 70 8.098 5.982 12.146 1.00 0.40 H new ATOM 0 HZ3 LYS A 70 6.793 4.925 11.892 1.00 0.40 H new ATOM 1288 N ILE A 71 5.570 4.122 5.664 1.00 0.26 N ATOM 1289 CA ILE A 71 4.231 3.601 5.882 1.00 0.26 C ATOM 1290 C ILE A 71 4.065 3.154 7.323 1.00 0.29 C ATOM 1291 O ILE A 71 4.990 2.612 7.927 1.00 0.30 O ATOM 1292 CB ILE A 71 3.920 2.421 4.944 1.00 0.23 C ATOM 1293 CG1 ILE A 71 4.127 2.843 3.484 1.00 0.21 C ATOM 1294 CG2 ILE A 71 2.499 1.918 5.174 1.00 0.24 C ATOM 1295 CD1 ILE A 71 2.999 3.676 2.914 1.00 0.20 C ATOM 0 H ILE A 71 6.199 3.483 5.178 1.00 0.26 H new ATOM 0 HA ILE A 71 3.531 4.407 5.664 1.00 0.26 H new ATOM 0 HB ILE A 71 4.604 1.602 5.164 1.00 0.23 H new ATOM 0 HG12 ILE A 71 5.056 3.409 3.409 1.00 0.21 H new ATOM 0 HG13 ILE A 71 4.248 1.949 2.873 1.00 0.21 H new ATOM 0 HG21 ILE A 71 2.295 1.084 4.503 1.00 0.24 H new ATOM 0 HG22 ILE A 71 2.393 1.587 6.207 1.00 0.24 H new ATOM 0 HG23 ILE A 71 1.792 2.723 4.977 1.00 0.24 H new ATOM 0 HD11 ILE A 71 3.223 3.932 1.879 1.00 0.20 H new ATOM 0 HD12 ILE A 71 2.070 3.107 2.954 1.00 0.20 H new ATOM 0 HD13 ILE A 71 2.890 4.590 3.499 1.00 0.20 H new ATOM 1307 N GLU A 72 2.881 3.384 7.868 1.00 0.31 N ATOM 1308 CA GLU A 72 2.591 3.022 9.233 1.00 0.34 C ATOM 1309 C GLU A 72 1.521 1.952 9.288 1.00 0.35 C ATOM 1310 O GLU A 72 1.044 1.462 8.264 1.00 0.33 O ATOM 1311 CB GLU A 72 2.146 4.250 10.027 1.00 0.38 C ATOM 1312 CG GLU A 72 2.729 4.313 11.430 1.00 0.41 C ATOM 1313 CD GLU A 72 1.681 4.101 12.504 1.00 0.44 C ATOM 1314 OE1 GLU A 72 0.734 4.914 12.577 1.00 0.46 O ATOM 1315 OE2 GLU A 72 1.808 3.127 13.275 1.00 0.46 O ATOM 0 H GLU A 72 2.104 3.824 7.375 1.00 0.31 H new ATOM 0 HA GLU A 72 3.502 2.624 9.680 1.00 0.34 H new ATOM 0 HB2 GLU A 72 2.435 5.149 9.482 1.00 0.38 H new ATOM 0 HB3 GLU A 72 1.058 4.254 10.094 1.00 0.38 H new ATOM 0 HG2 GLU A 72 3.507 3.556 11.531 1.00 0.41 H new ATOM 0 HG3 GLU A 72 3.206 5.282 11.579 1.00 0.41 H new ATOM 1322 N ASN A 73 1.161 1.606 10.501 1.00 0.39 N ATOM 1323 CA ASN A 73 0.153 0.600 10.774 1.00 0.40 C ATOM 1324 C ASN A 73 -1.128 0.843 9.986 1.00 0.39 C ATOM 1325 O ASN A 73 -1.918 1.724 10.325 1.00 0.41 O ATOM 1326 CB ASN A 73 -0.168 0.666 12.256 1.00 0.45 C ATOM 1327 CG ASN A 73 -0.355 -0.700 12.884 1.00 0.47 C ATOM 1328 OD1 ASN A 73 0.599 -1.460 13.043 1.00 0.46 O ATOM 1329 ND2 ASN A 73 -1.593 -1.015 13.249 1.00 0.49 N ATOM 0 H ASN A 73 1.564 2.020 11.342 1.00 0.39 H new ATOM 0 HA ASN A 73 0.541 -0.375 10.479 1.00 0.40 H new ATOM 0 HB2 ASN A 73 0.636 1.190 12.773 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -1.075 1.253 12.400 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -1.783 -1.919 13.681 1.00 0.49 H new ATOM 0 HD22 ASN A 73 -2.354 -0.352 13.097 1.00 0.49 H new ATOM 1336 N ALA A 74 -1.282 0.044 8.936 1.00 0.36 N ATOM 1337 CA ALA A 74 -2.461 0.091 8.116 1.00 0.35 C ATOM 1338 C ALA A 74 -3.096 -1.284 8.061 1.00 0.36 C ATOM 1339 O ALA A 74 -3.731 -1.711 9.026 1.00 0.40 O ATOM 1340 CB ALA A 74 -2.095 0.563 6.722 1.00 0.31 C ATOM 0 H ALA A 74 -0.591 -0.646 8.640 1.00 0.36 H new ATOM 0 HA ALA A 74 -3.177 0.792 8.545 1.00 0.35 H new ATOM 0 HB1 ALA A 74 -2.991 0.598 6.103 1.00 0.31 H new ATOM 0 HB2 ALA A 74 -1.655 1.558 6.779 1.00 0.31 H new ATOM 0 HB3 ALA A 74 -1.376 -0.127 6.281 1.00 0.31 H new ATOM 1346 N TRP A 75 -2.856 -1.996 6.963 1.00 0.33 N ATOM 1347 CA TRP A 75 -3.392 -3.335 6.770 1.00 0.34 C ATOM 1348 C TRP A 75 -3.053 -3.849 5.396 1.00 0.31 C ATOM 1349 O TRP A 75 -2.512 -3.129 4.556 1.00 0.28 O ATOM 1350 CB TRP A 75 -4.910 -3.363 6.959 1.00 0.37 C ATOM 1351 CG TRP A 75 -5.649 -2.323 6.172 1.00 0.36 C ATOM 1352 CD1 TRP A 75 -6.019 -2.389 4.862 1.00 0.34 C ATOM 1353 CD2 TRP A 75 -6.112 -1.051 6.647 1.00 0.38 C ATOM 1354 NE1 TRP A 75 -6.681 -1.255 4.513 1.00 0.34 N ATOM 1355 CE2 TRP A 75 -6.749 -0.430 5.589 1.00 0.37 C ATOM 1356 CE3 TRP A 75 -6.049 -0.385 7.858 1.00 0.41 C ATOM 1357 CZ2 TRP A 75 -7.311 0.811 5.687 1.00 0.39 C ATOM 1358 CZ3 TRP A 75 -6.618 0.867 7.965 1.00 0.44 C ATOM 1359 CH2 TRP A 75 -7.245 1.452 6.864 1.00 0.42 C ATOM 0 H TRP A 75 -2.286 -1.660 6.186 1.00 0.33 H new ATOM 0 HA TRP A 75 -2.935 -3.978 7.523 1.00 0.34 H new ATOM 0 HB2 TRP A 75 -5.281 -4.348 6.676 1.00 0.37 H new ATOM 0 HB3 TRP A 75 -5.135 -3.229 8.017 1.00 0.37 H new ATOM 0 HD1 TRP A 75 -5.816 -3.218 4.201 1.00 0.34 H new ATOM 0 HE1 TRP A 75 -7.066 -1.055 3.590 1.00 0.34 H new ATOM 0 HE3 TRP A 75 -5.561 -0.839 8.708 1.00 0.41 H new ATOM 0 HZ2 TRP A 75 -7.797 1.266 4.837 1.00 0.39 H new ATOM 0 HZ3 TRP A 75 -6.578 1.397 8.905 1.00 0.44 H new ATOM 0 HH2 TRP A 75 -7.683 2.434 6.961 1.00 0.42 H new ATOM 1370 N THR A 76 -3.378 -5.103 5.180 1.00 0.32 N ATOM 1371 CA THR A 76 -3.124 -5.745 3.916 1.00 0.30 C ATOM 1372 C THR A 76 -4.337 -6.533 3.480 1.00 0.33 C ATOM 1373 O THR A 76 -4.927 -7.277 4.260 1.00 0.36 O ATOM 1374 CB THR A 76 -1.916 -6.682 3.989 1.00 0.31 C ATOM 1375 OG1 THR A 76 -1.941 -7.399 5.227 1.00 0.36 O ATOM 1376 CG2 THR A 76 -0.619 -5.906 3.868 1.00 0.29 C ATOM 