USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 533 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 42 SER OG : rot 67:sc= -0.567 USER MOD Set 1.2: A 44 THR OG1 : rot -83:sc= 1.19 USER MOD Set 2.1: A 16 ASN : amide:sc= -1.97! C(o=-1.2!,f=-8.9!) USER MOD Set 2.2: A 51 THR OG1 : rot 137:sc= 0.731 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -1.61! K(o=-1.6!,f=-0.55) USER MOD Single : A 24 SER OG : rot 93:sc= -0.88 USER MOD Single : A 27 HIS : no HD1:sc= -0.0119 X(o=-0.012,f=-0.088) USER MOD Single : A 31 SER OG : rot 115:sc= 0.445 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0379 USER MOD Single : A 34 GLN : amide:sc= -1.1 K(o=-1.1,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -144:sc= -1.8! (180deg=-3.44!) USER MOD Single : A 45 GLN : amide:sc= -0.423 X(o=-0.42,f=-0.61) USER MOD Single : A 47 LYS NZ :NH3+ -148:sc= -0.0236 (180deg=-3.96!) USER MOD Single : A 49 HIS : no HD1:sc= -0.315 X(o=-0.31,f=-0.31) USER MOD Single : A 50 SER OG : rot 180:sc= -0.059 USER MOD Single : A 57 LYS NZ :NH3+ 146:sc= -1.06! (180deg=-2.76!) USER MOD Single : A 70 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.61) USER MOD Single : A 71 ASN : amide:sc= -6.63! C(o=-6.6!,f=-13!) USER MOD Single : A 74 GLN : amide:sc= -1.6 K(o=-1.6,f=-0.92) USER MOD Single : A 75 TYR OH : rot -29:sc= 1.15 USER MOD ----------------------------------------------------------------- ATOM 144 N LYS A 11 -3.583 3.988 -13.608 1.00 2.60 N ATOM 145 CA LYS A 11 -2.828 2.776 -13.176 1.00 2.06 C ATOM 146 C LYS A 11 -3.417 2.323 -11.848 1.00 1.85 C ATOM 147 O LYS A 11 -3.912 3.136 -11.104 1.00 2.10 O ATOM 148 CB LYS A 11 -1.346 3.126 -12.979 1.00 1.83 C ATOM 149 CG LYS A 11 -0.705 3.548 -14.317 1.00 2.51 C ATOM 150 CD LYS A 11 0.587 4.345 -14.056 1.00 3.20 C ATOM 151 CE LYS A 11 1.646 3.447 -13.397 1.00 3.07 C ATOM 152 NZ LYS A 11 2.841 3.297 -14.273 1.00 3.67 N ATOM 0 HA LYS A 11 -2.904 1.991 -13.928 1.00 2.06 H new ATOM 0 HB2 LYS A 11 -1.251 3.934 -12.253 1.00 1.83 H new ATOM 0 HB3 LYS A 11 -0.815 2.266 -12.570 1.00 1.83 H new ATOM 0 HG2 LYS A 11 -0.482 2.666 -14.917 1.00 2.51 H new ATOM 0 HG3 LYS A 11 -1.406 4.154 -14.890 1.00 2.51 H new ATOM 0 HD2 LYS A 11 0.972 4.744 -14.995 1.00 3.20 H new ATOM 0 HD3 LYS A 11 0.372 5.198 -13.412 1.00 3.20 H new ATOM 0 HE2 LYS A 11 1.944 3.874 -12.439 1.00 3.07 H new ATOM 0 HE3 LYS A 11 1.218 2.466 -13.189 1.00 3.07 H new ATOM 0 HZ1 LYS A 11 3.540 2.686 -13.805 1.00 3.67 H new ATOM 0 HZ2 LYS A 11 2.557 2.868 -15.177 1.00 3.67 H new ATOM 0 HZ3 LYS A 11 3.261 4.232 -14.450 1.00 3.67 H new ATOM 166 N VAL A 12 -3.342 1.063 -11.553 1.00 1.64 N ATOM 167 CA VAL A 12 -3.911 0.613 -10.259 1.00 1.44 C ATOM 168 C VAL A 12 -2.915 -0.323 -9.584 1.00 1.23 C ATOM 169 O VAL A 12 -2.194 -1.047 -10.241 1.00 1.66 O ATOM 170 CB VAL A 12 -5.273 -0.060 -10.532 1.00 1.69 C ATOM 171 CG1 VAL A 12 -5.095 -1.293 -11.427 1.00 3.37 C ATOM 172 CG2 VAL A 12 -5.935 -0.471 -9.211 1.00 3.05 C ATOM 0 H VAL A 12 -2.922 0.338 -12.135 1.00 1.64 H new ATOM 0 HA VAL A 12 -4.084 1.448 -9.581 1.00 1.44 H new ATOM 0 HB VAL A 12 -5.913 0.658 -11.045 1.00 1.69 H new ATOM 0 HG11 VAL A 12 -6.066 -1.754 -11.608 1.00 3.37 H new ATOM 0 HG12 VAL A 12 -4.653 -0.992 -12.377 1.00 3.37 H new ATOM 0 HG13 VAL A 12 -4.440 -2.010 -10.933 1.00 3.37 H new ATOM 0 HG21 VAL A 12 -6.895 -0.945 -9.417 1.00 3.05 H new ATOM 0 HG22 VAL A 12 -5.290 -1.173 -8.684 1.00 3.05 H new ATOM 0 HG23 VAL A 12 -6.092 0.413 -8.592 1.00 3.05 H new ATOM 182 N PHE A 13 -2.886 -0.273 -8.286 1.00 1.00 N ATOM 183 CA PHE A 13 -1.940 -1.137 -7.534 1.00 1.02 C ATOM 184 C PHE A 13 -2.706 -1.830 -6.424 1.00 0.82 C ATOM 185 O PHE A 13 -3.746 -1.342 -6.013 1.00 0.89 O ATOM 186 CB PHE A 13 -0.835 -0.286 -6.900 1.00 1.37 C ATOM 187 CG PHE A 13 -0.280 0.718 -7.916 1.00 1.19 C ATOM 188 CD1 PHE A 13 0.587 0.302 -8.906 1.00 1.51 C ATOM 189 CD2 PHE A 13 -0.606 2.062 -7.831 1.00 1.78 C ATOM 190 CE1 PHE A 13 1.137 1.215 -9.782 1.00 1.92 C ATOM 191 CE2 PHE A 13 -0.056 2.973 -8.708 1.00 2.15 C ATOM 192 CZ PHE A 13 0.821 2.549 -9.680 1.00 2.07 C ATOM 0 H PHE A 13 -3.476 0.329 -7.712 1.00 1.00 H new ATOM 0 HA PHE A 13 -1.492 -1.861 -8.215 1.00 1.02 H new ATOM 0 HB2 PHE A 13 -1.229 0.245 -6.033 1.00 1.37 H new ATOM 0 HB3 PHE A 13 -0.032 -0.930 -6.541 1.00 1.37 H new ATOM 0 HD1 PHE A 13 0.837 -0.745 -8.996 1.00 1.51 H new ATOM 0 HD2 PHE A 13 -1.296 2.399 -7.072 1.00 1.78 H new ATOM 0 HE1 PHE A 13 1.818 0.881 -10.551 1.00 1.92 H new ATOM 0 HE2 PHE A 13 -0.313 4.019 -8.632 1.00 2.15 H new ATOM 0 HZ PHE A 13 1.260 3.263 -10.361 1.00 2.07 H new ATOM 202 N ARG A 14 -2.181 -2.933 -5.985 1.00 0.93 N ATOM 203 CA ARG A 14 -2.827 -3.697 -4.898 1.00 0.95 C ATOM 204 C ARG A 14 -1.778 -4.046 -3.851 1.00 1.02 C ATOM 205 O ARG A 14 -1.010 -4.968 -4.052 1.00 1.33 O ATOM 206 CB ARG A 14 -3.402 -4.991 -5.497 1.00 1.31 C ATOM 207 CG ARG A 14 -4.904 -4.919 -5.556 1.00 1.23 C ATOM 208 CD ARG A 14 -5.292 -3.899 -6.608 1.00 2.64 C ATOM 209 NE ARG A 14 -6.662 -4.242 -6.990 1.00 2.77 N ATOM 210 CZ ARG A 14 -7.617 -3.708 -6.325 1.00 4.11 C ATOM 211 NH1 ARG A 14 -8.039 -2.534 -6.660 1.00 5.64 N ATOM 212 NH2 ARG A 14 -8.060 -4.351 -5.296 1.00 4.52 N ATOM 0 H ARG A 14 -1.317 -3.342 -6.341 1.00 0.93 H new ATOM 0 HA ARG A 14 -3.622 -3.112 -4.435 1.00 0.95 H new ATOM 0 HB2 ARG A 14 -2.999 -5.146 -6.498 1.00 1.31 H new ATOM 0 HB3 ARG A 14 -3.096 -5.846 -4.894 1.00 1.31 H new ATOM 0 HG2 ARG A 14 -5.321 -5.895 -5.802 1.00 1.23 H new ATOM 0 HG3 ARG A 14 -5.309 -4.635 -4.585 1.00 1.23 H new ATOM 0 HD2 ARG A 14 -5.236 -2.885 -6.212 1.00 2.64 H new ATOM 0 HD3 ARG A 14 -4.621 -3.944 -7.466 1.00 2.64 H new ATOM 0 HE ARG A 14 -6.850 -4.884 -7.760 1.00 2.77 H new ATOM 0 HH11 ARG A 14 -7.612 -2.044 -7.446 1.00 5.64 H new ATOM 0 HH12 ARG A 14 -8.799 -2.097 -6.139 1.00 5.64 H new ATOM 0 HH21 ARG A 14 -7.650 -5.249 -5.041 1.00 4.52 H new ATOM 0 HH22 ARG A 14 -8.820 -3.960 -4.739 1.00 4.52 H new ATOM 226 N VAL A 15 -1.717 -3.316 -2.781 1.00 1.29 N ATOM 227 CA VAL A 15 -0.703 -3.669 -1.760 1.00 1.49 C ATOM 228 C VAL A 15 -1.327 -4.756 -0.898 1.00 1.57 C ATOM 229 O VAL A 15 -1.865 -4.499 0.161 1.00 2.39 O ATOM 230 CB VAL A 15 -0.323 -2.444 -0.916 1.00 1.59 C ATOM 231 CG1 VAL A 15 0.883 -2.801 -0.035 1.00 1.94 C ATOM 232 CG2 VAL A 15 0.051 -1.283 -1.842 1.00 1.73 C ATOM 0 H VAL A 15 -2.307 -2.511 -2.571 1.00 1.29 H new ATOM 0 HA VAL A 15 0.219 -4.019 -2.225 1.00 1.49 H new ATOM 0 HB VAL A 15 -1.166 -2.151 -0.290 1.00 1.59 H new ATOM 0 HG11 VAL A 15 1.161 -1.937 0.569 1.00 1.94 H new ATOM 0 HG12 VAL A 15 0.622 -3.632 0.620 1.00 1.94 H new ATOM 0 HG13 VAL A 15 1.723 -3.087 -0.667 1.00 1.94 H new ATOM 0 HG21 VAL A 15 0.321 -0.413 -1.244 1.00 1.73 H new ATOM 0 HG22 VAL A 15 0.898 -1.572 -2.464 1.00 1.73 H new ATOM 0 HG23 VAL A 15 -0.799 -1.036 -2.478 1.00 1.73 H new ATOM 242 N ASN A 16 -1.369 -5.926 -1.472 1.00 1.20 N ATOM 243 CA ASN A 16 -1.938 -7.084 -0.741 1.00 1.18 C ATOM 244 C ASN A 16 -1.207 -7.247 0.582 1.00 1.17 C ATOM 245 O ASN A 16 -0.026 -6.964 0.690 1.00 1.71 O ATOM 246 CB ASN A 16 -1.792 -8.349 -1.588 1.00 1.31 C ATOM 247 CG ASN A 16 -2.644 -8.209 -2.853 1.00 2.38 C ATOM 248 OD1 ASN A 16 -3.024 -7.131 -3.247 1.00 3.58 O ATOM 249 ND2 ASN A 16 -2.935 -9.266 -3.544 1.00 2.91 N ATOM 0 H ASN A 16 -1.034 -6.127 -2.414 1.00 1.20 H new ATOM 0 HA ASN A 16 -2.997 -6.915 -0.546 1.00 1.18 H new ATOM 0 HB2 ASN A 16 -0.747 -8.504 -1.855 1.00 1.31 H new ATOM 0 HB3 ASN A 16 -2.108 -9.222 -1.017 1.00 1.31 H new ATOM 0 HD21 ASN A 16 -3.476 -9.180 -4.404 1.00 2.91 H new ATOM 0 HD22 ASN A 16 -2.623 -10.184 -3.227 1.00 2.91 H new ATOM 256 N VAL A 17 -1.940 -7.697 1.539 1.00 