USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 60 TYR OH : rot 30:sc= 0.861 USER MOD Set 1.2: A 80 LYS NZ :NH3+ 174:sc= 0.972 (180deg=-0.0735) USER MOD Single : A 12 ASN : amide:sc= -0.947 K(o=-0.95,f=-1.7) USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= 1.11 (180deg=0.259) USER MOD Single : A 23 HIS : no HD1:sc= -0.894 K(o=-0.89,f=0.26) USER MOD Single : A 24 SER OG : rot -90:sc= 1.28 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl -167:sc= -0.2 (180deg=-0.736) USER MOD Single : A 28 ASN : amide:sc= 0.00311 X(o=0.0031,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 34 ASN : amide:sc= -0.0117 K(o=-0.012,f=-7.6!) USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 1.2 (180deg=0.981) USER MOD Single : A 42 MET CE :methyl 143:sc= -0.331 (180deg=-2.65) USER MOD Single : A 46 SER OG : rot -66:sc= 0.654 USER MOD Single : A 51 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0436) USER MOD Single : A 54 CYS SG : rot 65:sc= 0.977 USER MOD Single : A 55 THR OG1 : rot 71:sc= 0.84 USER MOD Single : A 59 MET CE :methyl 150:sc= -1.02 (180deg=-2.85!) USER MOD Single : A 68 HIS : no HD1:sc= -0.0458 X(o=-0.046,f=0.0036) USER MOD Single : A 70 THR OG1 : rot -52:sc= 0.954 USER MOD Single : A 71 GLN : amide:sc= -5.01! C(o=-5!,f=-3.4!) USER MOD Single : A 76 MET CE :methyl -161:sc= -0.169 (180deg=-0.84) USER MOD Single : A 82 MET CE :methyl -153:sc= -0.117 (180deg=-1.2) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 11 2.531 -16.397 -0.414 1.00 11.22 N ATOM 165 CA PRO A 11 3.578 -15.743 0.381 1.00 75.22 C ATOM 166 C PRO A 11 3.226 -15.631 1.878 1.00 35.31 C ATOM 167 O PRO A 11 2.072 -15.393 2.245 1.00 42.40 O ATOM 168 CB PRO A 11 3.667 -14.357 -0.265 1.00 15.12 C ATOM 169 CG PRO A 11 2.278 -14.077 -0.739 1.00 34.24 C ATOM 170 CD PRO A 11 1.684 -15.414 -1.127 1.00 71.25 C ATOM 0 HA PRO A 11 4.512 -16.305 0.373 1.00 75.22 H new ATOM 0 HB2 PRO A 11 4.001 -13.606 0.451 1.00 15.12 H new ATOM 0 HB3 PRO A 11 4.378 -14.349 -1.091 1.00 15.12 H new ATOM 0 HG2 PRO A 11 1.688 -13.602 0.045 1.00 34.24 H new ATOM 0 HG3 PRO A 11 2.287 -13.394 -1.589 1.00 34.24 H new ATOM 0 HD2 PRO A 11 0.640 -15.491 -0.824 1.00 71.25 H new ATOM 0 HD3 PRO A 11 1.715 -15.567 -2.206 1.00 71.25 H new ATOM 178 N ASN A 12 4.225 -15.822 2.739 1.00 23.22 N ATOM 179 CA ASN A 12 4.055 -15.631 4.187 1.00 33.23 C ATOM 180 C ASN A 12 3.864 -14.133 4.514 1.00 21.41 C ATOM 181 O ASN A 12 4.099 -13.279 3.659 1.00 14.44 O ATOM 182 CB ASN A 12 5.279 -16.197 4.925 1.00 52.50 C ATOM 183 CG ASN A 12 5.164 -16.111 6.436 1.00 72.24 C ATOM 184 OD1 ASN A 12 5.571 -15.129 7.046 1.00 62.25 O ATOM 185 ND2 ASN A 12 4.603 -17.131 7.050 1.00 23.15 N ATOM 0 H ASN A 12 5.164 -16.109 2.462 1.00 23.22 H new ATOM 0 HA ASN A 12 3.164 -16.164 4.518 1.00 33.23 H new ATOM 0 HB2 ASN A 12 5.418 -17.239 4.637 1.00 52.50 H new ATOM 0 HB3 ASN A 12 6.170 -15.656 4.604 1.00 52.50 H new ATOM 0 HD21 ASN A 12 4.496 -17.120 8.064 1.00 23.15 H new ATOM 0 HD22 ASN A 12 4.275 -17.933 6.512 1.00 23.15 H new ATOM 192 N GLU A 13 3.441 -13.817 5.744 1.00 24.34 N ATOM 193 CA GLU A 13 3.211 -12.420 6.151 1.00 33.42 C ATOM 194 C GLU A 13 