0 H THR A 76 -3.824 -5.703 5.874 1.00 0.32 H new ATOM 0 HA THR A 76 -2.907 -4.961 3.190 1.00 0.30 H new ATOM 0 HB THR A 76 -1.971 -7.384 3.157 1.00 0.31 H new ATOM 0 HG1 THR A 76 -1.155 -7.981 5.284 1.00 0.36 H new ATOM 0 HG21 THR A 76 0.224 -6.595 3.923 1.00 0.29 H new ATOM 0 HG22 THR A 76 -0.597 -5.381 2.913 1.00 0.29 H new ATOM 0 HG23 THR A 76 -0.550 -5.183 4.681 1.00 0.29 H new ATOM 1384 N THR A 77 -4.698 -6.364 2.228 1.00 0.32 N ATOM 1385 CA THR A 77 -5.847 -7.042 1.673 1.00 0.36 C ATOM 1386 C THR A 77 -5.428 -7.786 0.412 1.00 0.32 C ATOM 1387 O THR A 77 -4.771 -7.221 -0.456 1.00 0.26 O ATOM 1388 CB THR A 77 -6.971 -6.025 1.365 1.00 0.38 C ATOM 1389 OG1 THR A 77 -6.679 -5.343 0.141 1.00 0.41 O ATOM 1390 CG2 THR A 77 -7.110 -4.998 2.500 1.00 0.37 C ATOM 0 H THR A 77 -4.208 -5.758 1.570 1.00 0.32 H new ATOM 0 HA THR A 77 -6.234 -7.760 2.396 1.00 0.36 H new ATOM 0 HB THR A 77 -7.911 -6.570 1.273 1.00 0.38 H new ATOM 0 HG1 THR A 77 -5.887 -5.742 -0.275 1.00 0.41 H new ATOM 0 HG21 THR A 77 -7.907 -4.295 2.259 1.00 0.37 H new ATOM 0 HG22 THR A 77 -7.350 -5.514 3.430 1.00 0.37 H new ATOM 0 HG23 THR A 77 -6.171 -4.456 2.618 1.00 0.37 H new ATOM 1398 N ALA A 78 -5.789 -9.058 0.312 1.00 0.38 N ATOM 1399 CA ALA A 78 -5.395 -9.853 -0.846 1.00 0.37 C ATOM 1400 C ALA A 78 -6.408 -9.763 -1.980 1.00 0.35 C ATOM 1401 O ALA A 78 -7.497 -10.329 -1.900 1.00 0.39 O ATOM 1402 CB ALA A 78 -5.177 -11.303 -0.442 1.00 0.43 C ATOM 0 H ALA A 78 -6.345 -9.557 1.006 1.00 0.38 H new ATOM 0 HA ALA A 78 -4.458 -9.440 -1.219 1.00 0.37 H new ATOM 0 HB1 ALA A 78 -4.884 -11.884 -1.316 1.00 0.43 H new ATOM 0 HB2 ALA A 78 -4.390 -11.357 0.310 1.00 0.43 H new ATOM 0 HB3 ALA A 78 -6.101 -11.709 -0.030 1.00 0.43 H new ATOM 1408 N PHE A 79 -6.038 -9.039 -3.036 1.00 0.29 N ATOM 1409 CA PHE A 79 -6.869 -8.882 -4.187 1.00 0.26 C ATOM 1410 C PHE A 79 -6.358 -9.732 -5.336 1.00 0.27 C ATOM 1411 O PHE A 79 -5.194 -9.627 -5.718 1.00 0.27 O ATOM 1412 CB PHE A 79 -6.873 -7.427 -4.612 1.00 0.23 C ATOM 1413 CG PHE A 79 -8.037 -7.106 -5.470 1.00 0.22 C ATOM 1414 CD1 PHE A 79 -9.289 -7.057 -4.920 1.00 0.27 C ATOM 1415 CD2 PHE A 79 -7.889 -6.879 -6.812 1.00 0.25 C ATOM 1416 CE1 PHE A 79 -10.378 -6.780 -5.689 1.00 0.31 C ATOM 1417 CE2 PHE A 79 -8.973 -6.599 -7.592 1.00 0.29 C ATOM 1418 CZ PHE A 79 -10.228 -6.545 -7.031 1.00 0.31 C ATOM 0 H PHE A 79 -5.145 -8.550 -3.099 1.00 0.29 H new ATOM 0 HA PHE A 79 -7.879 -9.202 -3.932 1.00 0.26 H new ATOM 0 HB2 PHE A 79 -6.887 -6.790 -3.727 1.00 0.23 H new ATOM 0 HB3 PHE A 79 -5.952 -7.203 -5.151 1.00 0.23 H new ATOM 0 HD1 PHE A 79 -9.415 -7.240 -3.863 1.00 0.27 H new ATOM 0 HD2 PHE A 79 -6.906 -6.922 -7.257 1.00 0.25 H new ATOM 0 HE1 PHE A 79 -11.360 -6.745 -5.241 1.00 0.31 H new ATOM 0 HE2 PHE A 79 -8.846 -6.420 -8.649 1.00 0.29 H new ATOM 0 HZ PHE A 79 -11.088 -6.319 -7.643 1.00 0.31 H new ATOM 1428 N LYS A 80 -7.237 -10.571 -5.874 1.00 0.30 N ATOM 1429 CA LYS A 80 -6.908 -11.441 -7.006 1.00 0.32 C ATOM 1430 C LYS A 80 -5.809 -12.454 -6.667 1.00 0.34 C ATOM 1431 O LYS A 80 -5.216 -13.055 -7.563 1.00 0.36 O ATOM 1432 CB LYS A 80 -6.501 -10.590 -8.210 1.00 0.31 C ATOM 1433 CG LYS A 80 -7.548 -9.570 -8.590 1.00 0.30 C ATOM 1434 CD LYS A 80 -8.833 -10.205 -9.080 1.00 0.33 C ATOM 1435 CE LYS A 80 -9.829 -9.138 -9.493 1.00 0.33 C ATOM 1436 NZ LYS A 80 -11.235 -9.631 -9.461 1.00 0.43 N ATOM 0 H LYS A 80 -8.196 -10.670 -5.541 1.00 0.30 H new ATOM 0 HA LYS A 80 -7.801 -12.017 -7.249 1.00 0.32 H new ATOM 0 HB2 LYS A 80 -5.566 -10.077 -7.986 1.00 0.31 H new ATOM 0 HB3 LYS A 80 -6.311 -11.243 -9.062 1.00 0.31 H new ATOM 0 HG2 LYS A 80 -7.765 -8.940 -7.728 1.00 0.30 H new ATOM 0 HG3 LYS A 80 -7.150 -8.919 -9.368 1.00 0.30 H new ATOM 0 HD2 LYS A 80 -8.622 -10.861 -9.925 1.00 0.33 H new ATOM 0 HD3 LYS A 80 -9.262 -10.826 -8.293 1.00 0.33 H new ATOM 0 HE2 LYS A 80 -9.733 -8.279 -8.829 1.00 0.33 H new ATOM 0 HE3 LYS A 80 -9.591 -8.792 -10.499 1.00 0.33 H new ATOM 0 HZ1 LYS A 80 -11.878 -8.866 -9.751 1.00 0.43 H new ATOM 0 HZ2 LYS A 80 -11.336 -10.434 -10.114 1.00 0.43 H new ATOM 0 HZ3 LYS A 80 -11.474 -9.937 -8.496 1.00 0.43 H new ATOM 1450 N GLY A 81 -5.546 -12.647 -5.375 1.00 0.35 N ATOM 1451 CA GLY A 81 -4.531 -13.598 -4.959 1.00 0.38 C ATOM 1452 C GLY A 81 -3.221 -12.934 -4.593 1.00 0.37 C ATOM 1453 O GLY A 81 -2.337 -13.571 -4.019 1.00 0.39 O ATOM 0 H GLY A 81 -6.018 -12.162 -4.612 1.00 0.35 H new ATOM 0 HA2 GLY A 81 -4.898 -14.163 -4.103 1.00 0.38 H new ATOM 0 HA3 GLY A 81 -4.358 -14.313 -5.763 1.00 0.38 H new ATOM 1457 N GLN A 82 -3.089 -11.653 -4.925 1.00 0.34 N ATOM 1458 CA GLN A 82 -1.883 -10.903 -4.595 1.00 0.33 C ATOM 1459 C GLN A 82 -2.148 -10.030 -3.382 1.00 0.30 C ATOM 1460 O GLN A 82 -3.255 -9.530 -3.207 1.00 0.29 O ATOM 1461 CB GLN A 82 -1.415 -10.008 -5.750 1.00 0.32 C ATOM 1462 CG GLN A 82 -2.310 -10.015 -6.982 1.00 0.31 C ATOM 1463 CD GLN A 82 -2.643 -8.613 -7.462 1.00 0.27 C ATOM 1464 OE1 GLN A 82 -2.732 -8.361 -8.662 1.00 0.28 O ATOM 1465 NE2 GLN A 