0.88 N ATOM 257 CA VAL A 17 -1.383 -7.892 2.889 1.00 0.91 C ATOM 258 C VAL A 17 -1.565 -9.344 3.286 1.00 0.94 C ATOM 259 O VAL A 17 -2.686 -9.774 3.551 1.00 1.05 O ATOM 260 CB VAL A 17 -2.159 -6.983 3.840 1.00 0.99 C ATOM 261 CG1 VAL A 17 -1.755 -7.277 5.284 1.00 1.42 C ATOM 262 CG2 VAL A 17 -1.830 -5.524 3.502 1.00 1.79 C ATOM 0 H VAL A 17 -2.925 -7.944 1.443 1.00 0.88 H new ATOM 0 HA VAL A 17 -0.321 -7.649 2.923 1.00 0.91 H new ATOM 0 HB VAL A 17 -3.229 -7.161 3.730 1.00 0.99 H new ATOM 0 HG11 VAL A 17 -2.312 -6.625 5.957 1.00 1.42 H new ATOM 0 HG12 VAL A 17 -1.978 -8.318 5.519 1.00 1.42 H new ATOM 0 HG13 VAL A 17 -0.687 -7.098 5.407 1.00 1.42 H new ATOM 0 HG21 VAL A 17 -2.377 -4.863 4.174 1.00 1.79 H new ATOM 0 HG22 VAL A 17 -0.760 -5.356 3.620 1.00 1.79 H new ATOM 0 HG23 VAL A 17 -2.119 -5.315 2.472 1.00 1.79 H new ATOM 272 N GLU A 18 -0.477 -10.039 3.416 1.00 1.00 N ATOM 273 CA GLU A 18 -0.578 -11.459 3.787 1.00 1.14 C ATOM 274 C GLU A 18 -0.603 -11.586 5.300 1.00 1.08 C ATOM 275 O GLU A 18 -1.348 -12.389 5.828 1.00 1.17 O ATOM 276 CB GLU A 18 0.624 -12.180 3.195 1.00 1.39 C ATOM 277 CG GLU A 18 0.688 -11.914 1.680 1.00 2.03 C ATOM 278 CD GLU A 18 -0.718 -11.906 1.057 1.00 2.68 C ATOM 279 OE1 GLU A 18 -1.331 -12.961 1.072 1.00 3.07 O ATOM 280 OE2 GLU A 18 -1.120 -10.829 0.626 1.00 4.02 O ATOM 0 H GLU A 18 0.470 -9.684 3.281 1.00 1.00 H new ATOM 0 HA GLU A 18 -1.495 -11.903 3.400 1.00 1.14 H new ATOM 0 HB2 GLU A 18 1.540 -11.836 3.674 1.00 1.39 H new ATOM 0 HB3 GLU A 18 0.548 -13.251 3.384 1.00 1.39 H new ATOM 0 HG2 GLU A 18 1.175 -10.956 1.496 1.00 2.03 H new ATOM 0 HG3 GLU A 18 1.297 -12.679 1.199 1.00 2.03 H new ATOM 287 N ASP A 19 0.208 -10.813 5.964 1.00 1.03 N ATOM 288 CA ASP A 19 0.197 -10.887 7.460 1.00 1.11 C ATOM 289 C ASP A 19 0.122 -9.474 7.970 1.00 1.00 C ATOM 290 O ASP A 19 -0.403 -8.595 7.324 1.00 1.08 O ATOM 291 CB ASP A 19 1.472 -11.515 8.045 1.00 1.26 C ATOM 292 CG ASP A 19 1.152 -12.272 9.344 1.00 2.32 C ATOM 293 OD1 ASP A 19 0.593 -13.352 9.233 1.00 3.71 O ATOM 294 OD2 ASP A 19 1.480 -11.706 10.373 1.00 3.04 O ATOM 0 H ASP A 19 0.864 -10.148 5.554 1.00 1.03 H new ATOM 0 HA ASP A 19 -0.647 -11.509 7.759 1.00 1.11 H new ATOM 0 HB2 ASP A 19 1.914 -12.197 7.319 1.00 1.26 H new ATOM 0 HB3 ASP A 19 2.210 -10.737 8.243 1.00 1.26 H new ATOM 299 N GLU A 20 0.678 -9.282 9.108 1.00 1.04 N ATOM 300 CA GLU A 20 0.663 -7.919 9.658 1.00 1.04 C ATOM 301 C GLU A 20 1.894 -7.212 9.101 1.00 0.92 C ATOM 302 O GLU A 20 1.839 -6.055 8.804 1.00 0.99 O ATOM 303 CB GLU A 20 0.699 -7.966 11.177 1.00 1.15 C ATOM 304 CG GLU A 20 0.325 -6.584 11.733 1.00 1.95 C ATOM 305 CD GLU A 20 -1.212 -6.392 11.792 1.00 2.69 C ATOM 306 OE1 GLU A 20 -1.857 -6.670 10.793 1.00 3.56 O ATOM 307 OE2 GLU A 20 -1.684 -5.985 12.844 1.00 3.25 O ATOM 0 H GLU A 20 1.137 -9.993 9.678 1.00 1.04 H new ATOM 0 HA GLU A 20 -0.245 -7.385 9.378 1.00 1.04 H new ATOM 0 HB2 GLU A 20 0.004 -8.720 11.546 1.00 1.15 H new ATOM 0 HB3 GLU A 20 1.693 -8.253 11.521 1.00 1.15 H new ATOM 0 HG2 GLU A 20 0.746 -6.466 12.732 1.00 1.95 H new ATOM 0 HG3 GLU A 20 0.766 -5.808 11.108 1.00 1.95 H new ATOM 314 N ASN A 21 2.974 -7.943 8.968 1.00 0.89 N ATOM 315 CA ASN A 21 4.246 -7.364 8.403 1.00 0.89 C ATOM 316 C ASN A 21 3.936 -6.440 7.209 1.00 0.83 C ATOM 317 O ASN A 21 4.414 -5.323 7.110 1.00 0.97 O ATOM 318 CB ASN A 21 5.119 -8.548 7.958 1.00 1.02 C ATOM 319 CG ASN A 21 6.373 -8.114 7.187 1.00 1.44 C ATOM 320 OD1 ASN A 21 7.068 -8.948 6.639 1.00 2.54 O ATOM 321 ND2 ASN A 21 6.711 -6.855 7.102 1.00 1.97 N ATOM 0 H ASN A 21 3.035 -8.927 9.228 1.00 0.89 H new ATOM 0 HA ASN A 21 4.763 -6.762 9.150 1.00 0.89 H new ATOM 0 HB2 ASN A 21 5.419 -9.121 8.836 1.00 1.02 H new ATOM 0 HB3 ASN A 21 4.526 -9.214 7.331 1.00 1.02 H new ATOM 0 HD21 ASN A 21 7.546 -6.585 6.582 1.00 1.97 H new ATOM 0 HD22 ASN A 21 6.140 -6.142 7.555 1.00 1.97 H new ATOM 328 N ASP A 22 3.158 -6.963 6.318 1.00 0.75 N ATOM 329 CA ASP A 22 2.760 -6.191 5.112 1.00 0.78 C ATOM 330 C ASP A 22 2.067 -4.881 5.510 1.00 0.78 C ATOM 331 O ASP A 22 2.159 -3.884 4.815 1.00 1.01 O ATOM 332 CB ASP A 22 1.834 -7.093 4.293 1.00 0.83 C ATOM 333 CG ASP A 22 2.657 -8.109 3.492 1.00 2.19 C ATOM 334 OD1 ASP A 22 3.393 -7.682 2.608 1.00 3.01 O ATOM 335 OD2 ASP A 22 2.485 -9.271 3.806 1.00 3.46 O ATOM 0 H ASP A 22 2.773 -7.906 6.370 1.00 0.75 H new ATOM 0 HA ASP A 22 3.631 -5.909 4.521 1.00 0.78 H new ATOM 0 HB2 ASP A 22 1.143 -7.615 4.955 1.00 0.83 H new ATOM 0 HB3 ASP A 22 1.231 -6.488 3.616 1.00 0.83 H new ATOM 340 N ILE A 23 1.375 -4.909 6.608 1.00 0.68 N ATOM 341 CA ILE A 23 0.691 -3.673 7.093 1.00 0.74 C ATOM 342 C ILE A 23 1.679 -2.827 7.880 1.00 0.75 C ATOM 343 O ILE A 23 1.738 -1.628 7.693 1.00 0.91 O ATOM 344 CB ILE A 23 -0.474 -4.040 8.015 1.00 0.78 C ATOM 345 CG1 ILE A 23 -1.589 -4.652 7.172 1.00 1.06 C ATOM 346 CG2 ILE A 23 -1.000 -2.771 8.714 1.00 0.92 C ATOM 347 CD1 ILE A 23 -2.443 -5.559 8.050 1.00 1.14 C ATOM 0 H ILE A 23 1.250 -5.733 7.196 1.00 0.68 H new ATOM 0 HA ILE A 23 0.316 -3.120 6.232 1.00 0.74 H new ATOM 0 HB ILE A 23 -0.140 -4.752 8.769 1.00 0.78 H new ATOM 0 HG12 ILE A 23 -2.204 -3.865 6.735 1.00 1.06 H new ATOM 0 HG13 ILE A 23 -1.165 -5.221 6.345 1.00 1.06 H new ATOM 0 HG21 ILE A 23 -1.830 -3.034 9.370 1.00 0.92 H new ATOM 0 HG22 ILE A 23 -0.200 -2.322 9.303 1.00 0.92 H new ATOM 0 HG23 ILE A 23 -1.343 -2.058 7.964 1.00 0.92 H new ATOM 0 HD11 ILE A 23 -3.241 -5.998 7.451 1.00 1.14 H new ATOM 0 HD12 ILE A 23 -1.822 -6.353 8.466 1.00 1.14 H new ATOM 0 HD13 ILE A 23 -2.877 -4.976 8.862 1.00 1.14 H new ATOM 359 N SER A 24 2.447 -3.457 8.729 1.00 0.76 N ATOM 360 CA SER A 24 3.421 -2.670 9.528 1.00 0.88 C ATOM 361 C SER A 24 4.338 -1.934 8.571 1.00 0.98 C ATOM 362 O SER A 24 4.665 -0.789 8.795 1.00 1.31 O ATOM 363 CB SER A 24 4.244 -3.598 10.424 1.00 0.98 C ATOM 364 OG SER A 24 4.678 -4.635 9.557 1.00 2.28 O ATOM 0 H SER A 24 2.441 -4.463 8.900 1.00 0.76 H new ATOM 0 HA SER A 24 2.891 -1.961 10.164 1.00 0.88 H new ATOM 0 HB2 SER A 24 5.089 -3.073 10.869 1.00 0.98 H new ATOM 0 HB3 SER A 24 3.645 -3.992 11.245 1.00 0.98 H new ATOM 0 HG SER A 24 5.564 -4.415 9.201 1.00 2.28 H new ATOM 370 N GLU A 25 4.676 -2.595 7.498 1.00 0.79 N ATOM 371 CA GLU A 25 5.579 -1.964 6.507 1.00 0.93 C ATOM 372 C GLU A 25 4.814 -1.037 5.561 1.00 0.99 C ATOM 373 O GLU A 25 5.320 0.009 5.222 1.00 1.18 O ATOM 374 CB GLU A 25 6.306 -3.091 5.766 1.00 1.20 C ATOM 375 CG GLU A 25 7.738 -3.229 6.336 1.00 1.46 C ATOM 376 CD GLU A 25 7.709 -3.186 7.873 1.00 2.66 C ATOM 377 OE1 GLU A 25 7.176 -4.139 8.426 1.00 3.80 O ATOM 378 OE2 GLU A 25 8.197 -2.198 8.406 1.00 3.63 O ATOM 0 H GLU A 25 4.366 -3.539 7.269 1.00 0.79 H new ATOM 0 HA GLU A 25 6.309 -1.326 7.005 1.00 0.93 H new ATOM 0 HB2 GLU A 25 5.763 -4.029 5.882 1.00 1.20 H new ATOM 0 HB3 GLU A 25 6.345 -2.875 4.698 1.00 1.20 H new ATOM 0 HG2 GLU A 25 8.181 -4.167 6.000 1.00 1.46 H new ATOM 0 HG3 GLU A 25 8.367 -2.425 5.955 1.00 1.46 H new ATOM 385 N LEU A 26 3.623 -1.374 5.144 1.00 0.92 N ATOM 386 CA LEU A 26 2.906 -0.418 4.250 1.00 1.06 C ATOM 387 C LEU A 26 2.557 0.849 5.058 1.00 1.01 C ATOM 388 O LEU A 26 2.624 1.960 4.553 1.00 1.10 O ATOM 389 CB LEU A 26 1.642 -1.113 3.719 1.00 1.12 C ATOM 390 CG LEU A 26 0.626 -0.087 3.211 1.00 0.97 C ATOM 391 CD1 LEU A 26 1.218 0.733 2.055 1.00 2.17 C ATOM 392 CD2 LEU A 26 -0.632 -0.818 2.720 1.00 1.44 C ATOM 0 H LEU A 26 3.129 -2.237 5.372 1.00 0.92 H new ATOM 0 HA LEU A 26 3.525 -0.122 3.403 1.00 1.06 H new ATOM 0 HB2 LEU A 26 1.909 -1.796 2.913 1.00 1.12 H new ATOM 0 HB3 LEU A 26 1.193 -1.714 4.510 1.00 1.12 H new ATOM 0 HG LEU A 26 0.372 0.589 4.028 1.00 0.97 H new ATOM 