4.399 -11.516 5.797 1.00 43.43 C ATOM 195 O GLU A 13 4.254 -10.547 5.061 1.00 60.02 O ATOM 196 CB GLU A 13 2.964 -12.319 7.657 1.00 72.11 C ATOM 197 CG GLU A 13 2.646 -10.896 8.116 1.00 71.22 C ATOM 198 CD GLU A 13 1.185 -10.526 7.919 1.00 53.33 C ATOM 199 OE1 GLU A 13 0.318 -11.124 8.593 1.00 24.11 O ATOM 200 OE2 GLU A 13 0.893 -9.662 7.073 1.00 54.15 O ATOM 0 H GLU A 13 3.251 -14.504 6.474 1.00 24.34 H new ATOM 0 HA GLU A 13 2.330 -12.084 5.604 1.00 33.42 H new ATOM 0 HB2 GLU A 13 2.138 -12.976 7.929 1.00 72.11 H new ATOM 0 HB3 GLU A 13 3.845 -12.678 8.189 1.00 72.11 H new ATOM 0 HG2 GLU A 13 2.903 -10.793 9.170 1.00 71.22 H new ATOM 0 HG3 GLU A 13 3.271 -10.193 7.565 1.00 71.22 H new ATOM 207 N GLU A 14 5.577 -11.844 6.325 1.00 53.44 N ATOM 208 CA GLU A 14 6.793 -11.068 6.044 1.00 22.50 C ATOM 209 C GLU A 14 7.100 -11.016 4.542 1.00 70.12 C ATOM 210 O GLU A 14 7.688 -10.056 4.062 1.00 64.32 O ATOM 211 CB GLU A 14 7.988 -11.644 6.821 1.00 2.31 C ATOM 212 CG GLU A 14 8.161 -11.048 8.218 1.00 43.34 C ATOM 213 CD GLU A 14 8.720 -9.627 8.188 1.00 0.43 C ATOM 214 OE1 GLU A 14 7.930 -8.662 8.122 1.00 32.22 O ATOM 215 OE2 GLU A 14 9.961 -9.470 8.225 1.00 63.32 O ATOM 0 H GLU A 14 5.720 -12.639 6.948 1.00 53.44 H new ATOM 0 HA GLU A 14 6.616 -10.045 6.377 1.00 22.50 H new ATOM 0 HB2 GLU A 14 7.866 -12.723 6.909 1.00 2.31 H new ATOM 0 HB3 GLU A 14 8.899 -11.472 6.248 1.00 2.31 H new ATOM 0 HG2 GLU A 14 7.198 -11.044 8.729 1.00 43.34 H new ATOM 0 HG3 GLU A 14 8.828 -11.684 8.800 1.00 43.34 H new ATOM 222 N ALA A 15 6.685 -12.043 3.805 1.00 44.34 N ATOM 223 CA ALA A 15 6.890 -12.084 2.354 1.00 20.24 C ATOM 224 C ALA A 15 5.975 -11.081 1.629 1.00 73.24 C ATOM 225 O ALA A 15 6.431 -10.331 0.767 1.00 31.24 O ATOM 226 CB ALA A 15 6.673 -13.499 1.824 1.00 14.23 C ATOM 0 H ALA A 15 6.205 -12.859 4.185 1.00 44.34 H new ATOM 0 HA ALA A 15 7.921 -11.793 2.152 1.00 20.24 H new ATOM 0 HB1 ALA A 15 6.829 -13.511 0.745 1.00 14.23 H new ATOM 0 HB2 ALA A 15 7.379 -14.178 2.301 1.00 14.23 H new ATOM 0 HB3 ALA A 15 5.655 -13.819 2.047 1.00 14.23 H new ATOM 232 N ARG A 16 4.685 -11.062 1.981 1.00 3.44 N ATOM 233 CA ARG A 16 3.746 -10.109 1.373 1.00 2.10 C ATOM 234 C ARG A 16 4.018 -8.677 1.868 1.00 54.23 C ATOM 235 O ARG A 16 4.004 -7.724 1.085 1.00 34.22 O ATOM 236 CB ARG A 16 2.282 -10.516 1.639 1.00 40.42 C ATOM 237 CG ARG A 16 1.856 -10.462 3.105 1.00 72.20 C ATOM 238 CD ARG A 16 0.390 -10.851 3.289 1.00 15.00 C ATOM 239 NE ARG A 16 -0.023 -10.809 4.693 1.00 73.02 N ATOM 240 CZ ARG A 16 -1.179 -11.225 5.138 1.00 14.44 C ATOM 241 NH1 ARG A 16 -2.090 -11.651 4.324 1.00 33.33 N ATOM 242 NH2 ARG A 16 -1.436 -11.175 6.401 1.00 70.24 N ATOM 0 H ARG A 16 4.270 -11.685 2.674 1.00 3.44 H new ATOM 0 HA ARG A 16 3.904 -10.130 0.295 1.00 2.10 H new ATOM 0 HB2 ARG A 16 1.628 -9.863 1.061 1.00 40.42 H new ATOM 0 HB3 ARG A 16 2.129 -11.529 1.268 1.00 40.42 H new ATOM 0 HG2 ARG A 16 2.485 -11.132 3.690 1.00 72.20 H new ATOM 0 HG3 ARG A 16 2.016 -9.456 3.492 1.00 72.20 H new ATOM 0 HD2 ARG A 16 -0.238 -10.177 2.707 1.00 15.00 H new ATOM 0 HD3 ARG A 16 0.230 -11.855 2.895 1.00 15.00 H new ATOM 0 HE ARG A 16 0.637 -10.429 5.371 1.00 73.02 H new ATOM 0 HH11 ARG A 16 -1.911 -11.665 3.320 1.00 33.33 H new ATOM 0 HH12 ARG A 16 -2.988 -11.973 4.686 1.00 33.33 H new ATOM 0 HH21 ARG A 16 -0.738 -10.811 7.050 1.00 70.24 H new ATOM 0 HH22 ARG A 16 -2.338 -11.499 6.751 1.00 70.24 H new ATOM 256 N LEU A 17 4.275 -8.528 3.173 1.00 41.31 N ATOM 257 CA LEU A 17 4.661 -7.232 3.735 1.00 51.44 C ATOM 258 C LEU A 17 5.993 -6.730 3.139 1.00 3.32 C ATOM 259 O LEU A 17 6.191 -5.525 2.973 1.00 21.03 O ATOM 260 CB LEU A 17 4.760 -7.333 5.264 1.00 34.11 C ATOM 261 CG LEU A 17 5.141 -6.032 5.991 1.00 24.42 C ATOM 262 CD1 LEU A 17 4.153 -4.919 5.664 1.00 52.14 C ATOM 263 CD2 LEU A 17 5.229 -6.260 7.501 1.00 4.20 C ATOM 0 H LEU A 17 4.223 -9.285 3.855 1.00 41.31 H new ATOM 0 HA LEU A 17 3.891 -6.507 3.473 1.00 51.44 H new ATOM 0 HB2 LEU A 17 3.801 -7.677 5.651 1.00 34.11 H new ATOM 0 HB3 LEU A 17 5.497 -8.097 5.513 1.00 34.11 H new ATOM 0 HG LEU A 17 6.125 -5.722 5.639 1.00 24.42 H new ATOM 0 HD11 LEU A 17 4.443 -4.009 6.189 1.00 52.14 H new ATOM 0 HD12 LEU A 17 4.156 -4.734 4.590 1.00 52.14 H new ATOM 0 HD13 LEU A 17 3.153 -5.216 5.979 1.00 52.14 H new ATOM 0 HD21 LEU A 17 5.500 -5.327 7.995 1.00 4.20 H new ATOM 0 HD22 LEU A 17 4.263 -6.601 7.874 1.00 4.20 H new ATOM 0 HD23 LEU A 17 5.987 -7.015 7.711 1.00 4.20 H new ATOM 275 N ASP A 18 6.900 -7.654 2.810 1.00 3.10 N ATOM 276 CA ASP A 18 8.191 -7.294 2.204 1.00 63.51 C ATOM 277 C ASP A 18 7.992 -6.565 0.866 1.00 35.32 C ATOM 278 O ASP A 18 8.685 -5.590 0.568 1.00 73.51 O ATOM 279 CB ASP A 18 9.053 -8.544 2.000 1.00 22.41 C ATOM 280 CG ASP A 18 10.465 -8.212 1.557 1.00 34.14 C ATOM 281 OD1 ASP A 18 11.297 -7.862 2.421 1.00 44.55 O ATOM 282 OD2 ASP A 18 10.756 -8.302 0.351 1.00 3.11 O ATOM 0 H ASP A 18 6.767 -8.655 2.951 1.00 3.10 H new ATOM 0 HA ASP A 18 8.704 -6.617 2.887 1.00 63.51 H new ATOM 0 HB2 ASP A 18 9.092 -9.110 2.931 1.00 22.41 H new ATOM 0 HB3 ASP A 18 8.584 -9.187 1.255 1.00 22.41 H new ATOM 287 N ILE A 19 7.036 -7.041 0.067 1.00 30.12 N ATOM 288 CA ILE A 19 6.687 -6.389 -1.202 1.00 72.12 C ATOM 289 C ILE A 19 6.319 -4.913 -0.963 1.00 0.24 C ATOM 290 O ILE A 19 6.749 -4.016 -1.695 1.00 71.55 O ATOM 291 CB ILE A 19 5.495 -7.104 -1.891 1.00 41.44 C ATOM 292 CG1 ILE A 19 5.725 -8.625 -1.935 1.00 12.13 C ATOM 293 CG2 ILE A 19 5.283 -6.558 -3.304 1.00 13.11 C ATOM 294 CD1 ILE A 19 4.517 -9.409 -2.404 1.00 74.32 C ATOM 0 H ILE A 19 6.488 -7.876 0.274 1.00 30.12 H new ATOM 0 HA ILE A 19 7.559 -6.450 -1.853 1.00 72.12 H new ATOM 0 HB ILE A 19 4.597 -6.907 -1.305 1.00 41.44 H new ATOM 0 HG12 ILE A 19 6.565 -8.838 -2.597 1.00 12.13 H new ATOM 0 HG13 ILE A 19 6.007 -8.970 -0.940 1.00 12.13 H new ATOM 0 HG21 ILE A 19 4.443 -7.072 -3.770 1.00 13.11 H new ATOM 0 HG22 ILE A 19 5.072 -5.490 -3.253 1.00 13.11 H new ATOM 0 HG23 ILE A 19 6.183 -6.722 -3.896 1.00 13.11 H new ATOM 0 HD11 ILE A 19 4.753 -10.473 -2.409 1.00 74.32 H new ATOM 0 HD12 ILE A 19 3.681 -9.227 -1.729 1.00 74.32 H new ATOM 0 HD13 ILE A 19 4.246 -9.092 -3.411 1.00 74.32 H new ATOM 306 N LEU A 20 5.522 -4.677 0.077 1.00 53.43 N ATOM 307 CA LEU A 20 5.159 -3.320 0.505 1.00 43.30 C ATOM 308 C LEU A 