82 -2.843 -7.692 -6.522 1.00 0.24 N ATOM 0 H GLN A 82 -3.800 -11.115 -5.420 1.00 0.34 H new ATOM 0 HA GLN A 82 -1.097 -11.630 -4.392 1.00 0.33 H new ATOM 0 HB2 GLN A 82 -1.335 -8.984 -5.385 1.00 0.32 H new ATOM 0 HB3 GLN A 82 -0.414 -10.320 -6.047 1.00 0.32 H new ATOM 0 HG2 GLN A 82 -1.816 -10.563 -7.784 1.00 0.31 H new ATOM 0 HG3 GLN A 82 -3.233 -10.547 -6.754 1.00 0.31 H new ATOM 0 HE21 GLN A 82 -2.759 -7.942 -5.537 1.00 0.24 H new ATOM 0 HE22 GLN A 82 -3.080 -6.736 -6.787 1.00 0.24 H new ATOM 1474 N VAL A 83 -1.140 -9.842 -2.546 1.00 0.31 N ATOM 1475 CA VAL A 83 -1.305 -9.011 -1.362 1.00 0.30 C ATOM 1476 C VAL A 83 -1.309 -7.533 -1.752 1.00 0.26 C ATOM 1477 O VAL A 83 -0.735 -7.155 -2.775 1.00 0.25 O ATOM 1478 CB VAL A 83 -0.194 -9.264 -0.320 1.00 0.33 C ATOM 1479 CG1 VAL A 83 -0.574 -8.677 1.029 1.00 0.32 C ATOM 1480 CG2 VAL A 83 0.106 -10.750 -0.195 1.00 0.38 C ATOM 0 H VAL A 83 -0.211 -10.247 -2.661 1.00 0.31 H new ATOM 0 HA VAL A 83 -2.260 -9.278 -0.909 1.00 0.30 H new ATOM 0 HB VAL A 83 0.711 -8.764 -0.666 1.00 0.33 H new ATOM 0 HG11 VAL A 83 0.224 -8.868 1.747 1.00 0.32 H new ATOM 0 HG12 VAL A 83 -0.723 -7.602 0.929 1.00 0.32 H new ATOM 0 HG13 VAL A 83 -1.496 -9.140 1.380 1.00 0.32 H new ATOM 0 HG21 VAL A 83 0.892 -10.902 0.545 1.00 0.38 H new ATOM 0 HG22 VAL A 83 -0.795 -11.278 0.119 1.00 0.38 H new ATOM 0 HG23 VAL A 83 0.436 -11.137 -1.159 1.00 0.38 H new ATOM 1490 N GLN A 84 -1.946 -6.700 -0.938 1.00 0.24 N ATOM 1491 CA GLN A 84 -2.026 -5.278 -1.224 1.00 0.21 C ATOM 1492 C GLN A 84 -1.941 -4.488 0.071 1.00 0.21 C ATOM 1493 O GLN A 84 -2.222 -5.015 1.143 1.00 0.25 O ATOM 1494 CB GLN A 84 -3.330 -4.964 -1.966 1.00 0.20 C ATOM 1495 CG GLN A 84 -3.250 -3.745 -2.870 1.00 0.26 C ATOM 1496 CD GLN A 84 -4.519 -3.534 -3.673 1.00 0.30 C ATOM 1497 OE1 GLN A 84 -4.649 -4.032 -4.791 1.00 0.33 O ATOM 1498 NE2 GLN A 84 -5.466 -2.798 -3.103 1.00 0.37 N ATOM 0 H GLN A 84 -2.413 -6.986 -0.077 1.00 0.24 H new ATOM 0 HA GLN A 84 -1.190 -4.991 -1.862 1.00 0.21 H new ATOM 0 HB2 GLN A 84 -3.612 -5.830 -2.565 1.00 0.20 H new ATOM 0 HB3 GLN A 84 -4.124 -4.810 -1.235 1.00 0.20 H new ATOM 0 HG2 GLN A 84 -3.055 -2.860 -2.265 1.00 0.26 H new ATOM 0 HG3 GLN A 84 -2.407 -3.857 -3.552 1.00 0.26 H new ATOM 0 HE21 GLN A 84 -5.316 -2.404 -2.174 1.00 0.37 H new ATOM 0 HE22 GLN A 84 -6.343 -2.626 -3.594 1.00 0.37 H new ATOM 1507 N LEU A 85 -1.550 -3.231 -0.031 1.00 0.19 N ATOM 1508 CA LEU A 85 -1.405 -2.379 1.137 1.00 0.20 C ATOM 1509 C LEU A 85 -2.239 -1.117 0.994 1.00 0.19 C ATOM 1510 O LEU A 85 -2.473 -0.647 -0.116 1.00 0.17 O ATOM 1511 CB LEU A 85 0.061 -2.022 1.300 1.00 0.19 C ATOM 1512 CG LEU A 85 0.602 -2.060 2.727 1.00 0.22 C ATOM 1513 CD1 LEU A 85 1.743 -3.060 2.835 1.00 0.25 C ATOM 1514 CD2 LEU A 85 1.064 -0.677 3.142 1.00 0.22 C ATOM 0 H LEU A 85 -1.326 -2.775 -0.915 1.00 0.19 H new ATOM 0 HA LEU A 85 -1.759 -2.914 2.019 1.00 0.20 H new ATOM 0 HB2 LEU A 85 0.651 -2.706 0.690 1.00 0.19 H new ATOM 0 HB3 LEU A 85 0.218 -1.021 0.899 1.00 0.19 H new ATOM 0 HG LEU A 85 -0.195 -2.378 3.399 1.00 0.22 H new ATOM 0 HD11 LEU A 85 2.118 -3.075 3.858 1.00 0.25 H new ATOM 0 HD12 LEU A 85 1.383 -4.053 2.565 1.00 0.25 H new ATOM 0 HD13 LEU A 85 2.547 -2.769 2.159 1.00 0.25 H new ATOM 0 HD21 LEU A 85 1.449 -0.712 4.161 1.00 0.22 H new ATOM 0 HD22 LEU A 85 1.852 -0.339 2.469 1.00 0.22 H new ATOM 0 HD23 LEU A 85 0.224 0.016 3.095 1.00 0.22 H new ATOM 1526 N ASN A 86 -2.699 -0.579 2.117 1.00 0.21 N ATOM 1527 CA ASN A 86 -3.523 0.628 2.107 1.00 0.22 C ATOM 1528 C ASN A 86 -3.081 1.582 3.171 1.00 0.24 C ATOM 1529 O ASN A 86 -2.186 1.276 3.948 1.00 0.25 O ATOM 1530 CB ASN A 86 -4.979 0.269 2.377 1.00 0.25 C ATOM 1531 CG ASN A 86 -5.466 -0.788 1.441 1.00 0.25 C ATOM 1532 OD1 ASN A 86 -6.112 -0.494 0.445 1.00 0.29 O ATOM 1533 ND2 ASN A 86 -5.130 -2.020 1.759 1.00 0.26 N ATOM 0 H ASN A 86 -2.517 -0.957 3.046 1.00 0.21 H new ATOM 0 HA ASN A 86 -3.418 1.092 1.126 1.00 0.22 H new ATOM 0 HB2 ASN A 86 -5.085 -0.078 3.405 1.00 0.25 H new ATOM 0 HB3 ASN A 86 -5.599 1.160 2.276 1.00 0.25 H new ATOM 0 HD21 ASN A 86 -5.410 -2.796 1.159 1.00 0.26 H new ATOM 0 HD22 ASN A 86 -4.589 -2.199 2.605 1.00 0.26 H new ATOM 1540 N ALA A 87 -3.659 2.768 3.166 1.00 0.26 N ATOM 1541 CA ALA A 87 -3.368 3.709 4.213 1.00 0.28 C ATOM 1542 C ALA A 87 -4.629 4.457 4.620 1.00 0.32 C ATOM 1543 O ALA A 87 -5.232 5.169 3.820 1.00 0.33 O ATOM 1544 CB ALA A 87 -2.281 4.679 3.790 1.00 0.27 C ATOM 0 H ALA A 87 -4.320 3.092 2.460 1.00 0.26 H new ATOM 0 HA ALA A 87 -3.001 3.153 5.076 1.00 0.28 H new ATOM 0 HB1 ALA A 87 -2.082 5.379 4.602 1.00 0.27 H new ATOM 0 HB2 ALA A 87 -1.371 4.126 3.556 1.00 0.27 H new ATOM 0 HB3 ALA A 87 -2.608 5.230 2.908 1.00 0.27 H new ATOM 1550 N GLY A 88 -5.014 4.291 5.875 1.00 0.36 N ATOM 1551 CA GLY A 88 -6.184 4.958 6.384 1.00 0.40 C ATOM 1552 C GLY A 88 -5.908 5.848 7.577 1.00 0.44 C ATOM 1553 O GLY A 88 -5.028 6.704 7.537 1.00 0.43 O ATOM 0 H GLY A 88 -4.530 3.701 6.552 