0 HD11 LEU A 26 0.481 1.457 1.707 1.00 2.17 H new ATOM 0 HD12 LEU A 26 2.108 1.259 2.400 1.00 2.17 H new ATOM 0 HD13 LEU A 26 1.486 0.066 1.236 1.00 2.17 H new ATOM 0 HD21 LEU A 26 -1.358 -0.090 2.358 1.00 1.44 H new ATOM 0 HD22 LEU A 26 -0.365 -1.498 1.911 1.00 1.44 H new ATOM 0 HD23 LEU A 26 -1.067 -1.386 3.542 1.00 1.44 H new ATOM 404 N HIS A 27 2.201 0.642 6.303 1.00 0.94 N ATOM 405 CA HIS A 27 1.837 1.794 7.183 1.00 0.96 C ATOM 406 C HIS A 27 2.896 2.880 7.085 1.00 0.95 C ATOM 407 O HIS A 27 2.561 4.036 6.954 1.00 1.04 O ATOM 408 CB HIS A 27 1.702 1.352 8.648 1.00 0.93 C ATOM 409 CG HIS A 27 0.301 1.616 9.206 1.00 0.86 C ATOM 410 ND1 HIS A 27 -0.241 2.811 9.169 1.00 1.73 N ATOM 411 CD2 HIS A 27 -0.632 0.785 9.769 1.00 1.15 C ATOM 412 CE1 HIS A 27 -1.450 2.734 9.677 1.00 1.85 C ATOM 413 NE2 HIS A 27 -1.680 1.498 10.042 1.00 1.22 N ATOM 0 H HIS A 27 2.147 -0.275 6.747 1.00 0.94 H new ATOM 0 HA HIS A 27 0.876 2.182 6.844 1.00 0.96 H new ATOM 0 HB2 HIS A 27 1.928 0.289 8.727 1.00 0.93 H new ATOM 0 HB3 HIS A 27 2.438 1.880 9.254 1.00 0.93 H new ATOM 0 HD2 HIS A 27 -0.515 -0.273 9.952 1.00 1.15 H new ATOM 0 HE1 HIS A 27 -2.142 3.557 9.777 1.00 1.85 H new ATOM 0 HE2 HIS A 27 -2.540 1.154 10.470 1.00 1.22 H new ATOM 421 N GLU A 28 4.145 2.482 7.187 1.00 0.92 N ATOM 422 CA GLU A 28 5.261 3.481 7.085 1.00 0.94 C ATOM 423 C GLU A 28 4.961 4.460 5.931 1.00 0.93 C ATOM 424 O GLU A 28 5.086 5.666 6.068 1.00 1.09 O ATOM 425 CB GLU A 28 6.575 2.720 6.838 1.00 0.96 C ATOM 426 CG GLU A 28 7.787 3.662 6.986 1.00 1.70 C ATOM 427 CD GLU A 28 7.912 4.166 8.433 1.00 2.43 C ATOM 428 OE1 GLU A 28 7.787 3.331 9.316 1.00 3.24 O ATOM 429 OE2 GLU A 28 8.138 5.356 8.569 1.00 3.35 O ATOM 0 H GLU A 28 4.438 1.516 7.335 1.00 0.92 H new ATOM 0 HA GLU A 28 5.353 4.057 8.006 1.00 0.94 H new ATOM 0 HB2 GLU A 28 6.661 1.895 7.545 1.00 0.96 H new ATOM 0 HB3 GLU A 28 6.566 2.285 5.839 1.00 0.96 H new ATOM 0 HG2 GLU A 28 8.698 3.138 6.699 1.00 1.70 H new ATOM 0 HG3 GLU A 28 7.680 4.509 6.309 1.00 1.70 H new ATOM 436 N LEU A 29 4.518 3.902 4.832 1.00 0.84 N ATOM 437 CA LEU A 29 4.176 4.730 3.635 1.00 0.88 C ATOM 438 C LEU A 29 2.860 5.478 3.899 1.00 1.05 C ATOM 439 O LEU A 29 2.715 6.646 3.567 1.00 1.43 O ATOM 440 CB LEU A 29 4.013 3.778 2.435 1.00 1.02 C ATOM 441 CG LEU A 29 4.360 4.441 1.088 1.00 1.50 C ATOM 442 CD1 LEU A 29 3.508 5.695 0.848 1.00 1.46 C ATOM 443 CD2 LEU A 29 5.840 4.826 1.071 1.00 3.25 C ATOM 0 H LEU A 29 4.377 2.899 4.712 1.00 0.84 H new ATOM 0 HA LEU A 29 4.958 5.461 3.429 1.00 0.88 H new ATOM 0 HB2 LEU A 29 4.652 2.907 2.580 1.00 1.02 H new ATOM 0 HB3 LEU A 29 2.985 3.417 2.402 1.00 1.02 H new ATOM 0 HG LEU A 29 4.149 3.724 0.294 1.00 1.50 H new ATOM 0 HD11 LEU A 29 3.777 6.140 -0.110 1.00 1.46 H new ATOM 0 HD12 LEU A 29 2.453 5.422 0.838 1.00 1.46 H new ATOM 0 HD13 LEU A 29 3.689 6.416 1.646 1.00 1.46 H new ATOM 0 HD21 LEU A 29 6.083 5.295 0.117 1.00 3.25 H new ATOM 0 HD22 LEU A 29 6.043 5.526 1.882 1.00 3.25 H new ATOM 0 HD23 LEU A 29 6.450 3.932 1.202 1.00 3.25 H new ATOM 455 N ALA A 30 1.917 4.784 4.488 1.00 1.19 N ATOM 456 CA ALA A 30 0.608 5.436 4.794 1.00 1.55 C ATOM 457 C ALA A 30 0.861 6.751 5.538 1.00 1.58 C ATOM 458 O ALA A 30 0.139 7.719 5.358 1.00 1.72 O ATOM 459 CB ALA A 30 -0.236 4.506 5.668 1.00 1.86 C ATOM 0 H ALA A 30 1.996 3.806 4.767 1.00 1.19 H new ATOM 0 HA ALA A 30 0.074 5.638 3.865 1.00 1.55 H new ATOM 0 HB1 ALA A 30 -1.191 4.983 5.891 1.00 1.86 H new ATOM 0 HB2 ALA A 30 -0.413 3.570 5.138 1.00 1.86 H new ATOM 0 HB3 ALA A 30 0.293 4.302 6.599 1.00 1.86 H new ATOM 465 N SER A 31 1.839 6.712 6.418 1.00 1.81 N ATOM 466 CA SER A 31 2.218 7.926 7.212 1.00 2.05 C ATOM 467 C SER A 31 2.174 9.206 6.359 1.00 2.18 C ATOM 468 O SER A 31 1.290 10.029 6.531 1.00 3.09 O ATOM 469 CB SER A 31 3.636 7.726 7.751 1.00 2.23 C ATOM 470 OG SER A 31 3.628 6.394 8.238 1.00 2.73 O ATOM 0 H SER A 31 2.395 5.881 6.620 1.00 1.81 H new ATOM 0 HA SER A 31 1.501 8.047 8.024 1.00 2.05 H new ATOM 0 HB2 SER A 31 4.384 7.862 6.970 1.00 2.23 H new ATOM 0 HB3 SER A 31 3.868 8.440 8.542 1.00 2.23 H new ATOM 0 HG SER A 31 4.249 5.849 7.711 1.00 2.73 H new ATOM 476 N THR A 32 3.106 9.333 5.439 1.00 1.79 N ATOM 477 CA THR A 32 3.133 10.549 4.566 1.00 2.40 C ATOM 478 C THR A 32 1.981 10.434 3.580 1.00 2.77 C ATOM 479 O THR A 32 1.349 11.412 3.232 1.00 3.72 O ATOM 480 CB THR A 32 4.474 10.627 3.827 1.00 2.67 C ATOM 481 OG1 THR A 32 4.716 9.308 3.348 1.00 2.76 O ATOM 482 CG2 THR A 32 5.629 10.941 4.793 1.00 2.97 C ATOM 0 H THR A 32 3.843 8.651 5.258 1.00 1.79 H new ATOM 0 HA THR A 32 3.026 11.457 5.160 1.00 2.40 H new ATOM 0 HB THR A 32 4.428 11.397 3.057 1.00 2.67 H new ATOM 0 HG1 THR A 32 5.566 9.288 2.860 1.00 2.76 H new ATOM 0 HG21 THR A 32 6.565 10.989 4.237 1.00 2.97 H new ATOM 0 HG22 THR A 32 5.446 11.899 5.280 1.00 2.97 H new ATOM 0 HG23 THR A 32 5.695 10.157 5.548 1.00 2.97 H new ATOM 490 N ARG A 33 1.753 9.219 3.160 1.00 2.46 N ATOM 491 CA ARG A 33 0.631 8.926 2.235 1.00 3.07 C ATOM 492 C ARG A 33 0.821 9.580 0.863 1.00 1.76 C ATOM 493 O ARG A 33 0.114 10.504 0.497 1.00 2.10 O ATOM 494 CB ARG A 33 -0.657 9.419 2.908 1.00 4.67 C ATOM 495 CG ARG A 33 -1.782 8.397 2.721 1.00 6.08 C ATOM 496 CD ARG A 33 -2.977 8.833 3.567 1.00 7.75 C ATOM 497 NE ARG A 33 -2.502 9.103 4.962 1.00 8.45 N ATOM 498 CZ ARG A 33 -2.861 10.217 5.545 1.00 9.50 C ATOM 499 NH1 ARG A 33 -4.112 10.587 5.445 1.00 10.17 N ATOM 500 NH2 ARG A 33 -1.961 10.920 6.177 1.00 10.26 N ATOM 0 H ARG A 33 2.309 8.406 3.426 1.00 2.46 H new ATOM 0 HA ARG A 33 0.584 7.853 2.046 1.00 3.07 H new ATOM 0 HB2 ARG A 33 -0.480 9.584 3.971 1.00 4.67 H new ATOM 0 HB3 ARG A 33 -0.953 10.378 2.482 1.00 4.67 H new ATOM 0 HG2 ARG A 33 -2.065 8.333 1.670 1.00 6.08 H new ATOM 0 HG3 ARG A 33 -1.446 7.405 3.022 1.00 6.08 H new ATOM 0 HD2 ARG A 33 -3.434 9.727 3.143 1.00 7.75 H new ATOM 0 HD3 ARG A 33 -3.741 8.056 3.571 1.00 7.75 H new ATOM 0 HE ARG A 33 -1.909 8.430 5.448 1.00 8.45 H new ATOM 0 HH11 ARG A 33 -4.774 10.012 4.924 1.00 10.17 H new ATOM 0 HH12 ARG A 33 -4.425 11.451 5.888 1.00 10.17 H new ATOM 0 HH21 ARG A 33 -0.994 10.598 6.211 1.00 10.26 H new ATOM 0 HH22 ARG A 33 -2.225 11.791 6.637 1.00 10.26 H new ATOM 514 N GLN A 34 1.775 9.063 0.128 1.00 1.96 N ATOM 515 CA GLN A 34 2.034 9.598 -1.242 1.00 2.57 C ATOM 516 C GLN A 34 0.921 9.089 -2.169 1.00 2.18 C ATOM 517 O GLN A 34 0.858 9.431 -3.325 1.00 2.41 O ATOM 518 CB GLN A 34 3.389 9.083 -1.753 1.00 4.27 C ATOM 519 CG GLN A 34 4.529 9.498 -0.805 1.00 5.08 C ATOM 520 CD GLN A 34 5.872 9.027 -1.391 1.00 6.71 C ATOM 521 OE1 GLN A 34 6.649 8.341 -0.749 1.00 7.80 O ATOM 522 NE2 GLN A 34 6.181 9.365 -2.609 1.00 7.35 N ATOM 0 H GLN A 34 2.383 8.297 0.417 1.00 1.96 H new ATOM 0 HA GLN A 34 2.052 10.688 -1.222 1.00 2.57 H new ATOM 0 HB2 GLN A 34 3.360 7.997 -1.840 1.00 4.27 H new ATOM 0 HB3 GLN A 34 3.579 9.477 -2.751 1.00 4.27 H new ATOM 0 HG2 GLN A 34 4.535 10.580 -0.676 1.00 5.08 H new ATOM 0 HG3 GLN A 34 4.375 9.060 0.181 1.00 5.08 H new ATOM 0 HE21 GLN A 34 5.540 9.939 -3.157 1.00 7.35 H new ATOM 0 HE22 GLN A 34 7.064 9.056 -3.015 1.00 7.35 H new ATOM 531 N ILE A 35 0.080 8.267 -1.611 1.00 1.74 N ATOM 532 CA ILE A 35 -1.062 7.670 -2.348 1.00 1.42 C ATOM 533 C ILE A 35 -2.346 7.891 -1.566 1.00 1.14 C ATOM 534 O ILE A 35 -2.331 8.391 -0.461 1.00 1.32 O ATOM 535 CB ILE A 35 -0.855 6.150 -2.490 1.00 1.51 C ATOM 536 CG1 ILE A 35 0.021 5.584 -1.353 1.00 1.58 C ATOM 537 CG2 ILE A 35 -0.197 5.853 -3.827 1.00 2.21 C ATOM 538 CD1 ILE A 35 -0.720 5.653 -0.011 1.00 1.70 C ATOM 0 H ILE A 35 0.142 7.975 -0.636 1.00 1.74 H new ATOM 0 HA ILE A 35 -1.125 8.139 -3.330 1.00 1.42 H