20 6.396 -2.532 0.966 1.00 31.25 C ATOM 309 O LEU A 20 6.571 -1.366 0.611 1.00 43.15 O ATOM 310 CB LEU A 20 4.125 -3.390 1.640 1.00 20.30 C ATOM 311 CG LEU A 20 2.734 -3.901 1.225 1.00 43.40 C ATOM 312 CD1 LEU A 20 1.909 -4.308 2.441 1.00 4.11 C ATOM 313 CD2 LEU A 20 1.998 -2.838 0.410 1.00 43.10 C ATOM 0 H LEU A 20 5.109 -5.415 0.647 1.00 53.43 H new ATOM 0 HA LEU A 20 4.726 -2.798 -0.348 1.00 43.30 H new ATOM 0 HB2 LEU A 20 4.514 -4.038 2.425 1.00 20.30 H new ATOM 0 HB3 LEU A 20 4.016 -2.396 2.073 1.00 20.30 H new ATOM 0 HG LEU A 20 2.872 -4.786 0.604 1.00 43.40 H new ATOM 0 HD11 LEU A 20 0.932 -4.664 2.115 1.00 4.11 H new ATOM 0 HD12 LEU A 20 2.424 -5.103 2.980 1.00 4.11 H new ATOM 0 HD13 LEU A 20 1.781 -3.448 3.098 1.00 4.11 H new ATOM 0 HD21 LEU A 20 1.016 -3.214 0.124 1.00 43.10 H new ATOM 0 HD22 LEU A 20 1.880 -1.936 1.011 1.00 43.10 H new ATOM 0 HD23 LEU A 20 2.572 -2.605 -0.486 1.00 43.10 H new ATOM 325 N LYS A 21 7.253 -3.184 1.754 1.00 44.51 N ATOM 326 CA LYS A 21 8.500 -2.570 2.237 1.00 23.13 C ATOM 327 C LYS A 21 9.356 -2.048 1.068 1.00 44.21 C ATOM 328 O LYS A 21 9.847 -0.925 1.109 1.00 22.31 O ATOM 329 CB LYS A 21 9.310 -3.581 3.069 1.00 32.15 C ATOM 330 CG LYS A 21 8.631 -4.020 4.370 1.00 71.13 C ATOM 331 CD LYS A 21 9.411 -5.144 5.054 1.00 33.15 C ATOM 332 CE LYS A 21 8.767 -5.595 6.359 1.00 11.22 C ATOM 333 NZ LYS A 21 9.524 -6.706 6.998 1.00 25.05 N ATOM 0 H LYS A 21 7.109 -4.142 2.075 1.00 44.51 H new ATOM 0 HA LYS A 21 8.230 -1.723 2.867 1.00 23.13 H new ATOM 0 HB2 LYS A 21 9.503 -4.463 2.459 1.00 32.15 H new ATOM 0 HB3 LYS A 21 10.278 -3.142 3.309 1.00 32.15 H new ATOM 0 HG2 LYS A 21 8.550 -3.168 5.045 1.00 71.13 H new ATOM 0 HG3 LYS A 21 7.616 -4.356 4.157 1.00 71.13 H new ATOM 0 HD2 LYS A 21 9.484 -5.995 4.376 1.00 33.15 H new ATOM 0 HD3 LYS A 21 10.428 -4.806 5.253 1.00 33.15 H new ATOM 0 HE2 LYS A 21 8.711 -4.751 7.047 1.00 11.22 H new ATOM 0 HE3 LYS A 21 7.744 -5.917 6.166 1.00 11.22 H new ATOM 0 HZ1 LYS A 21 8.897 -7.226 7.645 1.00 25.05 H new ATOM 0 HZ2 LYS A 21 9.878 -7.352 6.264 1.00 25.05 H new ATOM 0 HZ3 LYS A 21 10.327 -6.317 7.533 1.00 25.05 H new ATOM 347 N ILE A 22 9.516 -2.863 0.028 1.00 63.50 N ATOM 348 CA ILE A 22 10.293 -2.470 -1.161 1.00 74.44 C ATOM 349 C ILE A 22 9.571 -1.390 -1.989 1.00 4.25 C ATOM 350 O ILE A 22 10.134 -0.333 -2.272 1.00 50.11 O ATOM 351 CB ILE A 22 10.583 -3.694 -2.071 1.00 12.51 C ATOM 352 CG1 ILE A 22 11.372 -4.768 -1.299 1.00 12.52 C ATOM 353 CG2 ILE A 22 11.344 -3.268 -3.329 1.00 23.15 C ATOM 354 CD1 ILE A 22 11.663 -6.018 -2.108 1.00 44.35 C ATOM 0 H ILE A 22 9.120 -3.802 -0.022 1.00 63.50 H new ATOM 0 HA ILE A 22 11.233 -2.059 -0.793 1.00 74.44 H new ATOM 0 HB ILE A 22 9.629 -4.122 -2.379 1.00 12.51 H new ATOM 0 HG12 ILE A 22 12.315 -4.339 -0.960 1.00 12.52 H new ATOM 0 HG13 ILE A 22 10.810 -5.047 -0.407 1.00 12.52 H new ATOM 0 HG21 ILE A 22 11.536 -4.142 -3.951 1.00 23.15 H new ATOM 0 HG22 ILE A 22 10.747 -2.548 -3.889 1.00 23.15 H new ATOM 0 HG23 ILE A 22 12.291 -2.810 -3.044 1.00 23.15 H new ATOM 0 HD11 ILE A 22 12.221 -6.726 -1.496 1.00 44.35 H new ATOM 0 HD12 ILE A 22 10.725 -6.473 -2.425 1.00 44.35 