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -6.624 5.559 5.588 1.00 0.40 H new ATOM 0 HA3 GLY A 88 -6.925 4.209 6.664 1.00 0.40 H new ATOM 1557 N SER A 89 -6.667 5.627 8.651 1.00 0.48 N ATOM 1558 CA SER A 89 -6.551 6.441 9.856 1.00 0.52 C ATOM 1559 C SER A 89 -5.383 6.066 10.785 1.00 0.52 C ATOM 1560 O SER A 89 -4.567 6.934 11.103 1.00 0.52 O ATOM 1561 CB SER A 89 -7.860 6.412 10.645 1.00 0.56 C ATOM 1562 OG SER A 89 -8.922 6.979 9.897 1.00 0.56 O ATOM 0 H SER A 89 -7.369 4.889 8.708 1.00 0.48 H new ATOM 0 HA SER A 89 -6.334 7.447 9.496 1.00 0.52 H new ATOM 0 HB2 SER A 89 -8.106 5.383 10.909 1.00 0.56 H new ATOM 0 HB3 SER A 89 -7.737 6.960 11.579 1.00 0.56 H new ATOM 0 HG SER A 89 -9.747 6.946 10.424 1.00 0.56 H new ATOM 1568 N LYS A 90 -5.289 4.796 11.242 1.00 0.51 N ATOM 1569 CA LYS A 90 -4.189 4.415 12.155 1.00 0.51 C ATOM 1570 C LYS A 90 -2.856 4.420 11.418 1.00 0.47 C ATOM 1571 O LYS A 90 -1.813 4.102 11.986 1.00 0.47 O ATOM 1572 CB LYS A 90 -4.403 3.047 12.855 1.00 0.53 C ATOM 1573 CG LYS A 90 -4.158 1.827 11.993 1.00 0.56 C ATOM 1574 CD LYS A 90 -5.424 1.020 11.789 1.00 0.71 C ATOM 1575 CE LYS A 90 -5.134 -0.464 11.873 1.00 0.94 C ATOM 1576 NZ LYS A 90 -6.029 -1.143 12.849 1.00 1.25 N ATOM 0 H LYS A 90 -5.935 4.044 11.005 1.00 0.51 H new ATOM 0 HA LYS A 90 -4.181 5.168 12.943 1.00 0.51 H new ATOM 0 HB2 LYS A 90 -3.744 2.996 13.722 1.00 0.53 H new ATOM 0 HB3 LYS A 90 -5.426 3.006 13.229 1.00 0.53 H new ATOM 0 HG2 LYS A 90 -3.765 2.139 11.025 1.00 0.56 H new ATOM 0 HG3 LYS A 90 -3.398 1.200 12.458 1.00 0.56 H new ATOM 0 HD2 LYS A 90 -6.161 1.294 12.543 1.00 0.71 H new ATOM 0 HD3 LYS A 90 -5.859 1.256 10.818 1.00 0.71 H new ATOM 0 HE2 LYS A 90 -5.259 -0.916 10.889 1.00 0.94 H new ATOM 0 HE3 LYS A 90 -4.095 -0.616 12.164 1.00 0.94 H new ATOM 0 HZ1 LYS A 90 -5.802 -2.157 12.880 1.00 1.25 H new ATOM 0 HZ2 LYS A 90 -5.892 -0.728 13.793 1.00 1.25 H new ATOM 0 HZ3 LYS A 90 -7.019 -1.019 12.557 1.00 1.25 H new ATOM 1590 N THR A 91 -2.910 4.794 10.152 1.00 0.45 N ATOM 1591 CA THR A 91 -1.740 4.869 9.311 1.00 0.40 C ATOM 1592 C THR A 91 -1.319 6.325 9.139 1.00 0.42 C ATOM 1593 O THR A 91 -2.116 7.158 8.701 1.00 0.45 O ATOM 1594 CB THR A 91 -2.049 4.302 7.916 1.00 0.36 C ATOM 1595 OG1 THR A 91 -2.941 3.191 8.025 1.00 0.36 O ATOM 1596 CG2 THR A 91 -0.775 3.881 7.203 1.00 0.32 C ATOM 0 H THR A 91 -3.776 5.055 9.680 1.00 0.45 H new ATOM 0 HA THR A 91 -0.945 4.292 9.784 1.00 0.40 H new ATOM 0 HB THR A 91 -2.524 5.087 7.327 1.00 0.36 H new ATOM 0 HG1 THR A 91 -2.733 2.683 8.836 1.00 0.36 H new ATOM 0 HG21 THR A 91 -1.023 3.484 6.219 1.00 0.32 H new ATOM 0 HG22 THR A 91 -0.119 4.744 7.091 1.00 0.32 H new ATOM 0 HG23 THR A 91 -0.268 3.113 7.787 1.00 0.32 H new ATOM 1604 N LYS A 92 -0.082 6.636 9.485 1.00 0.41 N ATOM 1605 CA LYS A 92 0.427 7.993 9.341 1.00 0.42 C ATOM 1606 C LYS A 92 1.584 8.002 8.355 1.00 0.39 C ATOM 1607 O LYS A 92 2.653 7.460 8.642 1.00 0.37 O ATOM 1608 CB LYS A 92 0.885 8.547 10.693 1.00 0.46 C ATOM 1609 CG LYS A 92 0.004 9.665 11.228 1.00 0.51 C ATOM 1610 CD LYS A 92 -1.380 9.165 11.611 1.00 0.55 C ATOM 1611 CE LYS A 92 -2.246 10.296 12.137 1.00 0.60 C ATOM 1612 NZ LYS A 92 -3.591 9.820 12.556 1.00 0.67 N ATOM 0 H LYS A 92 0.589 5.970 9.867 1.00 0.41 H new ATOM 0 HA LYS A 92 -0.374 8.629 8.965 1.00 0.42 H new ATOM 0 HB2 LYS A 92 0.907 7.735 11.420 1.00 0.46 H new ATOM 0 HB3 LYS A 92 1.906 8.916 10.597 1.00 0.46 H new ATOM 0 HG2 LYS A 92 0.480 10.117 12.098 1.00 0.51 H new ATOM 0 HG3 LYS A 92 -0.089 10.446 10.474 1.00 0.51 H new ATOM 0 HD2 LYS A 92 -1.858 8.710 10.743 1.00 0.55 H new ATOM 0 HD3 LYS A 92 -1.292 8.388 12.370 1.00 0.55 H new ATOM 0 HE2 LYS A 92 -1.749 10.769 12.984 1.00 0.60 H new ATOM 0 HE3 LYS A 92 -2.355 11.058 11.365 1.00 0.60 H new ATOM 0 HZ1 LYS A 92 -4.306 10.529 12.297 1.00 0.67 H new ATOM 0 HZ2 LYS A 92 -3.805 8.921 12.079 1.00 0.67 H new ATOM 0 HZ3 LYS A 92 -3.603 9.676 13.586 1.00 0.67 H new ATOM 1626 N ILE A 93 1.375 8.600 7.185 1.00 0.37 N ATOM 1627 CA ILE A 93 2.432 8.635 6.180 1.00 0.35 C ATOM 1628 C ILE A 93 3.226 9.933 6.268 1.00 0.37 C ATOM 1629 O ILE A 93 2.665 10.998 6.526 1.00 0.40 O ATOM 1630 CB ILE A 93 1.871 8.493 4.752 1.00 0.32 C ATOM 1631 CG1 ILE A 93 0.720 7.484 4.724 1.00 0.31 C ATOM 1632 CG2 ILE A 93 2.978 8.074 3.795 1.00 0.29 C ATOM 1633 CD1 ILE A 93 0.031 7.389 3.379 1.00 0.29 C ATOM 0 H ILE A 93 0.504 9.057 6.914 1.00 0.37 H new ATOM 0 HA ILE A 93 3.086 7.788 6.388 1.00 0.35 H new ATOM 0 HB ILE A 93 1.482 9.459 4.431 1.00 0.32 H new ATOM 0 HG12 ILE A 93 1.103 6.501 4.997 1.00 0.31 H new ATOM 0 HG13 ILE A 93 -0.014 7.762 5.480 1.00 0.31 H new ATOM 0 HG21 ILE A 93 2.571 7.976 2.788 1.00 0.29 H new ATOM 0 HG22 ILE A 93 3.765 8.828 3.797 1.00 0.29 H new ATOM 0 HG23 ILE A 93 3.392 7.117 4.114 1.00 0.29 H new ATOM 0 HD11 ILE A 93 -0.773 6.655 3.433 1.00 0.29 H new ATOM 0 HD12 ILE A 93 -0.382 8.362 3.112 1.00 0.29 H new ATOM 0 HD13 ILE A 93 0.752 7.081 2.622 1.00 0.29 H new ATOM 1645 N ALA A 94 4.536 9.838 