new ATOM 0 HB ILE A 35 -1.833 5.671 -2.433 1.00 1.51 H new ATOM 0 HG12 ILE A 35 0.289 4.551 -1.574 1.00 1.58 H new ATOM 0 HG13 ILE A 35 0.952 6.148 -1.289 1.00 1.58 H new ATOM 0 HG21 ILE A 35 -0.050 4.778 -3.929 1.00 2.21 H new ATOM 0 HG22 ILE A 35 -0.836 6.210 -4.634 1.00 2.21 H new ATOM 0 HG23 ILE A 35 0.768 6.358 -3.878 1.00 2.21 H new ATOM 0 HD11 ILE A 35 -0.084 5.249 0.777 1.00 1.70 H new ATOM 0 HD12 ILE A 35 -0.965 6.691 0.217 1.00 1.70 H new ATOM 0 HD13 ILE A 35 -1.638 5.069 -0.072 1.00 1.70 H new ATOM 550 N ASP A 36 -3.422 7.477 -2.151 1.00 1.04 N ATOM 551 CA ASP A 36 -4.726 7.609 -1.471 1.00 1.00 C ATOM 552 C ASP A 36 -5.113 6.221 -1.012 1.00 1.09 C ATOM 553 O ASP A 36 -4.393 5.262 -1.235 1.00 1.48 O ATOM 554 CB ASP A 36 -5.789 8.113 -2.453 1.00 1.26 C ATOM 555 CG ASP A 36 -5.288 9.391 -3.127 1.00 2.01 C ATOM 556 OD1 ASP A 36 -5.080 10.350 -2.404 1.00 3.22 O ATOM 557 OD2 ASP A 36 -5.114 9.330 -4.333 1.00 2.90 O ATOM 0 H ASP A 36 -3.455 7.050 -3.077 1.00 1.04 H new ATOM 0 HA ASP A 36 -4.657 8.314 -0.642 1.00 1.00 H new ATOM 0 HB2 ASP A 36 -5.998 7.350 -3.203 1.00 1.26 H new ATOM 0 HB3 ASP A 36 -6.724 8.308 -1.927 1.00 1.26 H new ATOM 562 N PHE A 37 -6.213 6.152 -0.354 1.00 1.08 N ATOM 563 CA PHE A 37 -6.711 4.843 0.108 1.00 1.33 C ATOM 564 C PHE A 37 -8.121 4.722 -0.416 1.00 1.39 C ATOM 565 O PHE A 37 -9.080 4.997 0.282 1.00 2.21 O ATOM 566 CB PHE A 37 -6.697 4.764 1.633 1.00 1.58 C ATOM 567 CG PHE A 37 -5.251 4.760 2.143 1.00 1.64 C ATOM 568 CD1 PHE A 37 -4.318 3.874 1.644 1.00 1.68 C ATOM 569 CD2 PHE A 37 -4.898 5.594 3.185 1.00 2.21 C ATOM 570 CE1 PHE A 37 -3.050 3.823 2.181 1.00 1.93 C ATOM 571 CE2 PHE A 37 -3.633 5.542 3.723 1.00 2.39 C ATOM 572 CZ PHE A 37 -2.706 4.657 3.219 1.00 2.10 C ATOM 0 H PHE A 37 -6.799 6.951 -0.111 1.00 1.08 H new ATOM 0 HA PHE A 37 -6.080 4.032 -0.255 1.00 1.33 H new ATOM 0 HB2 PHE A 37 -7.238 5.611 2.055 1.00 1.58 H new ATOM 0 HB3 PHE A 37 -7.211 3.861 1.964 1.00 1.58 H new ATOM 0 HD1 PHE A 37 -4.583 3.217 0.829 1.00 1.68 H new ATOM 0 HD2 PHE A 37 -5.620 6.293 3.581 1.00 2.21 H new ATOM 0 HE1 PHE A 37 -2.325 3.127 1.786 1.00 1.93 H new ATOM 0 HE2 PHE A 37 -3.367 6.195 4.541 1.00 2.39 H new ATOM 0 HZ PHE A 37 -1.711 4.618 3.638 1.00 2.10 H new ATOM 582 N TRP A 38 -8.219 4.373 -1.668 1.00 1.26 N ATOM 583 CA TRP A 38 -9.574 4.243 -2.238 1.00 1.36 C ATOM 584 C TRP A 38 -10.245 3.044 -1.585 1.00 1.25 C ATOM 585 O TRP A 38 -11.346 3.160 -1.100 1.00 1.28 O ATOM 586 CB TRP A 38 -9.519 4.065 -3.758 1.00 1.56 C ATOM 587 CG TRP A 38 -10.901 3.963 -4.414 1.00 1.73 C ATOM 588 CD1 TRP A 38 -11.966 4.781 -4.151 1.00 2.53 C ATOM 589 CD2 TRP A 38 -11.403 3.031 -5.296 1.00 2.21 C ATOM 590 NE1 TRP A 38 -13.015 4.381 -4.802 1.00 3.33 N ATOM 591 CE2 TRP A 38 -12.743 3.320 -5.523 1.00 3.29 C ATOM 592 CE3 TRP A 38 -10.798 1.949 -5.910 1.00 2.29 C ATOM 593 CZ2 TRP A 38 -13.504 2.540 -6.350 1.00 4.30 C ATOM 594 CZ3 TRP A 38 -11.584 1.166 -6.746 1.00 3.40 C ATOM 595 CH2 TRP A 38 -12.919 1.459 -6.966 1.00 4.33 C ATOM 0 H TRP A 38 -7.442 4.179 -2.299 1.00 1.26 H new ATOM 0 HA TRP A 38 -10.144 5.151 -2.041 1.00 1.36 H new ATOM 0 HB2 TRP A 38 -8.980 4.906 -4.195 1.00 1.56 H new ATOM 0 HB3 TRP A 38 -8.949 3.166 -3.990 1.00 1.56 H new ATOM 0 HD1 TRP A 38 -11.938 5.638 -3.495 1.00 2.53 H new ATOM 0 HE1 TRP A 38 -13.929 4.832 -4.759 1.00 3.33 H new ATOM 0 HE3 TRP A 38 -9.755 1.722 -5.746 1.00 2.29 H new ATOM 0 HZ2 TRP A 38 -14.546 2.769 -6.516 1.00 4.30 H new ATOM 0 HZ3 TRP A 38 -11.144 0.310 -7.235 1.00 3.40 H new ATOM 0 HH2 TRP A 38 -13.504 0.835 -7.625 1.00 4.33 H new ATOM 606 N LYS A 39 -9.587 1.911 -1.591 1.00 1.24 N ATOM 607 CA LYS A 39 -10.197 0.706 -0.941 1.00 1.25 C ATOM 608 C LYS A 39 -9.099 -0.135 -0.244 1.00 1.19 C ATOM 609 O LYS A 39 -8.049 -0.347 -0.804 1.00 1.31 O ATOM 610 CB LYS A 39 -10.913 -0.139 -2.006 1.00 1.42 C ATOM 611 CG LYS A 39 -12.278 -0.615 -1.460 1.00 2.10 C ATOM 612 CD LYS A 39 -13.436 -0.037 -2.302 1.00 3.25 C ATOM 613 CE LYS A 39 -13.477 1.499 -2.210 1.00 5.15 C ATOM 614 NZ LYS A 39 -13.632 1.951 -0.794 1.00 6.65 N ATOM 0 H LYS A 39 -8.668 1.767 -2.010 1.00 1.24 H new ATOM 0 HA LYS A 39 -10.919 1.027 -0.190 1.00 1.25 H new ATOM 0 HB2 LYS A 39 -11.058 0.448 -2.913 1.00 1.42 H new ATOM 0 HB3 LYS A 39 -10.299 -0.998 -2.276 1.00 1.42 H new ATOM 0 HG2 LYS A 39 -12.321 -1.704 -1.474 1.00 2.10 H new ATOM 0 HG3 LYS A 39 -12.388 -0.305 -0.421 1.00 2.10 H new ATOM 0 HD2 LYS A 39 -13.318 -0.339 -3.343 1.00 3.25 H new ATOM 0 HD3 LYS A 39 -14.383 -0.450 -1.955 1.00 3.25 H new ATOM 0 HE2 LYS A 39 -12.561 1.916 -2.629 1.00 5.15 H new ATOM 0 HE3 LYS A 39 -14.304 1.880 -2.809 1.00 5.15 H new ATOM 0 HZ1 LYS A 39 -14.232 2.800 -0.764 1.00 6.65 H new ATOM 0 HZ2 LYS A 39 -14.075 1.194 -0.235 1.00 6.65 H new ATOM 0 HZ3 LYS A 39 -12.697 2.174 -0.396 1.00 6.65 H new ATOM 628 N PRO A 40 -9.358 -0.599 0.970 1.00 1.25 N ATOM 629 CA PRO A 40 -10.357 -0.011 1.889 1.00 1.47 C ATOM 630 C PRO A 40 -10.192 1.506 1.962 1.00 1.77 C ATOM 631 O PRO A 40 -9.102 2.029 1.833 1.00 2.86 O ATOM 632 CB PRO A 40 -10.095 -0.676 3.249 1.00 2.07 C ATOM 633 CG PRO A 40 -8.823 -1.540 3.084 1.00 2.24 C ATOM 634 CD PRO A 40 -8.591 -1.710 1.572 1.00 1.58 C ATOM 0 HA PRO A 40 -11.380 -0.185 1.555 1.00 1.47 H new ATOM 0 HB2 PRO A 40 -9.954 0.075 4.026 1.00 2.07 H new ATOM 0 HB3 PRO A 40 -10.944 -1.290 3.549 1.00 2.07 H new ATOM 0 HG2 PRO A 40 -7.966 -1.059 3.555 1.00 2.24 H new ATOM 0 HG3 PRO A 40 -8.949 -2.509 3.567 1.00 2.24 H new ATOM 0 HD2 PRO A 40 -7.532 -1.648 1.320 1.00 1.58 H new ATOM 0 HD3 PRO A 40 -8.946 -2.678 1.219 1.00 1.58 H new ATOM 642 N ASP A 41 -11.286 2.159 2.197 1.00 1.89 N ATOM 643 CA ASP A 41 -11.305 3.647 2.278 1.00 2.57 C ATOM 644 C ASP A 41 -10.305 4.180 3.303 1.00 2.14 C ATOM 645 O ASP A 41 -9.958 5.346 3.273 1.00 2.68 O ATOM 646 CB ASP A 41 -12.734 4.039 2.636 1.00 3.58 C ATOM 647 CG ASP A 41 -13.649 3.399 1.594 1.00 4.95 C ATOM 648 OD1 ASP A 41 -14.008 2.250 1.813 1.00 5.42 O ATOM 649 OD2 ASP A 41 -13.860 4.043 0.582 1.00 6.23 O ATOM 0 H ASP A 41 -12.194 1.717 2.341 1.00 1.89 H new ATOM 0 HA ASP A 41 -11.003 4.085 1.327 1.00 2.57 H new ATOM 0 HB2 ASP A 41 -12.989 3.693 3.638 1.00 3.58 H new ATOM 0 HB3 ASP A 41 -12.848 5.123 2.635 1.00 3.58 H new ATOM 654 N SER A 42 -9.896 3.328 4.206 1.00 1.75 N ATOM 655 CA SER A 42 -8.914 3.751 5.240 1.00 1.59 C ATOM 656 C SER A 42 -7.885 2.647 5.486 1.00 1.47 C ATOM 657 O SER A 42 -8.069 1.507 5.099 1.00 2.20 O ATOM 658 CB SER A 42 -9.651 4.047 6.551 1.00 1.82 C ATOM 659 OG SER A 42 -8.615 4.325 7.492 1.00 2.40 O ATOM 0 H SER A 42 -10.202 2.357 4.270 1.00 1.75 H new ATOM 0 HA SER A 42 -8.400 4.645 4.887 1.00 1.59 H new ATOM 0 HB2 SER A 42 -10.327 4.896 6.443 1.00 1.82 H new ATOM 0 HB3 SER A 42 -10.255 3.197 6.867 1.00 1.82 H new ATOM 0 HG SER A 42 -8.163 5.159 7.245 1.00 2.40 H new ATOM 665 N VAL A 43 -6.840 3.024 6.165 1.00 1.17 N ATOM 666 CA VAL A 43 -5.764 2.047 6.505 1.00 1.05 C ATOM 667 C VAL A 43 -5.808 1.803 8.013 1.00 1.11 C ATOM 668 O VAL A 43 -5.419 0.757 8.488 1.00 1.50 O ATOM 669 CB VAL A 43 -4.386 2.619 6.108 1.00 1.17 C ATOM 670 CG1 VAL A 43 -4.010 3.803 7.017 1.00 1.58 C ATOM 671 CG2 VAL A 43 -3.317 1.526 6.246 1.00 1.48 C ATOM 0 H VAL A 43 -6.682 3.973 6.503 1.00 1.17 H new ATOM 0 HA VAL A 43 -5.918 1.114 5.964 1.00 1.05 H new ATOM 0 HB VAL A 43 -4.439 2.964 5.075 1.00 1.17 H new ATOM 0 HG11 VAL A 43 -3.036 4.193 6.722 1.00 1.58 H new ATOM 0 HG12 VAL A 43 -4.760 4.588 6.920 1.00 1.58 H new ATOM 0 HG13 VAL A 43 -3.968 3.467 8.053 1.00 1.58 H new ATOM 0 HG21 VAL A 43 -2.345 1.931 5.966 1.00 1.48 H new ATOM 0 HG22 VAL A 43 -3.282 1.180 7.279 1.00 1.48 H new ATOM 0 HG23 