H new ATOM 0 HD13 ILE A 22 12.253 -5.754 -2.986 1.00 44.35 H new ATOM 366 N HIS A 23 8.321 -1.655 -2.369 1.00 34.04 N ATOM 367 CA HIS A 23 7.570 -0.736 -3.238 1.00 21.54 C ATOM 368 C HIS A 23 7.260 0.604 -2.551 1.00 72.23 C ATOM 369 O HIS A 23 6.948 1.591 -3.221 1.00 71.14 O ATOM 370 CB HIS A 23 6.281 -1.395 -3.741 1.00 2.11 C ATOM 371 CG HIS A 23 6.523 -2.454 -4.775 1.00 40.11 C ATOM 372 ND1 HIS A 23 6.421 -2.219 -6.128 1.00 14.51 N ATOM 373 CD2 HIS A 23 6.876 -3.755 -4.653 1.00 53.21 C ATOM 374 CE1 HIS A 23 6.696 -3.325 -6.788 1.00 43.22 C ATOM 375 NE2 HIS A 23 6.977 -4.272 -5.920 1.00 42.32 N ATOM 0 H HIS A 23 7.806 -2.491 -2.093 1.00 34.04 H new ATOM 0 HA HIS A 23 8.211 -0.516 -4.092 1.00 21.54 H new ATOM 0 HB2 HIS A 23 5.752 -1.836 -2.896 1.00 2.11 H new ATOM 0 HB3 HIS A 23 5.629 -0.629 -4.161 1.00 2.11 H new ATOM 0 HD2 HIS A 23 7.047 -4.288 -3.729 1.00 53.21 H new ATOM 0 HE1 HIS A 23 6.691 -3.436 -7.862 1.00 43.22 H new ATOM 0 HE2 HIS A 23 7.229 -5.233 -6.151 1.00 42.32 H new ATOM 384 N SER A 24 7.352 0.644 -1.221 1.00 61.14 N ATOM 385 CA SER A 24 7.188 1.905 -0.477 1.00 2.34 C ATOM 386 C SER A 24 8.274 2.909 -0.883 1.00 54.02 C ATOM 387 O SER A 24 8.045 4.114 -0.895 1.00 65.12 O ATOM 388 CB SER A 24 7.261 1.670 1.038 1.00 2.41 C ATOM 389 OG SER A 24 8.591 1.405 1.458 1.00 40.12 O ATOM 0 H SER A 24 7.537 -0.171 -0.636 1.00 61.14 H new ATOM 0 HA SER A 24 6.205 2.307 -0.723 1.00 2.34 H new ATOM 0 HB2 SER A 24 6.880 2.546 1.562 1.00 2.41 H new ATOM 0 HB3 SER A 24 6.619 0.832 1.309 1.00 2.41 H new ATOM 0 HG SER A 24 8.762 0.441 1.415 1.00 40.12 H new ATOM 395 N ARG A 25 9.452 2.387 -1.237 1.00 12.00 N ATOM 396 CA ARG A 25 10.581 3.214 -1.689 1.00 12.45 C ATOM 397 C ARG A 25 10.225 4.033 -2.946 1.00 40.23 C ATOM 398 O ARG A 25 10.888 5.021 -3.263 1.00 60.31 O ATOM 399 CB ARG A 25 11.806 2.321 -1.979 1.00 74.22 C ATOM 400 CG ARG A 25 12.607 1.909 -0.743 1.00 72.42 C ATOM 401 CD ARG A 25 11.769 1.135 0.265 1.00 43.44 C ATOM 402 NE ARG A 25 12.572 0.632 1.381 1.00 13.32 N ATOM 403 CZ ARG A 25 12.353 0.921 2.635 1.00 15.03 C ATOM 404 NH1 ARG A 25 11.384 1.710 2.966 1.00 3.44 N ATOM 405 NH2 ARG A 25 13.108 0.412 3.558 1.00 22.35 N ATOM 0 H ARG A 25 9.652 1.387 -1.220 1.00 12.00 H new ATOM 0 HA ARG A 25 10.817 3.915 -0.889 1.00 12.45 H new ATOM 0 HB2 ARG A 25 11.468 1.421 -2.492 1.00 74.22 H new ATOM 0 HB3 ARG A 25 12.469 2.849 -2.665 1.00 74.22 H new ATOM 0 HG2 ARG A 25 13.455 1.297 -1.051 1.00 72.42 H new ATOM 0 HG3 ARG A 25 13.014 2.800 -0.264 1.00 72.42 H new ATOM 0 HD2 ARG A 25 10.979 1.780 0.650 1.00 43.44 H new ATOM 0 HD3 ARG A 25 11.282 0.298 -0.236 1.00 43.44 H new ATOM 0 HE ARG A 25 13.355 0.015 1.164 1.00 13.32 H new ATOM 0 HH11 ARG A 25 10.784 2.111 2.245 1.00 3.44 H new ATOM 0 HH12 ARG A 25 11.219 1.931 3.948 1.00 3.44 H new ATOM 0 HH21 ARG A 25 13.872 -0.214 3.304 1.00 22.35 H new ATOM 0 HH22 ARG A 25 12.938 0.637 4.538 1.00 22.35 H new ATOM 419 N LYS A 26 9.177 3.617 -3.658 1.00 3.12 N ATOM 420 CA LYS A 26 8.740 4.306 -4.880 1.00 32.45 C ATOM 421 C LYS A 26 7.836 5.511 -4.563 1.00 61.10 C ATOM 422 O LYS A 26 7.407 6.230 -5.465 1.00 64.54 O ATOM 423 CB LYS A 26 