6.055 1.00 0.36 N ATOM 1646 CA ALA A 94 5.399 11.010 6.109 1.00 0.38 C ATOM 1647 C ALA A 94 6.757 10.729 5.474 1.00 0.36 C ATOM 1648 O ALA A 94 7.225 9.591 5.460 1.00 0.34 O ATOM 1649 CB ALA A 94 5.575 11.474 7.549 1.00 0.41 C ATOM 0 H ALA A 94 5.019 8.965 5.844 1.00 0.36 H new ATOM 0 HA ALA A 94 4.919 11.805 5.538 1.00 0.38 H new ATOM 0 HB1 ALA A 94 6.222 12.351 7.572 1.00 0.41 H new ATOM 0 HB2 ALA A 94 4.603 11.730 7.970 1.00 0.41 H new ATOM 0 HB3 ALA A 94 6.026 10.674 8.136 1.00 0.41 H new ATOM 1655 N GLU A 95 7.383 11.779 4.950 1.00 0.38 N ATOM 1656 CA GLU A 95 8.689 11.655 4.311 1.00 0.37 C ATOM 1657 C GLU A 95 9.759 11.280 5.332 1.00 0.37 C ATOM 1658 O GLU A 95 9.824 11.857 6.417 1.00 0.40 O ATOM 1659 CB GLU A 95 9.066 12.963 3.615 1.00 0.39 C ATOM 1660 CG GLU A 95 7.954 13.536 2.752 1.00 0.40 C ATOM 1661 CD GLU A 95 7.308 14.759 3.371 1.00 0.44 C ATOM 1662 OE1 GLU A 95 7.948 15.832 3.376 1.00 0.46 O ATOM 1663 OE2 GLU A 95 6.160 14.646 3.852 1.00 0.44 O ATOM 0 H GLU A 95 7.006 12.727 4.956 1.00 0.38 H new ATOM 0 HA GLU A 95 8.629 10.861 3.566 1.00 0.37 H new ATOM 0 HB2 GLU A 95 9.345 13.699 4.369 1.00 0.39 H new ATOM 0 HB3 GLU A 95 9.946 12.794 2.994 1.00 0.39 H new ATOM 0 HG2 GLU A 95 8.357 13.798 1.774 1.00 0.40 H new ATOM 0 HG3 GLU A 95 7.194 12.771 2.589 1.00 0.40 H new ATOM 1670 N ALA A 96 10.593 10.310 4.975 1.00 0.36 N ATOM 1671 CA ALA A 96 11.661 9.856 5.859 1.00 0.36 C ATOM 1672 C ALA A 96 13.021 9.962 5.178 1.00 0.37 C ATOM 1673 O ALA A 96 13.163 9.640 3.998 1.00 0.36 O ATOM 1674 CB ALA A 96 11.403 8.423 6.300 1.00 0.34 C ATOM 0 H ALA A 96 10.551 9.823 4.080 1.00 0.36 H new ATOM 0 HA ALA A 96 11.672 10.502 6.737 1.00 0.36 H new ATOM 0 HB1 ALA A 96 12.207 8.095 6.959 1.00 0.34 H new ATOM 0 HB2 ALA A 96 10.453 8.372 6.832 1.00 0.34 H new ATOM 0 HB3 ALA A 96 11.364 7.774 5.425 1.00 0.34 H new ATOM 1680 N SER A 97 14.020 10.421 5.926 1.00 0.39 N ATOM 1681 CA SER A 97 15.371 10.569 5.392 1.00 0.40 C ATOM 1682 C SER A 97 16.314 9.539 6.006 1.00 0.41 C ATOM 1683 O SER A 97 16.437 9.446 7.227 1.00 0.41 O ATOM 1684 CB SER A 97 15.896 11.980 5.658 1.00 0.43 C ATOM 1685 OG SER A 97 15.729 12.339 7.019 1.00 0.44 O ATOM 0 H SER A 97 13.920 10.697 6.903 1.00 0.39 H new ATOM 0 HA SER A 97 15.329 10.402 4.316 1.00 0.40 H new ATOM 0 HB2 SER A 97 16.951 12.035 5.391 1.00 0.43 H new ATOM 0 HB3 SER A 97 15.369 12.693 5.023 1.00 0.43 H new ATOM 0 HG SER A 97 15.890 11.556 7.586 1.00 0.44 H new ATOM 1691 N GLU A 98 16.978 8.768 5.150 1.00 0.41 N ATOM 1692 CA GLU A 98 17.912 7.745 5.609 1.00 0.41 C ATOM 1693 C GLU A 98 19.258 7.886 4.903 1.00 0.44 C ATOM 1694 O GLU A 98 19.627 8.976 4.464 1.00 0.45 O ATOM 1695 CB GLU A 98 17.329 6.350 5.366 1.00 0.40 C ATOM 1696 CG GLU A 98 16.090 6.057 6.195 1.00 0.38 C ATOM 1697 CD GLU A 98 16.402 5.249 7.439 1.00 0.39 C ATOM 1698 OE1 GLU A 98 17.185 4.280 7.339 1.00 0.40 O ATOM 1699 OE2 GLU A 98 15.862 5.585 8.516 1.00 0.39 O ATOM 0 H GLU A 98 16.887 8.832 4.136 1.00 0.41 H new ATOM 0 HA GLU A 98 18.071 7.879 6.679 1.00 0.41 H new ATOM 0 HB2 GLU A 98 17.082 6.247 4.309 1.00 0.40 H new ATOM 0 HB3 GLU A 98 18.091 5.603 5.589 1.00 0.40 H new ATOM 0 HG2 GLU A 98 15.620 6.997 6.484 1.00 0.38 H new ATOM 0 HG3 GLU A 98 15.368 5.514 5.585 1.00 0.38 H new ATOM 1706 N ASP A 99 19.990 6.781 4.800 1.00 0.45 N ATOM 1707 CA ASP A 99 21.296 6.786 4.148 1.00 0.47 C ATOM 1708 C ASP A 99 21.149 6.703 2.631 1.00 0.48 C ATOM 1709 O ASP A 99 22.109 6.397 1.924 1.00 0.50 O ATOM 1710 CB ASP A 99 22.145 5.618 4.653 1.00 0.49 C ATOM 1711 CG ASP A 99 22.779 5.906 5.999 1.00 0.50 C ATOM 1712 OD1 ASP A 99 22.030 6.125 6.974 1.00 0.49 O ATOM 1713 OD2 ASP A 99 24.026 5.916 6.079 1.00 0.52 O ATOM 0 H ASP A 99 19.702 5.871 5.159 1.00 0.45 H new ATOM 0 HA ASP A 99 21.794 7.724 4.396 1.00 0.47 H new ATOM 0 HB2 ASP A 99 21.523 4.727 4.731 1.00 0.49 H new ATOM 0 HB3 ASP A 99 22.926 5.399 3.925 1.00 0.49 H new ATOM 1718 N GLY A 100 19.945 6.977 2.139 1.00 0.45 N ATOM 1719 CA GLY A 100 19.698 6.931 0.710 1.00 0.46 C ATOM 1720 C GLY A 100 18.958 5.677 0.287 1.00 0.44 C ATOM 1721 O GLY A 100 19.575 4.702 -0.143 1.00 0.46 O ATOM 0 H GLY A 100 19.135 7.230 2.705 1.00 0.45 H new ATOM 0 HA2 GLY A 100 19.119 7.807 0.417 1.00 0.46 H new ATOM 0 HA3 GLY A 100 20.648 6.985 0.179 1.00 0.46 H new ATOM 1725 N PHE A 101 17.634 5.702 0.411 1.00 0.41 N ATOM 1726 CA PHE A 101 16.808 4.559 0.037 1.00 0.40 C ATOM 1727 C PHE A 101 16.974 4.237 -1.449 1.00 0.42 C ATOM 1728 O PHE A 101 17.168 5.139 -2.264 1.00 0.43 O ATOM 1729 CB PHE A 101 15.337 4.846 0.350 1.00 0.36 C ATOM 1730 CG PHE A 101 14.674 3.772 1.165 1.00 0.35 C ATOM 1731 CD1 PHE A 101 15.042 3.554 2.484 1.00 0.35 C ATOM 1732 CD2 PHE A 101 13.681 2.981 0.611 1.00 0.33 C ATOM 1733 CE1 PHE A 101 14.434 2.566 3.233 1.00 0.34 C ATOM 1734 CE2 PHE A 101 13.070 1.990 1.357 1.00 0.32 C ATOM 1735 CZ PHE A 101 13.449 1.781 2.667 1.00 0.33 C ATOM 0 H PHE A 101 17.110 6.501 0.768 1.00 0.41 H new ATOM 0 HA PHE A 101 17.133 