VAL A 43 -3.565 0.690 5.592 1.00 1.48 H new ATOM 681 N THR A 44 -6.283 2.806 8.715 1.00 1.35 N ATOM 682 CA THR A 44 -6.385 2.767 10.213 1.00 1.62 C ATOM 683 C THR A 44 -6.393 1.351 10.788 1.00 1.65 C ATOM 684 O THR A 44 -5.573 1.038 11.630 1.00 2.40 O ATOM 685 CB THR A 44 -7.647 3.525 10.640 1.00 1.84 C ATOM 686 OG1 THR A 44 -8.715 3.019 9.841 1.00 1.82 O ATOM 687 CG2 THR A 44 -7.529 5.001 10.261 1.00 2.66 C ATOM 0 H THR A 44 -6.614 3.677 8.299 1.00 1.35 H new ATOM 0 HA THR A 44 -5.491 3.244 10.615 1.00 1.62 H new ATOM 0 HB THR A 44 -7.797 3.410 11.713 1.00 1.84 H new ATOM 0 HG1 THR A 44 -8.716 3.471 8.972 1.00 1.82 H new ATOM 0 HG21 THR A 44 -8.431 5.529 10.569 1.00 2.66 H new ATOM 0 HG22 THR A 44 -6.664 5.437 10.761 1.00 2.66 H new ATOM 0 HG23 THR A 44 -7.407 5.091 9.182 1.00 2.66 H new ATOM 695 N GLN A 45 -7.329 0.547 10.355 1.00 1.45 N ATOM 696 CA GLN A 45 -7.387 -0.852 10.871 1.00 2.07 C ATOM 697 C GLN A 45 -7.377 -1.870 9.727 1.00 1.74 C ATOM 698 O GLN A 45 -8.194 -2.769 9.690 1.00 2.05 O ATOM 699 CB GLN A 45 -8.651 -1.037 11.733 1.00 2.91 C ATOM 700 CG GLN A 45 -8.521 -0.233 13.036 1.00 4.14 C ATOM 701 CD GLN A 45 -7.322 -0.745 13.844 1.00 6.04 C ATOM 702 OE1 GLN A 45 -7.330 -1.837 14.381 1.00 6.85 O ATOM 703 NE2 GLN A 45 -6.263 0.000 13.930 1.00 7.38 N ATOM 0 H GLN A 45 -8.047 0.795 9.675 1.00 1.45 H new ATOM 0 HA GLN A 45 -6.501 -1.027 11.481 1.00 2.07 H new ATOM 0 HB2 GLN A 45 -9.530 -0.708 11.179 1.00 2.91 H new ATOM 0 HB3 GLN A 45 -8.795 -2.093 11.961 1.00 2.91 H new ATOM 0 HG2 GLN A 45 -8.394 0.826 12.810 1.00 4.14 H new ATOM 0 HG3 GLN A 45 -9.434 -0.326 13.624 1.00 4.14 H new ATOM 0 HE21 GLN A 45 -6.247 0.917 13.483 1.00 7.38 H new ATOM 0 HE22 GLN A 45 -5.447 -0.331 14.444 1.00 7.38 H new ATOM 712 N ILE A 46 -6.441 -1.735 8.826 1.00 1.42 N ATOM 713 CA ILE A 46 -6.379 -2.730 7.716 1.00 1.22 C ATOM 714 C ILE A 46 -5.833 -4.016 8.340 1.00 1.16 C ATOM 715 O ILE A 46 -5.085 -3.938 9.292 1.00 1.23 O ATOM 716 CB ILE A 46 -5.449 -2.217 6.596 1.00 1.11 C ATOM 717 CG1 ILE A 46 -5.270 -3.281 5.498 1.00 2.13 C ATOM 718 CG2 ILE A 46 -4.074 -1.867 7.167 1.00 2.42 C ATOM 719 CD1 ILE A 46 -6.580 -3.484 4.731 1.00 2.28 C ATOM 0 H ILE A 46 -5.734 -1.000 8.808 1.00 1.42 H new ATOM 0 HA ILE A 46 -7.356 -2.899 7.262 1.00 1.22 H new ATOM 0 HB ILE A 46 -5.910 -1.329 6.165 1.00 1.11 H new ATOM 0 HG12 ILE A 46 -4.483 -2.973 4.810 1.00 2.13 H new ATOM 0 HG13 ILE A 46 -4.953 -4.223 5.945 1.00 2.13 H new ATOM 0 HG21 ILE A 46 -3.428 -1.507 6.366 1.00 2.42 H new ATOM 0 HG22 ILE A 46 -4.181 -1.090 7.924 1.00 2.42 H new ATOM 0 HG23 ILE A 46 -3.631 -2.755 7.619 1.00 2.42 H new ATOM 0 HD11 ILE A 46 -6.436 -4.239 3.958 1.00 2.28 H new ATOM 0 HD12 ILE A 46 -7.358 -3.813 5.420 1.00 2.28 H new ATOM 0 HD13 ILE A 46 -6.880 -2.544 4.268 1.00 2.28 H new ATOM 731 N LYS A 47 -6.220 -5.159 7.829 1.00 1.13 N ATOM 732 CA LYS A 47 -5.714 -6.446 8.417 1.00 1.16 C ATOM 733 C LYS A 47 -5.218 -7.375 7.290 1.00 1.04 C ATOM 734 O LYS A 47 -5.308 -7.023 6.127 1.00 1.09 O ATOM 735 CB LYS A 47 -6.852 -7.109 9.229 1.00 1.38 C ATOM 736 CG LYS A 47 -6.509 -7.194 10.742 1.00 2.66 C ATOM 737 CD LYS A 47 -6.303 -5.798 11.366 1.00 3.89 C ATOM 738 CE LYS A 47 -4.801 -5.498 11.580 1.00 5.65 C ATOM 739 NZ LYS A 47 -4.117 -6.586 12.334 1.00 6.48 N ATOM 0 H LYS A 47 -6.857 -5.260 7.039 1.00 1.13 H new ATOM 0 HA LYS A 47 -4.875 -6.251 9.085 1.00 1.16 H new ATOM 0 HB2 LYS A 47 -7.772 -6.540 9.097 1.00 1.38 H new ATOM 0 HB3 LYS A 47 -7.038 -8.111 8.842 1.00 1.38 H new ATOM 0 HG2 LYS A 47 -7.312 -7.711 11.267 1.00 2.66 H new ATOM 0 HG3 LYS A 47 -5.605 -7.788 10.876 1.00 2.66 H new ATOM 0 HD2 LYS A 47 -6.740 -5.039 10.717 1.00 3.89 H new ATOM 0 HD3 LYS A 47 -6.827 -5.742 12.320 1.00 3.89 H new ATOM 0 HE2 LYS A 47 -4.316 -5.367 10.613 1.00 5.65 H new ATOM 0 HE3 LYS A 47 -4.692 -4.558 12.121 1.00 5.65 H new ATOM 0 HZ1 LYS A 47 -3.353 -6.181 12.911 1.00 6.48 H new ATOM 0 HZ2 LYS A 47 -4.803 -7.063 12.953 1.00 6.48 H new ATOM 0 HZ3 LYS A 47 -3.718 -7.274 11.664 1.00 6.48 H new ATOM 753 N PRO A 48 -4.658 -8.514 7.658 1.00 1.08 N ATOM 754 CA PRO A 48 -4.246 -9.550 6.675 1.00 1.19 C ATOM 755 C PRO A 48 -5.448 -10.135 5.938 1.00 1.14 C ATOM 756 O PRO A 48 -6.542 -10.145 6.475 1.00 1.05 O ATOM 757 CB PRO A 48 -3.546 -10.617 7.524 1.00 1.38 C ATOM 758 CG PRO A 48 -3.192 -9.927 8.856 1.00 1.43 C ATOM 759 CD PRO A 48 -4.252 -8.840 9.046 1.00 1.22 C ATOM 0 HA PRO A 48 -3.600 -9.144 5.897 1.00 1.19 H new ATOM 0 HB2 PRO A 48 -4.198 -11.475 7.689 1.00 1.38 H new ATOM 0 HB3 PRO A 48 -2.650 -10.988 7.026 1.00 1.38 H new ATOM 0 HG2 PRO A 48 -3.206 -10.638 9.682 1.00 1.43 H new ATOM 0 HG3 PRO A 48 -2.191 -9.497 8.822 1.00 1.43 H new ATOM 0 HD2 PRO A 48 -5.094 -9.198 9.638 1.00 1.22 H new ATOM 0 HD3 PRO A 48 -3.847 -7.969 9.562 1.00 1.22 H new ATOM 767 N HIS A 49 -5.193 -10.618 4.742 1.00 1.45 N ATOM 768 CA HIS A 49 -6.271 -11.230 3.882 1.00 1.64 C ATOM 769 C HIS A 49 -7.039 -10.124 3.154 1.00 1.66 C ATOM 770 O HIS A 49 -8.207 -10.259 2.848 1.00 2.02 O ATOM 771 CB HIS A 49 -7.268 -12.067 4.713 1.00 2.03 C ATOM 772 CG HIS A 49 -6.609 -13.083 5.647 1.00 1.73 C ATOM 773 ND1 HIS A 49 -5.757 -13.964 5.202 1.00 2.35 N ATOM 774 CD2 HIS A 49 -6.738 -13.308 6.993 1.00 2.13 C ATOM 775 CE1 HIS A 49 -5.365 -14.715 6.207 1.00 2.60 C ATOM 776 NE2 HIS A 49 -5.968 -14.309 7.295 1.00 2.15 N ATOM 0 H HIS A 49 -4.267 -10.615 4.315 1.00 1.45 H new ATOM 0 HA HIS A 49 -5.782 -11.892 3.167 1.00 1.64 H new ATOM 0 HB2 HIS A 49 -7.885 -11.392 5.306 1.00 2.03 H new ATOM 0 HB3 HIS A 49 -7.936 -12.596 4.033 1.00 2.03 H new ATOM 0 HD2 HIS A 49 -7.365 -12.755 7.677 1.00 2.13 H new ATOM 0 HE1 HIS A 49 -4.662 -15.532 6.145 1.00 2.60 H new ATOM 0 HE2 HIS A 49 -5.852 -14.712 8.225 1.00 2.15 H new ATOM 784 N SER A 50 -6.360 -9.048 2.906 1.00 1.42 N ATOM 785 CA SER A 50 -6.981 -7.895 2.193 1.00 1.63 C ATOM 786 C SER A 50 -5.882 -7.174 1.412 1.00 1.60 C ATOM 787 O SER A 50 -4.726 -7.551 1.490 1.00 2.13 O ATOM 788 CB SER A 50 -7.623 -6.943 3.214 1.00 1.56 C ATOM 789 OG SER A 50 -8.712 -7.677 3.775 1.00 2.16 O ATOM 0 H SER A 50 -5.384 -8.911 3.169 1.00 1.42 H new ATOM 0 HA SER A 50 -7.757 -8.239 1.509 1.00 1.63 H new ATOM 0 HB2 SER A 50 -6.908 -6.649 3.983 1.00 1.56 H new ATOM 0 HB3 SER A 50 -7.970 -6.027 2.735 1.00 1.56 H new ATOM 0 HG SER A 50 -9.170 -7.124 4.442 1.00 2.16 H new ATOM 795 N THR A 51 -6.244 -6.192 0.643 1.00 1.73 N ATOM 796 CA THR A 51 -5.210 -5.438 -0.123 1.00 1.93 C ATOM 797 C THR A 51 -5.547 -3.962 -0.056 1.00 1.95 C ATOM 798 O THR A 51 -6.638 -3.612 0.360 1.00 2.02 O ATOM 799 CB THR A 51 -5.171 -5.913 -1.588 1.00 2.55 C ATOM 800 OG1 THR A 51 -4.275 -5.024 -2.241 1.00 4.88 O ATOM 801 CG2 THR A 51 -6.495 -5.721 -2.325 1.00 2.78 C ATOM 0 H THR A 51 -7.205 -5.877 0.509 1.00 1.73 H new ATOM 0 HA THR A 51 -4.226 -5.615 0.311 1.00 1.93 H new ATOM 0 HB THR A 51 -4.910 -6.971 -1.597 1.00 2.55 H new ATOM 0 HG1 THR A 51 -3.688 -5.532 -2.839 1.00 4.88 H new ATOM 0 HG21 THR A 51 -6.395 -6.077 -3.351 1.00 2.78 H new ATOM 0 HG22 THR A 51 -7.278 -6.286 -1.819 1.00 2.78 H new ATOM 0 HG23 THR A 51 -6.758 -4.663 -2.332 1.00 2.78 H new ATOM 809 N VAL A 52 -4.613 -3.147 -0.443 1.00 1.95 N ATOM 810 CA VAL A 52 -4.867 -1.688 -0.418 1.00 2.00 C ATOM 811 C VAL A 52 -4.738 -1.189 -1.855 1.00 1.88 C ATOM 812 O VAL A 52 -3.750 -1.454 -2.529 1.00 2.09 O ATOM 813 CB VAL A 52 -3.870 -1.003 0.535 1.00 2.14 C ATOM 814 CG1 VAL A 52 -4.175 0.497 0.623 1.00 3.07 C ATOM 815 CG2 VAL A 52 -4.016 -1.612 1.939 1.00 1.79 C ATOM 0 H VAL A 52 -3.690 -3.427 -0.774 1.00 1.95 H new ATOM 0 HA VAL A 52 -5.863 -1.453 -0.044 1.00 2.00 H new ATOM 0 HB VAL A 52 -2.858 -1.151 0.157 