8.010 3.325 -5.812 1.00 24.03 C ATOM 424 CG LYS A 26 8.840 2.100 -6.187 1.00 71.14 C ATOM 425 CD LYS A 26 10.170 2.485 -6.831 1.00 3.11 C ATOM 426 CE LYS A 26 9.976 3.278 -8.120 1.00 14.33 C ATOM 427 NZ LYS A 26 11.271 3.691 -8.716 1.00 63.13 N ATOM 0 H LYS A 26 8.612 2.805 -3.411 1.00 3.12 H new ATOM 0 HA LYS A 26 9.631 4.684 -5.382 1.00 32.45 H new ATOM 0 HB2 LYS A 26 7.090 2.995 -5.329 1.00 24.03 H new ATOM 0 HB3 LYS A 26 7.721 3.850 -6.723 1.00 24.03 H new ATOM 0 HG2 LYS A 26 9.029 1.503 -5.295 1.00 71.14 H new ATOM 0 HG3 LYS A 26 8.272 1.474 -6.875 1.00 71.14 H new ATOM 0 HD2 LYS A 26 10.755 3.076 -6.127 1.00 3.11 H new ATOM 0 HD3 LYS A 26 10.744 1.583 -7.044 1.00 3.11 H new ATOM 0 HE2 LYS A 26 9.422 2.673 -8.838 1.00 14.33 H new ATOM 0 HE3 LYS A 26 9.372 4.162 -7.915 1.00 14.33 H new ATOM 0 HZ1 LYS A 26 11.096 4.227 -9.590 1.00 63.13 H new ATOM 0 HZ2 LYS A 26 11.789 4.289 -8.041 1.00 63.13 H new ATOM 0 HZ3 LYS A 26 11.837 2.847 -8.936 1.00 63.13 H new ATOM 441 N MET A 27 7.540 5.713 -3.281 1.00 51.23 N ATOM 442 CA MET A 27 6.749 6.863 -2.823 1.00 1.21 C ATOM 443 C MET A 27 7.299 7.398 -1.491 1.00 22.24 C ATOM 444 O MET A 27 8.253 6.849 -0.941 1.00 35.41 O ATOM 445 CB MET A 27 5.266 6.475 -2.664 1.00 54.15 C ATOM 446 CG MET A 27 4.595 6.034 -3.960 1.00 11.41 C ATOM 447 SD MET A 27 2.839 5.658 -3.751 1.00 43.44 S ATOM 448 CE MET A 27 2.906 4.371 -2.504 1.00 10.42 C ATOM 0 H MET A 27 7.838 5.090 -2.530 1.00 51.23 H new ATOM 0 HA MET A 27 6.824 7.648 -3.575 1.00 1.21 H new ATOM 0 HB2 MET A 27 5.189 5.668 -1.935 1.00 54.15 H new ATOM 0 HB3 MET A 27 4.721 7.326 -2.257 1.00 54.15 H new ATOM 0 HG2 MET A 27 4.707 6.820 -4.707 1.00 11.41 H new ATOM 0 HG3 MET A 27 5.107 5.152 -4.346 1.00 11.41 H new ATOM 0 HE1 MET A 27 1.936 3.879 -2.436 1.00 10.42 H new ATOM 0 HE2 MET A 27 3.666 3.639 -2.777 1.00 10.42 H new ATOM 0 HE3 MET A 27 3.157 4.812 -1.539 1.00 10.42 H new ATOM 458 N ASN A 28 6.707 8.475 -0.982 1.00 31.33 N ATOM 459 CA ASN A 28 7.101 9.021 0.323 1.00 50.54 C ATOM 460 C ASN A 28 6.104 8.585 1.405 1.00 32.24 C ATOM 461 O ASN A 28 4.915 8.880 1.308 1.00 53.42 O ATOM 462 CB ASN A 28 7.167 10.553 0.269 1.00 64.41 C ATOM 463 CG ASN A 28 7.923 11.066 -0.945 1.00 54.33 C ATOM 464 OD1 ASN A 28 9.143 11.190 -0.935 1.00 35.04 O ATOM 465 ND2 ASN A 28 7.200 11.385 -1.998 1.00 33.15 N ATOM 0 H ASN A 28 5.957 8.987 -1.446 1.00 31.33 H new ATOM 0 HA ASN A 28 8.090 8.634 0.570 1.00 50.54 H new ATOM 0 HB2 ASN A 28 6.154 10.956 0.258 1.00 64.41 H new ATOM 0 HB3 ASN A 28 7.648 10.924 1.174 1.00 64.41 H new ATOM 0 HD21 ASN A 28 7.653 11.747 -2.837 1.00 33.15 H new ATOM 0 HD22 ASN A 28 6.187 11.270 -1.975 1.00 33.15 H new ATOM 472 N LEU A 29 6.577 7.880 2.429 1.00 25.20 N ATOM 473 CA LEU A 29 5.703 7.433 3.525 1.00 33.43 C ATOM 474 C LEU A 29 5.536 8.526 4.590 1.00 4.41 C ATOM 475 O LEU A 29 6.405 9.384 4.758 1.00 22.52 O ATOM 476 CB LEU A 29 6.257 6.158 4.178 1.00 52.32 C ATOM 477 CG LEU A 29 6.416 4.946 3.243 1.00 33.40 C ATOM 478 CD1 LEU A 29 6.942 3.738 4.016 1.00 23.42 C ATOM 479 CD2 LEU A 29 5.091 4.618 2.554 1.00 54.11 C ATOM 0 H LEU A 29 7.554 7.604 2.529 1.00 25.20 H new ATOM 0 HA LEU