3.695 0.617 1.00 0.40 H new ATOM 0 HB2 PHE A 101 15.266 5.793 0.886 1.00 0.36 H new ATOM 0 HB3 PHE A 101 14.792 4.968 -0.586 1.00 0.36 H new ATOM 0 HD1 PHE A 101 15.813 4.164 2.931 1.00 0.35 H new ATOM 0 HD2 PHE A 101 13.381 3.140 -0.414 1.00 0.33 H new ATOM 0 HE1 PHE A 101 14.728 2.407 4.260 1.00 0.34 H new ATOM 0 HE2 PHE A 101 12.296 1.380 0.914 1.00 0.32 H new ATOM 0 HZ PHE A 101 12.976 1.004 3.249 1.00 0.33 H new ATOM 1745 N PRO A 102 16.902 2.943 -1.820 1.00 0.42 N ATOM 1746 CA PRO A 102 17.047 2.513 -3.218 1.00 0.44 C ATOM 1747 C PRO A 102 16.134 3.286 -4.164 1.00 0.43 C ATOM 1748 O PRO A 102 15.009 3.638 -3.808 1.00 0.40 O ATOM 1749 CB PRO A 102 16.647 1.037 -3.179 1.00 0.44 C ATOM 1750 CG PRO A 102 16.948 0.603 -1.787 1.00 0.44 C ATOM 1751 CD PRO A 102 16.679 1.798 -0.915 1.00 0.41 C ATOM 0 HA PRO A 102 18.056 2.687 -3.593 1.00 0.44 H new ATOM 0 HB2 PRO A 102 15.591 0.906 -3.415 1.00 0.44 H new ATOM 0 HB3 PRO A 102 17.211 0.454 -3.907 1.00 0.44 H new ATOM 0 HG2 PRO A 102 16.322 -0.241 -1.497 1.00 0.44 H new ATOM 0 HG3 PRO A 102 17.984 0.278 -1.695 1.00 0.44 H new ATOM 0 HD2 PRO A 102 15.662 1.788 -0.523 1.00 0.41 H new ATOM 0 HD3 PRO A 102 17.351 1.828 -0.057 1.00 0.41 H new ATOM 1759 N GLU A 103 16.629 3.548 -5.371 1.00 0.46 N ATOM 1760 CA GLU A 103 15.860 4.278 -6.372 1.00 0.46 C ATOM 1761 C GLU A 103 14.761 3.400 -6.962 1.00 0.45 C ATOM 1762 O GLU A 103 14.813 2.175 -6.867 1.00 0.45 O ATOM 1763 CB GLU A 103 16.781 4.779 -7.488 1.00 0.50 C ATOM 1764 CG GLU A 103 16.313 6.076 -8.128 1.00 0.50 C ATOM 1765 CD GLU A 103 17.374 6.706 -9.008 1.00 0.54 C ATOM 1766 OE1 GLU A 103 18.405 7.159 -8.467 1.00 0.55 O ATOM 1767 OE2 GLU A 103 17.177 6.745 -10.242 1.00 0.56 O ATOM 0 H GLU A 103 17.559 3.265 -5.678 1.00 0.46 H new ATOM 0 HA GLU A 103 15.394 5.133 -5.882 1.00 0.46 H new ATOM 0 HB2 GLU A 103 17.783 4.924 -7.083 1.00 0.50 H new ATOM 0 HB3 GLU A 103 16.857 4.011 -8.257 1.00 0.50 H new ATOM 0 HG2 GLU A 103 15.420 5.882 -8.723 1.00 0.50 H new ATOM 0 HG3 GLU A 103 16.028 6.781 -7.347 1.00 0.50 H new ATOM 1774 N SER A 104 13.766 4.040 -7.571 1.00 0.43 N ATOM 1775 CA SER A 104 12.651 3.320 -8.179 1.00 0.42 C ATOM 1776 C SER A 104 13.124 2.461 -9.347 1.00 0.46 C ATOM 1777 O SER A 104 12.509 1.443 -9.669 1.00 0.45 O ATOM 1778 CB SER A 104 11.583 4.307 -8.657 1.00 0.41 C ATOM 1779 OG SER A 104 11.389 5.347 -7.714 1.00 0.39 O ATOM 0 H SER A 104 13.709 5.055 -7.656 1.00 0.43 H new ATOM 0 HA SER A 104 12.221 2.663 -7.423 1.00 0.42 H new ATOM 0 HB2 SER A 104 11.880 4.732 -9.616 1.00 0.41 H new ATOM 0 HB3 SER A 104 10.643 3.780 -8.820 1.00 0.41 H new ATOM 0 HG SER A 104 10.451 5.361 -7.430 1.00 0.39 H new ATOM 1785 N SER A 105 14.218 2.876 -9.977 1.00 0.49 N ATOM 1786 CA SER A 105 14.772 2.144 -11.111 1.00 0.53 C ATOM 1787 C SER A 105 15.630 0.974 -10.640 1.00 0.55 C ATOM 1788 O SER A 105 16.105 0.175 -11.448 1.00 0.58 O ATOM 1789 CB SER A 105 15.601 3.078 -11.992 1.00 0.56 C ATOM 1790 OG SER A 105 15.074 3.141 -13.308 1.00 0.58 O ATOM 0 H SER A 105 14.739 3.715 -9.722 1.00 0.49 H new ATOM 0 HA SER A 105 13.941 1.748 -11.695 1.00 0.53 H new ATOM 0 HB2 SER A 105 15.616 4.076 -11.555 1.00 0.56 H new ATOM 0 HB3 SER A 105 16.633 2.729 -12.027 1.00 0.56 H new ATOM 0 HG SER A 105 15.621 3.746 -13.851 1.00 0.58 H new ATOM 1796 N GLN A 106 15.827 0.884 -9.330 1.00 0.52 N ATOM 1797 CA GLN A 106 16.628 -0.189 -8.749 1.00 0.54 C ATOM 1798 C GLN A 106 15.824 -0.961 -7.709 1.00 0.51 C ATOM 1799 O GLN A 106 16.372 -1.779 -6.970 1.00 0.52 O ATOM 1800 CB GLN A 106 17.897 0.382 -8.110 1.00 0.55 C ATOM 1801 CG GLN A 106 18.646 1.356 -9.005 1.00 0.58 C ATOM 1802 CD GLN A 106 20.073 1.592 -8.548 1.00 0.60 C ATOM 1803 OE1 GLN A 106 20.517 2.732 -8.425 1.00 0.60 O ATOM 1804 NE2 GLN A 106 20.799 0.507 -8.295 1.00 0.62 N ATOM 0 H GLN A 106 15.444 1.540 -8.650 1.00 0.52 H new ATOM 0 HA GLN A 106 16.910 -0.874 -9.548 1.00 0.54 H new ATOM 0 HB2 GLN A 106 17.630 0.887 -7.182 1.00 0.55 H new ATOM 0 HB3 GLN A 106 18.562 -0.440 -7.846 1.00 0.55 H new ATOM 0 HG2 GLN A 106 18.654 0.973 -10.025 1.00 0.58 H new ATOM 0 HG3 GLN A 106 18.114 2.307 -9.026 1.00 0.58 H new ATOM 0 HE21 GLN A 106 20.389 -0.420 -8.411 1.00 0.62 H new ATOM 0 HE22 GLN A 106 21.766 0.601 -7.985 1.00 0.62 H new ATOM 1813 N ILE A 107 14.524 -0.695 -7.660 1.00 0.48 N ATOM 1814 CA ILE A 107 13.641 -1.362 -6.711 1.00 0.45 C ATOM 1815 C ILE A 107 12.965 -2.579 -7.350 1.00 0.46 C ATOM 1816 O ILE A 107 12.278 -2.449 -8.364 1.00 0.46 O ATOM 1817 CB ILE A 107 12.561 -0.388 -6.176 1.00 0.40 C ATOM 1818 CG1 ILE A 107 13.112 0.409 -4.993 1.00 0.39 C ATOM 1819 CG2 ILE A 107 11.296 -1.135 -5.769 1.00 0.38 C ATOM 1820 CD1 ILE A 107 12.365 1.700 -4.736 1.00 0.36 C ATOM 0 H ILE A 107 14.058 -0.021 -8.267 1.00 0.48 H new ATOM 0 HA ILE A 107 14.256 -1.699 -5.876 1.00 0.45 H new ATOM 0 HB ILE A 107 12.299 0.301 -6.978 1.00 0.40 H new ATOM 0 HG12 ILE A 107 13.071 -0.210 -4.097 1.00 0.39 H new ATOM 0 HG13 ILE A 107 14.162 0.636 -5.175 1.00 