1.00 2.14 H new ATOM 0 HG11 VAL A 52 -3.465 0.974 1.299 1.00 3.07 H new ATOM 0 HG12 VAL A 52 -4.089 0.944 -0.367 1.00 3.07 H new ATOM 0 HG13 VAL A 52 -5.188 0.641 1.000 1.00 3.07 H new ATOM 0 HG21 VAL A 52 -3.313 -1.131 2.619 1.00 1.79 H new ATOM 0 HG22 VAL A 52 -5.033 -1.456 2.299 1.00 1.79 H new ATOM 0 HG23 VAL A 52 -3.806 -2.681 1.896 1.00 1.79 H new ATOM 825 N ASP A 53 -5.765 -0.503 -2.275 1.00 1.55 N ATOM 826 CA ASP A 53 -5.823 0.044 -3.654 1.00 1.45 C ATOM 827 C ASP A 53 -5.625 1.564 -3.575 1.00 1.43 C ATOM 828 O ASP A 53 -6.549 2.319 -3.280 1.00 1.54 O ATOM 829 CB ASP A 53 -7.195 -0.296 -4.274 1.00 1.42 C ATOM 830 CG ASP A 53 -7.602 -1.759 -4.013 1.00 1.66 C ATOM 831 OD1 ASP A 53 -6.721 -2.551 -3.724 1.00 2.82 O ATOM 832 OD2 ASP A 53 -8.789 -2.021 -4.191 1.00 2.46 O ATOM 0 H ASP A 53 -6.584 -0.296 -1.704 1.00 1.55 H new ATOM 0 HA ASP A 53 -5.043 -0.390 -4.280 1.00 1.45 H new ATOM 0 HB2 ASP A 53 -7.953 0.370 -3.862 1.00 1.42 H new ATOM 0 HB3 ASP A 53 -7.162 -0.116 -5.348 1.00 1.42 H new ATOM 837 N PHE A 54 -4.400 1.957 -3.823 1.00 1.56 N ATOM 838 CA PHE A 54 -4.017 3.405 -3.769 1.00 1.64 C ATOM 839 C PHE A 54 -4.845 4.267 -4.727 1.00 1.75 C ATOM 840 O PHE A 54 -5.210 5.380 -4.395 1.00 3.81 O ATOM 841 CB PHE A 54 -2.539 3.531 -4.152 1.00 2.14 C ATOM 842 CG PHE A 54 -1.604 2.862 -3.119 1.00 1.54 C ATOM 843 CD1 PHE A 54 -1.911 2.827 -1.763 1.00 2.48 C ATOM 844 CD2 PHE A 54 -0.367 2.384 -3.530 1.00 1.72 C ATOM 845 CE1 PHE A 54 -0.993 2.344 -0.848 1.00 3.07 C ATOM 846 CE2 PHE A 54 0.549 1.907 -2.612 1.00 1.98 C ATOM 847 CZ PHE A 54 0.237 1.890 -1.270 1.00 2.56 C ATOM 0 H PHE A 54 -3.636 1.326 -4.065 1.00 1.56 H new ATOM 0 HA PHE A 54 -4.204 3.762 -2.756 1.00 1.64 H new ATOM 0 HB2 PHE A 54 -2.380 3.077 -5.130 1.00 2.14 H new ATOM 0 HB3 PHE A 54 -2.279 4.585 -4.244 1.00 2.14 H new ATOM 0 HD1 PHE A 54 -2.873 3.180 -1.422 1.00 2.48 H new ATOM 0 HD2 PHE A 54 -0.117 2.385 -4.581 1.00 1.72 H new ATOM 0 HE1 PHE A 54 -1.242 2.323 0.203 1.00 3.07 H new ATOM 0 HE2 PHE A 54 1.511 1.547 -2.947 1.00 1.98 H new ATOM 0 HZ PHE A 54 0.954 1.522 -0.552 1.00 2.56 H new ATOM 857 N ARG A 55 -5.029 3.722 -5.909 1.00 1.35 N ATOM 858 CA ARG A 55 -5.803 4.346 -7.047 1.00 2.10 C ATOM 859 C ARG A 55 -4.807 4.640 -8.183 1.00 2.54 C ATOM 860 O ARG A 55 -3.847 3.905 -8.340 1.00 3.37 O ATOM 861 CB ARG A 55 -6.557 5.632 -6.630 1.00 2.43 C ATOM 862 CG ARG A 55 -7.764 5.857 -7.563 1.00 3.57 C ATOM 863 CD ARG A 55 -8.838 4.787 -7.301 1.00 4.82 C ATOM 864 NE ARG A 55 -9.259 4.196 -8.613 1.00 6.06 N ATOM 865 CZ ARG A 55 -10.479 4.385 -9.045 1.00 7.39 C ATOM 866 NH1 ARG A 55 -11.460 3.764 -8.451 1.00 8.43 N ATOM 867 NH2 ARG A 55 -10.666 5.194 -10.051 1.00 7.97 N ATOM 0 H ARG A 55 -4.648 2.807 -6.148 1.00 1.35 H new ATOM 0 HA ARG A 55 -6.574 3.648 -7.373 1.00 2.10 H new ATOM 0 HB2 ARG A 55 -6.895 5.547 -5.597 1.00 2.43 H new ATOM 0 HB3 ARG A 55 -5.885 6.489 -6.676 1.00 2.43 H new ATOM 0 HG2 ARG A 55 -8.181 6.851 -7.399 1.00 3.57 H new ATOM 0 HG3 ARG A 55 -7.443 5.814 -8.604 1.00 3.57 H new ATOM 0 HD2 ARG A 55 -8.445 4.010 -6.645 1.00 4.82 H new ATOM 0 HD3 ARG A 55 -9.695 5.229 -6.793 1.00 4.82 H new ATOM 0 HE ARG A 55 -8.598 3.650 -9.165 1.00 6.06 H new ATOM 0 HH11 ARG A 55 -11.269 3.144 -7.664 1.00 8.43 H new ATOM 0 HH12 ARG A 55 -12.418 3.899 -8.773 1.00 8.43 H new ATOM 0 HH21 ARG A 55 -9.870 5.663 -10.483 1.00 7.97 H new ATOM 0 HH22 ARG A 55 -11.608 5.357 -10.406 1.00 7.97 H new ATOM 881 N VAL A 56 -5.056 5.666 -8.974 1.00 2.97 N ATOM 882 CA VAL A 56 -4.146 6.004 -10.084 1.00 3.61 C ATOM 883 C VAL A 56 -3.350 7.275 -9.737 1.00 2.49 C ATOM 884 O VAL A 56 -3.925 8.301 -9.432 1.00 3.04 O ATOM 885 CB VAL A 56 -5.005 6.230 -11.350 1.00 5.42 C ATOM 886 CG1 VAL A 56 -6.111 5.166 -11.491 1.00 7.17 C ATOM 887 CG2 VAL A 56 -5.676 7.614 -11.364 1.00 6.22 C ATOM 0 H VAL A 56 -5.865 6.280 -8.882 1.00 2.97 H new ATOM 0 HA VAL A 56 -3.434 5.197 -10.257 1.00 3.61 H new ATOM 0 HB VAL A 56 -4.309 6.156 -12.185 1.00 5.42 H new ATOM 0 HG11 VAL A 56 -6.691 5.361 -12.393 1.00 7.17 H new ATOM 0 HG12 VAL A 56 -5.658 4.177 -11.558 1.00 7.17 H new ATOM 0 HG13 VAL A 56 -6.767 5.206 -10.622 1.00 7.17 H new ATOM 0 HG21 VAL A 56 -6.267 7.723 -12.273 1.00 6.22 H new ATOM 0 HG22 VAL A 56 -6.326 7.712 -10.495 1.00 6.22 H new ATOM 0 HG23 VAL A 56 -4.911 8.390 -11.334 1.00 6.22 H new ATOM 897 N LYS A 57 -2.053 7.167 -9.744 1.00 2.11 N ATOM 898 CA LYS A 57 -1.185 8.352 -9.431 1.00 1.66 C ATOM 899 C LYS A 57 -0.087 8.415 -10.491 1.00 1.71 C ATOM 900 O LYS A 57 0.179 7.405 -11.113 1.00 2.83 O ATOM 901 CB LYS A 57 -0.573 8.183 -8.029 1.00 2.82 C ATOM 902 CG LYS A 57 -1.635 8.466 -6.948 1.00 3.43 C ATOM 903 CD LYS A 57 -2.090 9.940 -6.993 1.00 3.23 C ATOM 904 CE LYS A 57 -1.522 10.713 -5.799 1.00 3.83 C ATOM 905 NZ LYS A 57 -0.057 10.489 -5.689 1.00 4.32 N ATOM 0 H LYS A 57 -1.546 6.307 -9.953 1.00 2.11 H new ATOM 0 HA LYS A 57 -1.765 9.275 -9.440 1.00 1.66 H new ATOM 0 HB2 LYS A 57 -0.186 7.171 -7.913 1.00 2.82 H new ATOM 0 HB3 LYS A 57 0.270 8.863 -7.908 1.00 2.82 H new ATOM 0 HG2 LYS A 57 -2.494 7.812 -7.097 1.00 3.43 H new ATOM 0 HG3 LYS A 57 -1.227 8.237 -5.963 1.00 3.43 H new ATOM 0 HD2 LYS A 57 -1.758 10.401 -7.923 1.00 3.23 H new ATOM 0 HD3 LYS A 57 -3.179 9.991 -6.982 1.00 3.23 H new ATOM 0 HE2 LYS A 57 -1.726 11.777 -5.916 1.00 3.83 H new ATOM 0 HE3 LYS A 57 -2.016 10.393 -4.882 1.00 3.83 H new ATOM 0 HZ1 LYS A 57 0.401 11.353 -5.333 1.00 4.32 H new ATOM 0 HZ2 LYS A 57 0.126 9.704 -5.031 1.00 4.32 H new ATOM 0 HZ3 LYS A 57 0.329 10.253 -6.625 1.00 4.32 H new ATOM 919 N ALA A 58 0.518 9.559 -10.711 1.00 1.39 N ATOM 920 CA ALA A 58 1.582 9.602 -11.774 1.00 1.54 C ATOM 921 C ALA A 58 2.776 10.474 -11.399 1.00 1.68 C ATOM 922 O ALA A 58 3.670 10.663 -12.198 1.00 2.45 O ATOM 923 CB ALA A 58 0.972 10.164 -13.051 1.00 1.93 C ATOM 0 H ALA A 58 0.334 10.436 -10.223 1.00 1.39 H new ATOM 0 HA ALA A 58 1.945 8.582 -11.901 1.00 1.54 H new ATOM 0 HB1 ALA A 58 1.732 10.201 -13.831 1.00 1.93 H new ATOM 0 HB2 ALA A 58 0.151 9.524 -13.374 1.00 1.93 H new ATOM 0 HB3 ALA A 58 0.596 11.170 -12.863 1.00 1.93 H new ATOM 929 N GLU A 59 2.784 10.939 -10.198 1.00 1.87 N ATOM 930 CA GLU A 59 3.893 11.830 -9.740 1.00 2.14 C ATOM 931 C GLU A 59 4.763 11.160 -8.673 1.00 1.84 C ATOM 932 O GLU A 59 5.967 11.333 -8.670 1.00 2.27 O ATOM 933 CB GLU A 59 3.296 13.151 -9.201 1.00 2.64 C ATOM 934 CG GLU A 59 2.246 12.910 -8.092 1.00 3.18 C ATOM 935 CD GLU A 59 1.032 12.158 -8.650 1.00 3.65 C ATOM 936 OE1 GLU A 59 0.421 12.681 -9.560 1.00 4.02 O ATOM 937 OE2 GLU A 59 0.810 11.060 -8.171 1.00 4.43 O ATOM 0 H GLU A 59 2.069 10.746 -9.497 1.00 1.87 H new ATOM 0 HA GLU A 59 4.539 12.037 -10.593 1.00 2.14 H new ATOM 0 HB2 GLU A 59 4.098 13.777 -8.809 1.00 2.64 H new ATOM 0 HB3 GLU A 59 2.835 13.701 -10.022 1.00 2.64 H new ATOM 0 HG2 GLU A 59 2.693 12.337 -7.279 1.00 3.18 H new ATOM 0 HG3 GLU A 59 1.928 13.864 -7.672 1.00 3.18 H new ATOM 944 N ASP A 60 4.150 10.396 -7.808 1.00 1.75 N ATOM 945 CA ASP A 60 4.930 9.714 -6.723 1.00 2.03 C ATOM 946 C ASP A 60 4.955 8.196 -6.889 1.00 1.76 C ATOM 947 O ASP A 60 5.578 7.486 -6.106 1.00 2.10 O ATOM 948 CB ASP A 60 4.286 10.059 -5.382 1.00 2.78 C ATOM 949 CG ASP A 60 2.770 10.171 -5.555 1.00 3.86 C ATOM 950 OD1 ASP A 60 2.195 9.266 -6.153 1.00 4.60 O ATOM 951 OD2 ASP A 60 2.263 11.173 -5.085 1.00 4.66 O ATOM 0 H ASP A 60 3.147 10.213 -7.802 1.00 1.75 H new ATOM 0 HA ASP A 60 5.961 10.063 -6.775 1.00 2.03 H new ATOM 0 HB2 ASP A 60 4.522 9.291 -4.645 1.00 2.78 H new ATOM 0 HB3 ASP A 60 4.690 10.998 -5.004 1.00 2.78 H new ATOM 956 N ILE A 61 4.319 7.718 -7.914 1.00 1.37 N ATOM 957 CA ILE A 61 4.269 6.308 -8.176 1.00 1.23 C ATOM 958 C ILE A 61 5.679 5.714 -8.194 1.00 1.01 C ATOM 959 O ILE A 61 5.876 4.582 -7.868 1.00 1.59 O ATOM 960 CB ILE A 61 3.594 6.188 -9.531 1.00 1.43 C ATOM 961 CG1 ILE A 61 3.784 7.439 -10.406 1.00 1.88 C ATOM 962 CG2 ILE A 61 2.100 5.880 -9.351 1.00 2.88 C ATOM 963 CD1 ILE A 61 3.684 7.025 -11.875 1.00 2.66 C ATOM 0 H ILE A 61 3.820 8.292 -8.594 1.00 1.37 H new ATOM 0 HA ILE A 61 3.724 5.759 -7.408 1.00 1.23 H new ATOM 0 HB ILE A 61 4.076 5.364 -10.056 1.00 1.43 H new ATOM 0 HG12 ILE A 61 3.025 8.185 -10.170 1.00 1.88 H new ATOM 0 HG13 ILE A 61 4.753 7.897 -10.207 1.00 1.88 H new ATOM 0 HG21 ILE A 61 1.625 5.796 -10.329 1.00 2.88 H new ATOM 0 HG22 ILE A 61 1.985 4.941 -8.810 1.00 2.88 H new ATOM 0 HG23 ILE A 61 1.628 6.684 -8.787 1.00 2.88 H new ATOM 0 HD11 ILE A 61 3.817 7.901 -12.510 1.00 2.66 H new ATOM 0 HD12 ILE A 61 4.460 6.293 -12.100 1.00 2.66 H new ATOM 0 HD13 ILE A 61 2.704 6.585 -12.063 1.00 2.66 H new ATOM 975 N LEU A 62 6.643 6.501 -8.553 1.00 1.18 N ATOM 976 CA LEU A 62 8.036 5.970 -8.598 1.00 1.12 C ATOM 977 C LEU A 62 8.518 5.494 -7.231 1.00 0.93 C ATOM 978 O LEU A 62 9.203 4.497 -7.141 1.00 1.17 O ATOM 979 CB LEU A 62 8.952 7.088 -9.119 1.00 1.46 C ATOM 980 CG LEU A 62 10.428 6.648 -9.166 1.00 2.30 C ATOM 981 CD1 LEU A 62 10.629 5.599 -10.270 1.00 2.62 C ATOM 982 CD2 LEU A 62 11.296 7.875 -9.462 1.00 3.42 C ATOM 0 H LEU A 62 6.536 7.481 -8.816 1.00 1.18 H new ATOM 0 HA LEU A 62 8.061 5.103 -9.258 1.00 1.12 H new ATOM 0 HB2 LEU A 62 8.630 7.385 -10.117 1.00 1.46 H new ATOM 0 HB3 LEU A 62 8.855 7.965 -8.479 1.00 1.46 H new ATOM 0 HG LEU A 62 10.711 6.210 -8.209 1.00 2.30 H new ATOM 0 HD11 LEU A 62 11.675 5.294 -10.296 1.00 2.62 H new ATOM 0 HD12 LEU A 62 10.003 4.731 -10.065 1.00 2.62 H new ATOM 0 HD13 LEU A 62 10.352 6.027 -11.233 1.00 2.62 H new ATOM 0 HD21 LEU A 62 12.344 7.579 -9.498 1.00 3.42 H new ATOM 0 HD22 LEU A 62 11.006 8.303 -10.422 1.00 3.42 H new ATOM 0 HD23 LEU A 62 11.156 8.618 -8.677 1.00 3.42 H new ATOM 994 N ALA A 63 8.160 6.199 -6.195 1.00 0.97 N ATOM 995 CA ALA A 63 8.633 5.764 -4.848 1.00 0.98 C ATOM 996 C ALA A 63 7.610 4.831 -4.225 1.00 0.87 C ATOM 997 O ALA A 63 7.941 3.991 -3.409 1.00 1.12 O ATOM 998 CB ALA A 63 8.813 6.993 -3.962 1.00 1.37 C ATOM 0 H ALA A 63 7.577 7.035 -6.216 1.00 0.97 H new ATOM 0 HA ALA A 63 9.583 5.239 -4.944 1.00 0.98 H new ATOM 0 HB1 ALA A 63 9.159 6.683 -2.976 1.00 1.37 H new ATOM 0 HB2 ALA A 63 9.548 7.661 -4.411 1.00 1.37 H new ATOM 0 HB3 ALA A 63 7.861 7.515 -3.865 1.00 1.37 H new ATOM 1004 N VAL A 64 6.388 5.002 -4.640 1.00 0.85 N ATOM 1005 CA VAL A 64 5.295 4.147 -4.106 1.00 0.85 C ATOM 1006 C VAL A 64 5.376 2.772 -4.751 1.00 0.86 C ATOM 1007 O VAL A 64 5.303 1.775 -4.056 1.00 0.96 O ATOM 1008 CB VAL A 64 3.947 4.806 -4.434 1.00 1.08 C ATOM 1009 CG1 VAL A 64 2.794 3.930 -3.931 1.00 1.22 C ATOM 1010 CG2 VAL A 64 3.868 6.179 -3.755 1.00 1.36 C ATOM 0 H VAL A 64 6.099 5.698 -5.327 1.00 0.85 H new ATOM 0 HA VAL A 64 5.392 4.039 -3.026 1.00 0.85 H new ATOM 0 HB VAL A 64 3.866 4.922 -5.515 1.00 1.08 H new ATOM 0 HG11 VAL A 64 1.844 4.408 -4.169 1.00 1.22 H new ATOM 0 HG12 VAL A 64 2.841 2.954 -4.414 1.00 1.22 H new ATOM 0 HG13 VAL A 64 2.876 3.805 -2.851 1.00 1.22 H new ATOM 0 HG21 VAL A 64 2.911 6.646 -3.988 1.00 1.36 H new ATOM 0 HG22 VAL A 64 3.959 6.057 -2.676 1.00 1.36 H new ATOM 0 HG23 VAL A 64 4.678 6.811 -4.118 1.00 1.36 H new ATOM 1020 N GLU A 65 5.524 2.751 -6.057 1.00 0.94 N ATOM 1021 CA GLU A 65 5.618 1.443 -6.762 1.00 1.19 C ATOM 1022 C GLU A 65 6.907 0.775 -6.260 1.00 1.15 C ATOM 1023 O GLU A 65 6.891 -0.371 -5.854 1.00 1.29 O ATOM 1024 CB GLU A 65 5.652 1.662 -8.298 1.00 1.47 C ATOM 1025 CG GLU A 65 4.258 2.068 -8.843 1.00 1.84 C ATOM 1026 CD GLU A 65 4.298 2.187 -10.386 1.00 1.92 C ATOM 1027 OE1 GLU A 65 4.952 1.347 -10.977 1.00 2.21 O ATOM 1028 OE2 GLU A 65 3.636 3.084 -10.909 1.00 3.23 O ATOM 0 H GLU A 65 5.583 3.576 -6.654 1.00 0.94 H new ATOM 0 HA GLU A 65 4.755 0.810 -6.557 1.00 1.19 H new ATOM 0 HB2 GLU A 65 6.379 2.437 -8.540 1.00 1.47 H new ATOM 0 HB3 GLU A 65 5.985 0.748 -8.790 1.00 1.47 H new ATOM 0 HG2 GLU A 65 3.515 1.327 -8.548 1.00 1.84 H new ATOM 0 HG3 GLU A 65 3.952 3.018 -8.406 1.00 1.84 H new ATOM 1035 N ASP A 66 7.985 1.534 -6.267 1.00 1.07 N ATOM 1036 CA ASP A 66 9.290 0.994 -5.772 1.00 1.22 C ATOM 1037 C ASP A 66 9.136 0.456 -4.346 1.00 1.09 C ATOM 1038 O ASP A 66 9.462 -0.683 -4.071 1.00 1.20 O ATOM 1039 CB ASP A 66 10.333 2.115 -5.752 1.00 1.23 C ATOM 1040 CG ASP A 66 11.663 1.562 -5.237 1.00 1.73 C ATOM 1041 OD1 ASP A 66 12.030 0.491 -5.700 1.00 3.21 O ATOM 1042 OD2 ASP A 66 12.217 2.228 -4.385 1.00 1.73 O ATOM 0 H ASP A 66 8.013 2.500 -6.594 1.00 1.07 H new ATOM 0 HA ASP A 66 9.606 0.190 -6.437 1.00 1.22 H new ATOM 0 HB2 ASP A 66 10.461 2.526 -6.753 1.00 1.23 H new ATOM 0 HB3 ASP A 66 9.994 2.931 -5.114 1.00 1.23 H new ATOM 1047 N PHE A 67 8.679 1.313 -3.463 1.00 0.86 N ATOM 1048 CA PHE A 67 8.482 0.900 -2.038 1.00 0.80 C ATOM 1049 C PHE A 67 8.017 -0.559 -1.949 1.00 0.77 C ATOM 1050 O PHE A 67 8.658 -1.372 -1.315 1.00 1.01 O ATOM 1051 CB PHE A 67 7.444 1.818 -1.376 1.00 0.73 C ATOM 1052 CG PHE A 67 7.323 1.445 0.108 1.00 0.79 C ATOM 1053 CD1 PHE A 67 8.238 1.933 1.027 1.00 1.02 C ATOM 1054 CD2 PHE A 67 6.331 0.582 0.541 1.00 0.78 C ATOM 1055 CE1 PHE A 67 8.163 1.562 2.352 1.00 1.12 C ATOM 1056 CE2 PHE A 67 6.261 0.211 1.868 1.00 0.90 C ATOM 1057 CZ PHE A 67 7.173 0.699 2.772 1.00 1.03 C ATOM 0 H PHE A 67 8.434 2.281 -3.669 1.00 0.86 H new ATOM 0 HA PHE A 67 9.435 0.987 -1.517 1.00 0.80 H new ATOM 0 HB2 PHE A 67 7.743 2.861 -1.479 1.00 0.73 H new ATOM 0 HB3 PHE A 67 6.478 1.713 -1.871 1.00 0.73 H new ATOM 0 HD1 PHE A 67 9.015 2.609 0.703 1.00 1.02 H new ATOM 0 HD2 PHE A 67 5.608 0.197 -0.163 1.00 0.78 H new ATOM 0 HE1 PHE A 67 8.880 1.947 3.062 1.00 1.12 H new ATOM 0 HE2 PHE A 67 5.486 -0.466 2.197 1.00 0.90 H new ATOM 0 HZ PHE A 67 7.115 0.407 3.810 1.00 1.03 H new ATOM 1067 N LEU A 68 6.912 -0.848 -2.597 1.00 0.70 N ATOM 1068 CA LEU A 68 6.354 -2.253 -2.585 1.00 0.75 C ATOM 1069 C LEU A 68 7.447 -3.327 -2.672 1.00 0.85 C ATOM 1070 O LEU A 68 7.359 -4.363 -2.032 1.00 1.15 O ATOM 1071 CB LEU A 68 5.398 -2.440 -3.771 1.00 0.93 C ATOM 1072 CG LEU A 68 4.329 -1.336 -3.767 1.00 1.12 C ATOM 1073 CD1 LEU A 68 3.318 -1.611 -4.881 1.00 1.41 C ATOM 1074 CD2 LEU A 68 3.601 -1.300 -2.417 1.00 1.08 C ATOM 0 H LEU A 68 6.367 -0.175 -3.136 1.00 0.70 H new ATOM 0 HA LEU A 68 5.834 -2.375 -1.635 1.00 0.75 H new ATOM 0 HB2 LEU A 68 5.957 -2.412 -4.706 1.00 0.93 H new ATOM 0 HB3 LEU A 68 4.921 -3.419 -3.713 1.00 0.93 H new ATOM 0 HG LEU A 68 4.813 -0.373 -3.931 1.00 1.12 H new ATOM 0 HD11 LEU A 68 2.557 -0.831 -4.883 1.00 1.41 H new ATOM 0 HD12 LEU A 68 3.830 -1.620 -5.843 1.00 1.41 H new ATOM 0 HD13 LEU A 68 2.845 -2.578 -4.712 1.00 1.41 H new ATOM 0 HD21 LEU A 68 2.847 -0.513 -2.431 1.00 1.08 H new ATOM 0 HD22 LEU A 68 3.119 -2.261 -2.238 1.00 1.08 H new ATOM 0 HD23 LEU A 68 4.319 -1.101 -1.622 1.00 1.08 H new ATOM 1086 N GLU A 69 8.434 -3.052 -3.471 1.00 0.88 N ATOM 1087 CA GLU A 69 9.549 -4.014 -3.651 1.00 1.13 C ATOM 1088 C GLU A 69 10.580 -3.792 -2.549 1.00 1.11 C ATOM 1089 O GLU A 69 10.982 -4.717 -1.868 1.00 1.37 O ATOM 1090 CB GLU A 69 10.199 -3.748 -5.013 1.00 1.33 C ATOM 1091 CG GLU A 69 10.918 -5.019 -5.480 1.00 2.06 C ATOM 1092 CD GLU A 69 9.946 -5.924 -6.250 1.00 3.11 C ATOM 1093 OE1 GLU A 69 8.773 -5.907 -5.896 1.00 3.96 O ATOM 1094 OE2 GLU A 69 10.428 -6.585 -7.153 1.00 3.98 O ATOM 0 H GLU A 69 8.516 -2.192 -4.013 1.00 0.88 H new ATOM 0 HA GLU A 69 9.180 -5.039 -3.603 1.00 1.13 H new ATOM 0 HB2 GLU A 69 