A 29 4.726 7.219 3.093 1.00 33.43 H new ATOM 0 HB2 LEU A 29 7.229 6.388 4.614 1.00 52.32 H new ATOM 0 HB3 LEU A 29 5.598 5.876 4.999 1.00 52.32 H new ATOM 0 HG LEU A 29 7.144 5.199 2.472 1.00 33.40 H new ATOM 0 HD11 LEU A 29 7.048 2.891 3.339 1.00 23.42 H new ATOM 0 HD12 LEU A 29 7.912 3.979 4.451 1.00 23.42 H new ATOM 0 HD13 LEU A 29 6.242 3.482 4.811 1.00 23.42 H new ATOM 0 HD21 LEU A 29 5.225 3.758 1.898 1.00 54.11 H new ATOM 0 HD22 LEU A 29 4.337 4.386 3.306 1.00 54.11 H new ATOM 0 HD23 LEU A 29 4.764 5.476 1.966 1.00 54.11 H new ATOM 491 N THR A 30 4.413 8.502 5.303 1.00 2.13 N ATOM 492 CA THR A 30 4.171 9.463 6.390 1.00 14.00 C ATOM 493 C THR A 30 4.697 8.943 7.738 1.00 74.44 C ATOM 494 O THR A 30 5.240 7.840 7.825 1.00 62.11 O ATOM 495 CB THR A 30 2.666 9.797 6.533 1.00 25.11 C ATOM 496 OG1 THR A 30 2.486 10.897 7.440 1.00 31.50 O ATOM 497 CG2 THR A 30 1.878 8.594 7.038 1.00 44.43 C ATOM 0 H THR A 30 3.657 7.834 5.154 1.00 2.13 H new ATOM 0 HA THR A 30 4.714 10.369 6.121 1.00 14.00 H new ATOM 0 HB THR A 30 2.292 10.069 5.546 1.00 25.11 H new ATOM 0 HG1 THR A 30 1.531 11.101 7.522 1.00 31.50 H new ATOM 0 HG21 THR A 30 0.825 8.861 7.128 1.00 44.43 H new ATOM 0 HG22 THR A 30 1.985 7.768 6.335 1.00 44.43 H new ATOM 0 HG23 THR A 30 2.260 8.292 8.013 1.00 44.43 H new ATOM 505 N ARG A 31 4.526 9.743 8.787 1.00 51.02 N ATOM 506 CA ARG A 31 4.973 9.372 10.133 1.00 51.10 C ATOM 507 C ARG A 31 3.913 8.530 10.864 1.00 61.31 C ATOM 508 O ARG A 31 2.711 8.761 10.717 1.00 10.34 O ATOM 509 CB ARG A 31 5.310 10.633 10.942 1.00 33.42 C ATOM 510 CG ARG A 31 6.489 11.417 10.373 1.00 71.52 C ATOM 511 CD ARG A 31 6.774 12.684 11.171 1.00 4.44 C ATOM 512 NE ARG A 31 5.698 13.668 11.054 1.00 44.32 N ATOM 513 CZ ARG A 31 5.596 14.735 11.800 1.00 20.15 C ATOM 514 NH1 ARG A 31 6.442 14.959 12.755 1.00 5.02 N ATOM 515 NH2 ARG A 31 4.634 15.575 11.600 1.00 21.41 N ATOM 0 H ARG A 31 4.079 10.658 8.733 1.00 51.02 H new ATOM 0 HA ARG A 31 5.871 8.761 10.036 1.00 51.10 H new ATOM 0 HB2 ARG A 31 4.434 11.280 10.975 1.00 33.42 H new ATOM 0 HB3 ARG A 31 5.534 10.348 11.970 1.00 33.42 H new ATOM 0 HG2 ARG A 31 7.377 10.784 10.369 1.00 71.52 H new ATOM 0 HG3 ARG A 31 6.281 11.681 9.336 1.00 71.52 H new ATOM 0 HD2 ARG A 31 6.914 12.426 12.221 1.00 4.44 H new ATOM 0 HD3 ARG A 31 7.708 13.127 10.824 1.00 4.44 H new ATOM 0 HE ARG A 31 4.982 13.511 10.345 1.00 44.32 H new ATOM 0 HH11 ARG A 31 7.199 14.298 12.931 1.00 5.02 H new ATOM 0 HH12 ARG A 31 6.351 15.796 13.331 1.00 5.02 H new ATOM 0 HH21 ARG A 31 3.954 15.405 10.859 1.00 21.41 H new ATOM 0 HH22 ARG A 31 4.555 16.408 12.183 1.00 21.41 H new ATOM 529 N GLY A 32 4.373 7.550 11.642 1.00 2.10 N ATOM 530 CA GLY A 32 3.461 6.658 12.357 1.00 24.35 C ATOM 531 C GLY A 32 2.608 5.794 11.429 1.00 71.13 C ATOM 532 O GLY A 32 1.453 5.486 11.732 1.00 2.23 O ATOM 0 H GLY A 32 5.363 7.355 11.792 1.00 2.10 H new ATOM 0 HA2 GLY A 32 4.040 6.010 13.015 1.00 24.35 H new ATOM 0 HA3 GLY A 32 2.805 7.254 12.992 1.00 24.35 H new ATOM 536 N ILE A 33 3.184 5.399 10.295 1.00 5.42 N ATOM 537 CA ILE A 33 2.466 4.599 9.294 1.00 52.31 C ATOM 538 C ILE A 33 2.622 3.082 9.551 1.00 