0.39 H new ATOM 0 HG21 ILE A 107 10.557 -0.424 -5.398 1.00 0.38 H new ATOM 0 HG22 ILE A 107 10.891 -1.662 -6.633 1.00 0.38 H new ATOM 0 HG23 ILE A 107 11.534 -1.854 -4.985 1.00 0.38 H new ATOM 0 HD11 ILE A 107 12.809 2.214 -3.883 1.00 0.36 H new ATOM 0 HD12 ILE A 107 12.428 2.338 -5.617 1.00 0.36 H new ATOM 0 HD13 ILE A 107 11.319 1.479 -4.522 1.00 0.36 H new ATOM 1832 N PRO A 108 13.160 -3.783 -6.772 1.00 0.47 N ATOM 1833 CA PRO A 108 12.553 -5.015 -7.291 1.00 0.48 C ATOM 1834 C PRO A 108 11.043 -4.888 -7.462 1.00 0.45 C ATOM 1835 O PRO A 108 10.421 -3.972 -6.925 1.00 0.41 O ATOM 1836 CB PRO A 108 12.886 -6.057 -6.222 1.00 0.49 C ATOM 1837 CG PRO A 108 14.115 -5.541 -5.562 1.00 0.50 C ATOM 1838 CD PRO A 108 13.990 -4.043 -5.579 1.00 0.47 C ATOM 0 HA PRO A 108 12.931 -5.269 -8.281 1.00 0.48 H new ATOM 0 HB2 PRO A 108 12.070 -6.167 -5.508 1.00 0.49 H new ATOM 0 HB3 PRO A 108 13.057 -7.038 -6.665 1.00 0.49 H new ATOM 0 HG2 PRO A 108 14.197 -5.915 -4.542 1.00 0.50 H new ATOM 0 HG3 PRO A 108 15.010 -5.865 -6.093 1.00 0.50 H new ATOM 0 HD2 PRO A 108 13.517 -3.669 -4.671 1.00 0.47 H new ATOM 0 HD3 PRO A 108 14.964 -3.559 -5.654 1.00 0.47 H new ATOM 1846 N GLU A 109 10.462 -5.816 -8.213 1.00 0.47 N ATOM 1847 CA GLU A 109 9.024 -5.807 -8.467 1.00 0.44 C ATOM 1848 C GLU A 109 8.368 -7.082 -7.945 1.00 0.44 C ATOM 1849 O GLU A 109 7.206 -7.358 -8.242 1.00 0.43 O ATOM 1850 CB GLU A 109 8.749 -5.654 -9.965 1.00 0.46 C ATOM 1851 CG GLU A 109 9.582 -6.580 -10.837 1.00 0.51 C ATOM 1852 CD GLU A 109 9.109 -6.606 -12.276 1.00 0.53 C ATOM 1853 OE1 GLU A 109 8.091 -7.275 -12.556 1.00 0.52 O ATOM 1854 OE2 GLU A 109 9.756 -5.959 -13.126 1.00 0.55 O ATOM 0 H GLU A 109 10.964 -6.585 -8.657 1.00 0.47 H new ATOM 0 HA GLU A 109 8.594 -4.957 -7.937 1.00 0.44 H new ATOM 0 HB2 GLU A 109 7.693 -5.845 -10.153 1.00 0.46 H new ATOM 0 HB3 GLU A 109 8.943 -4.622 -10.257 1.00 0.46 H new ATOM 0 HG2 GLU A 109 10.624 -6.262 -10.807 1.00 0.51 H new ATOM 0 HG3 GLU A 109 9.545 -7.590 -10.428 1.00 0.51 H new ATOM 1861 N ASN A 110 9.123 -7.858 -7.172 1.00 0.46 N ATOM 1862 CA ASN A 110 8.618 -9.105 -6.607 1.00 0.48 C ATOM 1863 C ASN A 110 7.330 -8.868 -5.823 1.00 0.44 C ATOM 1864 O ASN A 110 7.295 -8.062 -4.894 1.00 0.41 O ATOM 1865 CB ASN A 110 9.672 -9.742 -5.698 1.00 0.50 C ATOM 1866 CG ASN A 110 9.631 -11.256 -5.739 1.00 0.54 C ATOM 1867 OD1 ASN A 110 8.697 -11.879 -5.231 1.00 0.53 O ATOM 1868 ND2 ASN A 110 10.646 -11.861 -6.346 1.00 0.58 N ATOM 0 H ASN A 110 10.089 -7.644 -6.922 1.00 0.46 H new ATOM 0 HA ASN A 110 8.400 -9.784 -7.431 1.00 0.48 H new ATOM 0 HB2 ASN A 110 10.662 -9.400 -5.999 1.00 0.50 H new ATOM 0 HB3 ASN A 110 9.516 -9.405 -4.673 1.00 0.50 H new ATOM 0 HD21 ASN A 110 10.672 -12.879 -6.404 1.00 0.58 H new ATOM 0 HD22 ASN A 110 11.400 -11.308 -6.754 1.00 0.58 H new ATOM 1875 N THR A 111 6.273 -9.579 -6.208 1.00 0.44 N ATOM 1876 CA THR A 111 4.981 -9.451 -5.546 1.00 0.41 C ATOM 1877 C THR A 111 4.865 -10.428 -4.375 1.00 0.42 C ATOM 1878 O THR A 111 4.828 -11.642 -4.577 1.00 0.45 O ATOM 1879 CB THR A 111 3.823 -9.710 -6.528 1.00 0.40 C ATOM 1880 OG1 THR A 111 4.340 -10.098 -7.806 1.00 0.44 O ATOM 1881 CG2 THR A 111 2.955 -8.470 -6.681 1.00 0.36 C ATOM 0 H THR A 111 6.288 -10.250 -6.976 1.00 0.44 H new ATOM 0 HA THR A 111 4.914 -8.429 -5.173 1.00 0.41 H new ATOM 0 HB THR A 111 3.209 -10.516 -6.126 1.00 0.40 H new ATOM 0 HG1 THR A 111 3.597 -10.262 -8.423 1.00 0.44 H new ATOM 0 HG21 THR A 111 2.144 -8.677 -7.379 1.00 0.36 H new ATOM 0 HG22 THR A 111 2.538 -8.196 -5.712 1.00 0.36 H new ATOM 0 HG23 THR A 111 3.560 -7.647 -7.062 1.00 0.36 H new ATOM 1889 N PRO A 112 4.807 -9.915 -3.129 1.00 0.40 N ATOM 1890 CA PRO A 112 4.696 -10.760 -1.933 1.00 0.42 C ATOM 1891 C PRO A 112 3.471 -11.666 -1.975 1.00 0.43 C ATOM 1892 O PRO A 112 2.391 -11.252 -2.395 1.00 0.40 O ATOM 1893 CB PRO A 112 4.571 -9.750 -0.788 1.00 0.38 C ATOM 1894 CG PRO A 112 5.174 -8.496 -1.319 1.00 0.36 C ATOM 1895 CD PRO A 112 4.850 -8.480 -2.784 1.00 0.36 C ATOM 0 HA PRO A 112 5.547 -11.433 -1.834 1.00 0.42 H new ATOM 0 HB2 PRO A 112 3.529 -9.599 -0.506 1.00 0.38 H new ATOM 0 HB3 PRO A 112 5.096 -10.095 0.103 1.00 0.38 H new ATOM 0 HG2 PRO A 112 4.762 -7.620 -0.817 1.00 0.36 H new ATOM 0 HG3 PRO A 112 6.252 -8.480 -1.156 1.00 0.36 H new ATOM 0 HD2 PRO A 112 3.897 -7.988 -2.982 1.00 0.36 H new ATOM 0 HD3 PRO A 112 5.608 -7.949 -3.359 1.00 0.36 H new ATOM 1903 N THR A 113 3.649 -12.909 -1.533 1.00 0.46 N ATOM 1904 CA THR A 113 2.562 -13.881 -1.518 1.00 0.48 C ATOM 1905 C THR A 113 2.767 -14.916 -0.417 1.00 0.51 C ATOM 1906 O THR A 113 3.806 -15.573 -0.355 1.00 0.54 O ATOM 1907 CB THR A 113 2.437 -14.607 -2.871 1.00 0.50 C ATOM 1908 OG1 THR A 113 3.260 -13.965 -3.851 1.00 0.49 O ATOM 1909 CG2 THR A 113 0.993 -14.621 -3.347 1.00 0.49 C ATOM 0 H THR A 113 4.537 -13.266 -1.180 1.00 0.46 H new ATOM 0 HA THR A 113 1.644 -13.325 -1.327 1.00 0.48 H new ATOM 0 HB THR A 113 2.769 -15.636 -2.736 1.00 0.50 H new ATOM 0 HG1 