9.442 -3.455 -5.740 1.00 1.33 H new ATOM 0 HB3 GLU A 69 10.906 -2.922 -4.938 1.00 1.33 H new ATOM 0 HG2 GLU A 69 11.763 -4.755 -6.116 1.00 2.06 H new ATOM 0 HG3 GLU A 69 11.322 -5.554 -4.620 1.00 2.06 H new ATOM 1101 N GLN A 70 10.978 -2.552 -2.411 1.00 1.03 N ATOM 1102 CA GLN A 70 11.989 -2.176 -1.371 1.00 1.31 C ATOM 1103 C GLN A 70 11.851 -3.029 -0.111 1.00 1.40 C ATOM 1104 O GLN A 70 12.838 -3.475 0.442 1.00 1.67 O ATOM 1105 CB GLN A 70 11.814 -0.697 -0.992 1.00 1.55 C ATOM 1106 CG GLN A 70 12.076 0.192 -2.217 1.00 1.93 C ATOM 1107 CD GLN A 70 13.486 -0.074 -2.744 1.00 2.39 C ATOM 1108 OE1 GLN A 70 14.470 0.179 -2.079 1.00 2.85 O ATOM 1109 NE2 GLN A 70 13.632 -0.610 -3.916 1.00 3.45 N ATOM 0 H GLN A 70 10.643 -1.775 -2.980 1.00 1.03 H new ATOM 0 HA GLN A 70 12.978 -2.348 -1.795 1.00 1.31 H new ATOM 0 HB2 GLN A 70 10.805 -0.526 -0.617 1.00 1.55 H new ATOM 0 HB3 GLN A 70 12.502 -0.435 -0.188 1.00 1.55 H new ATOM 0 HG2 GLN A 70 11.340 -0.015 -2.994 1.00 1.93 H new ATOM 0 HG3 GLN A 70 11.969 1.243 -1.947 1.00 1.93 H new ATOM 0 HE21 GLN A 70 12.813 -0.827 -4.483 1.00 3.45 H new ATOM 0 HE22 GLN A 70 14.566 -0.815 -4.270 1.00 3.45 H new ATOM 1118 N ASN A 71 10.630 -3.205 0.333 1.00 1.26 N ATOM 1119 CA ASN A 71 10.412 -4.013 1.548 1.00 1.40 C ATOM 1120 C ASN A 71 9.610 -5.288 1.246 1.00 1.40 C ATOM 1121 O ASN A 71 8.580 -5.529 1.840 1.00 1.53 O ATOM 1122 CB ASN A 71 9.697 -3.142 2.586 1.00 1.45 C ATOM 1123 CG ASN A 71 8.305 -2.706 2.130 1.00 2.03 C ATOM 1124 OD1 ASN A 71 7.333 -2.951 2.791 1.00 3.89 O ATOM 1125 ND2 ASN A 71 8.153 -2.021 1.041 1.00 1.87 N ATOM 0 H ASN A 71 9.788 -2.823 -0.097 1.00 1.26 H new ATOM 0 HA ASN A 71 11.375 -4.341 1.940 1.00 1.40 H new ATOM 0 HB2 ASN A 71 9.612 -3.695 3.522 1.00 1.45 H new ATOM 0 HB3 ASN A 71 10.301 -2.258 2.791 1.00 1.45 H new ATOM 0 HD21 ASN A 71 7.224 -1.704 0.764 1.00 1.87 H new ATOM 0 HD22 ASN A 71 8.962 -1.799 0.461 1.00 1.87 H new ATOM 1132 N GLU A 72 10.120 -6.058 0.312 1.00 1.68 N ATOM 1133 CA GLU A 72 9.503 -7.364 -0.093 1.00 1.98 C ATOM 1134 C GLU A 72 8.034 -7.514 0.338 1.00 1.69 C ATOM 1135 O GLU A 72 7.717 -8.378 1.141 1.00 2.07 O ATOM 1136 CB GLU A 72 10.317 -8.501 0.560 1.00 2.60 C ATOM 1137 CG GLU A 72 11.829 -8.318 0.323 1.00 3.94 C ATOM 1138 CD GLU A 72 12.204 -8.703 -1.115 1.00 4.02 C ATOM 1139 OE1 GLU A 72 11.743 -8.009 -2.005 1.00 4.12 O ATOM 1140 OE2 GLU A 72 12.943 -9.672 -1.236 1.00 4.91 O ATOM 0 H GLU A 72 10.969 -5.826 -0.204 1.00 1.68 H new ATOM 0 HA GLU A 72 9.521 -7.405 -1.182 1.00 1.98 H new ATOM 0 HB2 GLU A 72 10.115 -8.526 1.631 1.00 2.60 H new ATOM 0 HB3 GLU A 72 9.997 -9.460 0.153 1.00 2.60 H new ATOM 0 HG2 GLU A 72 12.109 -7.282 0.512 1.00 3.94 H new ATOM 0 HG3 GLU A 72 12.389 -8.933 1.027 1.00 3.94 H new ATOM 1147 N LEU A 73 7.159 -6.702 -0.205 1.00 1.26 N ATOM 1148 CA LEU A 73 5.735 -6.849 0.189 1.00 1.20 C ATOM 1149 C LEU A 73 5.090 -7.828 -0.788 1.00 1.64 C ATOM 1150 O LEU A 73 5.552 -7.967 -1.905 1.00 2.79 O ATOM 1151 CB LEU A 73 5.038 -5.484 0.114 1.00 1.14 C ATOM 1152 CG LEU A 73 5.510 -4.562 1.259 1.00 1.12 C ATOM 1153 CD1 LEU A 73 4.775 -3.214 1.210 1.00 2.02 C ATOM 1154 CD2 LEU A 73 5.218 -5.198 2.622 1.00 2.36 C ATOM 0 H LEU A 73 7.365 -5.968 -0.882 1.00 1.26 H new ATOM 0 HA LEU A 73 5.647 -7.220 1.210 1.00 1.20 H new ATOM 0 HB2 LEU A 73 5.250 -5.015 -0.847 1.00 1.14 H new ATOM 0 HB3 LEU A 73 3.958 -5.619 0.172 1.00 1.14 H new ATOM 0 HG LEU A 73 6.582 -4.414 1.131 1.00 1.12 H new ATOM 0 HD11 LEU A 73 5.123 -2.580 2.026 1.00 2.02 H new ATOM 0 HD12 LEU A 73 4.977 -2.724 0.258 1.00 2.02 H new ATOM 0 HD13 LEU A 73 3.703 -3.380 1.312 1.00 2.02 H new ATOM 0 HD21 LEU A 73 5.558 -4.532 3.415 1.00 2.36 H new ATOM 0 HD22 LEU A 73 4.146 -5.365 2.724 1.00 2.36 H new ATOM 0 HD23 LEU A 73 5.742 -6.151 2.699 1.00 2.36 H new ATOM 1166 N GLN A 74 4.010 -8.453 -0.405 1.00 1.27 N ATOM 1167 CA GLN A 74 3.408 -9.424 -1.368 1.00 1.47 C ATOM 1168 C GLN A 74 2.338 -8.720 -2.206 1.00 1.56 C ATOM 1169 O GLN A 74 1.308 -9.289 -2.512 1.00 2.29 O ATOM 1170 CB GLN A 74 2.796 -10.609 -0.597 1.00 1.72 C ATOM 1171 CG GLN A 74 3.619 -10.946 0.667 1.00 2.02 C ATOM 1172 CD GLN A 74 5.122 -11.044 0.363 1.00 2.99 C ATOM 1173 OE1 GLN A 74 5.570 -11.830 -0.448 1.00 3.81 O ATOM 1174 NE2 GLN A 74 5.932 -10.258 1.002 1.00 4.02 N ATOM 0 H GLN A 74 3.534 -8.344 0.491 1.00 1.27 H new ATOM 0 HA GLN A 74 4.182 -9.804 -2.035 1.00 1.47 H new ATOM 0 HB2 GLN A 74 1.771 -10.369 -0.312 1.00 1.72 H new ATOM 0 HB3 GLN A 74 2.750 -11.483 -1.247 1.00 1.72 H new ATOM 0 HG2 GLN A 74 3.451 -10.180 1.424 1.00 2.02 H new ATOM 0 HG3 GLN A 74 3.271 -11.890 1.086 1.00 2.02 H new ATOM 0 HE21 GLN A 74 5.566 -9.595 1.685 1.00 4.02 H new ATOM 0 HE22 GLN A 74 6.935 -10.303 0.822 1.00 4.02 H new ATOM 1183 N TYR A 75 2.636 -7.500 -2.581 1.00 1.50 N ATOM 1184 CA TYR A 75 1.667 -6.706 -3.406 1.00 1.52 C ATOM 1185 C TYR A 75 1.301 -7.481 -4.677 1.00 1.67 C ATOM 1186 O TYR A 75 1.994 -8.403 -5.065 1.00 1.81 O ATOM 1187 CB TYR A 75 2.275 -5.338 -3.787 1.00 1.43 C ATOM 1188 CG TYR A 75 3.423 -5.493 -4.796 1.00 1.34 C ATOM 1189 CD1 TYR A 75 4.615 -6.090 -4.431 1.00 1.39 C ATOM 1190 CD2 TYR A 75 3.284 -5.031 -6.092 1.00 1.42 C ATOM 1191 CE1 TYR A 75 5.641 -6.225 -5.334 1.00 1.46 C ATOM 1192 CE2 TYR A 75 4.320 -5.165 -6.993 1.00 1.48 C ATOM 1193 CZ TYR A 75 5.501 -5.766 -6.619 1.00 1.48 C ATOM 1194 OH TYR A 75 6.526 -5.899 -7.524 1.00 1.68 O ATOM 0 H TYR A 75 3.506 -7.019 -2.353 1.00 1.50 H new ATOM 0 HA TYR A 75 0.767 -6.538 -2.815 1.00 1.52 H new ATOM 0 HB2 TYR A 75 1.500 -4.700 -4.211 1.00 1.43 H new ATOM 0 HB3 TYR A 75 2.642 -4.840 -2.890 1.00 1.43 H new ATOM 0 HD1 TYR A 75 4.741 -6.455 -3.422 1.00 1.39 H new ATOM 0 HD2 TYR A 75 2.361 -4.563 -6.400 1.00 1.42 H new ATOM 0 HE1 TYR A 75 6.564 -6.696 -5.030 1.00 1.46 H new ATOM 0 HE2 TYR A 75 4.204 -4.795 -8.001 1.00 1.48 H new ATOM 0 HH TYR A 75 7.384 -5.896 -7.050 1.00 1.68 H new ATOM 1204 N GLU A 76 0.249 -7.061 -5.323 1.00 1.69 N ATOM 1205 CA GLU A 76 -0.203 -7.758 -6.561 1.00 1.92 C ATOM 1206 C GLU A 76 -0.508 -6.695 -7.632 1.00 1.86 C ATOM 1207 O GLU A 76 -1.018 -5.640 -7.301 1.00 1.83 O ATOM 1208 CB GLU A 76 -1.439 -8.575 -6.142 1.00 2.09 C ATOM 1209 CG GLU A 76 -2.049 -9.347 -7.317 1.00 1.96 C ATOM 1210 CD GLU A 76 -3.301 -8.601 -7.770 1.00 2.27 C ATOM 1211 OE1 GLU A 76 -4.288 -8.676 -7.049 1.00 3.02 O ATOM 1212 OE2 GLU A 76 -3.181 -7.965 -8.790 1.00 3.21 O ATOM 0 H GLU A 76 -0.320 -6.261 -5.046 1.00 1.69 H new ATOM 0 HA GLU A 76 0.541 -8.427 -6.995 1.00 1.92 H new ATOM 0 HB2 GLU A 76 -1.159 -9.276 -5.355 1.00 2.09 H new ATOM 0 HB3 GLU A 76 -2.189 -7.906 -5.721 1.00 2.09 H new ATOM 0 HG2 GLU A 76 -1.333 -9.423 -8.136 1.00 1.96 H new ATOM 0 HG3 GLU A 76 -2.299 -10.364 -7.016 1.00 1.96 H new ATOM 1219 N VAL A 77 -0.142 -6.964 -8.874 1.00 2.00 N ATOM 1220 CA VAL A 77 -0.395 -5.964 -9.976 1.00 2.10 C ATOM 1221 C VAL A 77 -1.020 -6.660 -11.201 1.00 2.41 C ATOM 1222 O VAL A 77 -0.913 -6.180 -12.322 1.00 2.44 O ATOM 1223 CB VAL A 77 0.947 -5.308 -10.380 1.00 2.38 C ATOM 1224 CG1 VAL A 77 0.698 -4.013 -11.175 1.00 2.44 C ATOM 1225 CG2 VAL A 77 1.768 -4.965 -9.130 1.00 2.87 C ATOM 0 H VAL A 77 0.317 -7.826 -9.170 1.00 2.00 H new ATOM 0 HA VAL A 77 -1.088 -5.204 -9.617 1.00 2.10 H new ATOM 0 HB VAL A 77 1.494 -6.018 -11.000 1.00 2.38 H new ATOM 0 HG11 VAL A 77 1.653 -3.566 -11.450 1.00 2.44 H new ATOM 0 HG12 VAL A 77 0.131 -4.243 -12.077 1.00 2.44 H new ATOM 0 HG13 VAL A 77 0.133 -3.312 -10.561 1.00 2.44 H new ATOM 0 HG21 VAL A 77 2.710 -4.504 -9.428 1.00 2.87 H new ATOM 0 HG22 VAL A 77 1.206 -4.271 -8.505 1.00 2.87 H new ATOM 0 HG23 VAL A 77 1.972 -5.876 -8.567 1.00 2.87 H new