THR A 113 3.175 -14.434 -4.707 1.00 0.49 H new ATOM 0 HG21 THR A 113 0.930 -15.139 -4.304 1.00 0.49 H new ATOM 0 HG22 THR A 113 0.373 -15.137 -2.614 1.00 0.49 H new ATOM 0 HG23 THR A 113 0.639 -13.597 -3.465 1.00 0.49 H new ATOM 1917 N ALA A 114 1.768 -15.055 0.452 1.00 0.51 N ATOM 1918 CA ALA A 114 1.838 -16.009 1.554 1.00 0.54 C ATOM 1919 C ALA A 114 1.882 -17.444 1.036 1.00 0.58 C ATOM 1920 O ALA A 114 1.575 -17.704 -0.127 1.00 0.58 O ATOM 1921 CB ALA A 114 0.655 -15.821 2.491 1.00 0.53 C ATOM 0 H ALA A 114 0.901 -14.519 0.413 1.00 0.51 H new ATOM 0 HA ALA A 114 2.759 -15.821 2.107 1.00 0.54 H new ATOM 0 HB1 ALA A 114 0.720 -16.539 3.308 1.00 0.53 H new ATOM 0 HB2 ALA A 114 0.669 -14.809 2.896 1.00 0.53 H new ATOM 0 HB3 ALA A 114 -0.273 -15.980 1.942 1.00 0.53 H new ATOM 1927 N ARG A 115 2.269 -18.370 1.909 1.00 0.61 N ATOM 1928 CA ARG A 115 2.355 -19.779 1.540 1.00 0.65 C ATOM 1929 C ARG A 115 1.010 -20.475 1.733 1.00 0.66 C ATOM 1930 O ARG A 115 0.304 -20.219 2.707 1.00 0.66 O ATOM 1931 CB ARG A 115 3.430 -20.484 2.371 1.00 0.69 C ATOM 1932 CG ARG A 115 3.295 -20.254 3.868 1.00 0.69 C ATOM 1933 CD ARG A 115 4.480 -20.826 4.628 1.00 0.72 C ATOM 1934 NE ARG A 115 5.752 -20.318 4.121 1.00 0.71 N ATOM 1935 CZ ARG A 115 6.788 -21.095 3.812 1.00 0.74 C ATOM 1936 NH1 ARG A 115 6.706 -22.409 3.968 1.00 0.78 N ATOM 1937 NH2 ARG A 115 7.906 -20.555 3.347 1.00 0.73 N ATOM 0 H ARG A 115 2.528 -18.170 2.875 1.00 0.61 H new ATOM 0 HA ARG A 115 2.627 -19.835 0.486 1.00 0.65 H new ATOM 0 HB2 ARG A 115 3.387 -21.555 2.172 1.00 0.69 H new ATOM 0 HB3 ARG A 115 4.412 -20.139 2.047 1.00 0.69 H new ATOM 0 HG2 ARG A 115 3.215 -19.185 4.067 1.00 0.69 H new ATOM 0 HG3 ARG A 115 2.375 -20.715 4.227 1.00 0.69 H new ATOM 0 HD2 ARG A 115 4.386 -20.578 5.685 1.00 0.72 H new ATOM 0 HD3 ARG A 115 4.468 -21.913 4.553 1.00 0.72 H new ATOM 0 HE ARG A 115 5.852 -19.311 3.997 1.00 0.71 H new ATOM 0 HH11 ARG A 115 5.847 -22.828 4.326 1.00 0.78 H new ATOM 0 HH12 ARG A 115 7.502 -23.001 3.730 1.00 0.78 H new ATOM 0 HH21 ARG A 115 7.972 -19.544 3.226 1.00 0.73 H new ATOM 0 HH22 ARG A 115 8.700 -21.150 3.110 1.00 0.73 H new ATOM 1951 N ARG A 116 0.668 -21.354 0.797 1.00 0.68 N ATOM 1952 CA ARG A 116 -0.590 -22.091 0.860 1.00 0.70 C ATOM 1953 C ARG A 116 -0.338 -23.576 1.086 1.00 0.74 C ATOM 1954 O ARG A 116 0.683 -24.115 0.657 1.00 0.77 O ATOM 1955 CB ARG A 116 -1.388 -21.885 -0.429 1.00 0.68 C ATOM 1956 CG ARG A 116 -2.061 -20.526 -0.520 1.00 0.64 C ATOM 1957 CD ARG A 116 -2.952 -20.428 -1.748 1.00 0.63 C ATOM 1958 NE ARG A 116 -2.380 -19.557 -2.771 1.00 0.60 N ATOM 1959 CZ ARG A 116 -2.362 -18.230 -2.689 1.00 0.56 C ATOM 1960 NH1 ARG A 116 -2.884 -17.621 -1.632 1.00 0.55 N ATOM 1961 NH2 ARG A 116 -1.823 -17.510 -3.663 1.00 0.55 N ATOM 0 H ARG A 116 1.245 -21.574 -0.015 1.00 0.68 H new ATOM 0 HA ARG A 116 -1.167 -21.708 1.702 1.00 0.70 H new ATOM 0 HB2 ARG A 116 -0.721 -22.008 -1.282 1.00 0.68 H new ATOM 0 HB3 ARG A 116 -2.148 -22.663 -0.504 1.00 0.68 H new ATOM 0 HG2 ARG A 116 -2.655 -20.352 0.377 1.00 0.64 H new ATOM 0 HG3 ARG A 116 -1.302 -19.744 -0.556 1.00 0.64 H new ATOM 0 HD2 ARG A 116 -3.106 -21.423 -2.164 1.00 0.63 H new ATOM 0 HD3 ARG A 116 -3.932 -20.049 -1.456 1.00 0.63 H new ATOM 0 HE ARG A 116 -1.970 -19.992 -3.597 1.00 0.60 H new ATOM 0 HH11 ARG A 116 -3.300 -18.171 -0.880 1.00 0.55 H new ATOM 0 HH12 ARG A 116 -2.869 -16.603 -1.571 1.00 0.55 H new ATOM 0 HH21 ARG A 116 -1.421 -17.974 -4.478 1.00 0.55 H new ATOM 0 HH22 ARG A 116 -1.810 -16.492 -3.598 1.00 0.55 H new ATOM 1975 N ARG A 117 -1.278 -24.235 1.761 1.00 0.76 N ATOM 1976 CA ARG A 117 -1.158 -25.661 2.044 1.00 0.80 C ATOM 1977 C ARG A 117 -1.539 -26.492 0.822 1.00 0.82 C ATOM 1978 O ARG A 117 -0.755 -27.415 0.486 1.00 0.85 O ATOM 1979 CB ARG A 117 -2.043 -26.042 3.231 1.00 0.82 C ATOM 1980 CG ARG A 117 -1.940 -25.082 4.404 1.00 0.80 C ATOM 1981 CD ARG A 117 -2.872 -25.481 5.535 1.00 0.81 C ATOM 1982 NE ARG A 117 -4.184 -24.851 5.406 1.00 0.79 N ATOM 1983 CZ ARG A 117 -5.196 -25.073 6.241 1.00 0.81 C ATOM 1984 NH1 ARG A 117 -5.049 -25.908 7.262 1.00 0.84 N ATOM 1985 NH2 ARG A 117 -6.357 -24.460 6.055 1.00 0.79 N ATOM 1986 OXT ARG A 117 -2.592 -26.223 0.157 1.00 0.81 O ATOM 0 H ARG A 117 -2.129 -23.804 2.121 1.00 0.76 H new ATOM 0 HA ARG A 117 -0.118 -25.871 2.293 1.00 0.80 H new ATOM 0 HB2 ARG A 117 -3.080 -26.086 2.900 1.00 0.82 H new ATOM 0 HB3 ARG A 117 -1.773 -27.043 3.568 1.00 0.82 H new ATOM 0 HG2 ARG A 117 -0.913 -25.060 4.768 1.00 0.80 H new ATOM 0 HG3 ARG A 117 -2.182 -24.073 4.071 1.00 0.80 H new ATOM 0 HD2 ARG A 117 -2.989 -26.565 5.544 1.00 0.81 H new ATOM 0 HD3 ARG A 117 -2.426 -25.200 6.489 1.00 0.81 H new ATOM 0 HE ARG A 117 -4.333 -24.204 4.632 1.00 0.79 H new ATOM 0 HH11 ARG A 117 -4.158 -26.382 7.409 1.00 0.84 H new ATOM 0 HH12 ARG A 117 -5.827 -26.076 7.900 1.00 0.84 H new ATOM 0 HH21 ARG A 117 -6.475 -23.818 5.271 1.00 0.79 H new ATOM 0 HH22 ARG A 117 -7.132 -24.631 6.696 1.00 0.79 H new