40.52 C ATOM 539 O ILE A 33 3.728 2.532 9.511 1.00 4.21 O ATOM 540 CB ILE A 33 2.934 4.964 7.854 1.00 2.30 C ATOM 541 CG1 ILE A 33 2.092 4.220 6.803 1.00 71.30 C ATOM 542 CG2 ILE A 33 4.424 4.677 7.665 1.00 54.12 C ATOM 543 CD1 ILE A 33 2.466 4.542 5.371 1.00 51.32 C ATOM 0 H ILE A 33 4.148 5.618 10.043 1.00 5.42 H new ATOM 0 HA ILE A 33 1.407 4.839 9.385 1.00 52.31 H new ATOM 0 HB ILE A 33 2.784 6.035 7.715 1.00 2.30 H new ATOM 0 HG12 ILE A 33 2.197 3.147 6.962 1.00 71.30 H new ATOM 0 HG13 ILE A 33 1.041 4.464 6.956 1.00 71.30 H new ATOM 0 HG21 ILE A 33 4.720 4.942 6.650 1.00 54.12 H new ATOM 0 HG22 ILE A 33 5.001 5.267 8.377 1.00 54.12 H new ATOM 0 HG23 ILE A 33 4.615 3.617 7.833 1.00 54.12 H new ATOM 0 HD11 ILE A 33 1.827 3.978 4.692 1.00 51.32 H new ATOM 0 HD12 ILE A 33 2.333 5.609 5.191 1.00 51.32 H new ATOM 0 HD13 ILE A 33 3.508 4.272 5.197 1.00 51.32 H new ATOM 555 N ASN A 34 1.504 2.416 9.841 1.00 12.33 N ATOM 556 CA ASN A 34 1.496 0.966 10.079 1.00 55.44 C ATOM 557 C ASN A 34 1.280 0.198 8.761 1.00 61.32 C ATOM 558 O ASN A 34 0.177 0.186 8.207 1.00 30.24 O ATOM 559 CB ASN A 34 0.399 0.608 11.098 1.00 12.02 C ATOM 560 CG ASN A 34 0.363 -0.871 11.470 1.00 74.04 C ATOM 561 OD1 ASN A 34 0.745 -1.742 10.692 1.00 12.24 O ATOM 562 ND2 ASN A 34 -0.117 -1.168 12.660 1.00 33.32 N ATOM 0 H ASN A 34 0.587 2.857 9.918 1.00 12.33 H new ATOM 0 HA ASN A 34 2.464 0.674 10.485 1.00 55.44 H new ATOM 0 HB2 ASN A 34 0.550 1.197 12.003 1.00 12.02 H new ATOM 0 HB3 ASN A 34 -0.570 0.894 10.690 1.00 12.02 H new ATOM 0 HD21 ASN A 34 -0.179 -2.142 12.956 1.00 33.32 H new ATOM 0 HD22 ASN A 34 -0.427 -0.424 13.285 1.00 33.32 H new ATOM 569 N LEU A 35 2.337 -0.444 8.268 1.00 71.14 N ATOM 570 CA LEU A 35 2.283 -1.175 6.996 1.00 52.33 C ATOM 571 C LEU A 35 1.732 -2.598 7.176 1.00 61.32 C ATOM 572 O LEU A 35 1.047 -3.119 6.293 1.00 13.04 O ATOM 573 CB LEU A 35 3.678 -1.241 6.356 1.00 4.53 C ATOM 574 CG LEU A 35 4.321 0.116 6.018 1.00 20.15 C ATOM 575 CD1 LEU A 35 5.725 -0.082 5.448 1.00 45.41 C ATOM 576 CD2 LEU A 35 3.445 0.904 5.041 1.00 34.11 C ATOM 0 H LEU A 35 3.246 -0.475 8.729 1.00 71.14 H new ATOM 0 HA LEU A 35 1.605 -0.630 6.340 1.00 52.33 H new ATOM 0 HB2 LEU A 35 4.343 -1.779 7.032 1.00 4.53 H new ATOM 0 HB3 LEU A 35 3.610 -1.829 5.440 1.00 4.53 H new ATOM 0 HG LEU A 35 4.404 0.693 6.939 1.00 20.15 H new ATOM 0 HD11 LEU A 35 6.163 0.888 5.215 1.00 45.41 H new ATOM 0 HD12 LEU A 35 6.347 -0.594 6.182 1.00 45.41 H new ATOM 0 HD13 LEU A 35 5.668 -0.682 4.540 1.00 45.41 H new ATOM 0 HD21 LEU A 35 3.919 1.859 4.816 1.00 34.11 H new ATOM 0 HD22 LEU A 35 3.324 0.334 4.120 1.00 34.11 H new ATOM 0 HD23 LEU A 35 2.468 1.081 5.490 1.00 34.11 H new ATOM 588 N ARG A 36 2.018 -3.226 8.320 1.00 63.53 N ATOM 589 CA ARG A 36 1.611 -4.621 8.537 1.00 65.11 C ATOM 590 C ARG A 36 0.084 -4.768 8.509 1.00 31.51 C ATOM 591 O ARG A 36 -0.441 -5.697 7.901 1.00 24.41 O ATOM 592 CB ARG A 36 2.142 -5.173 9.867 1.00 43.42 C ATOM 593 CG ARG A 36 2.190 -6.703 9.894 1.00 53.54 C ATOM 594 CD ARG A 36 2.258 -7.268 11.308 1.00 65.32 C ATOM 595 NE ARG A 36 0.948 -7.254 11.963 1.00 72.44 N ATOM 596 CZ ARG A 36 0.672 -7.892 13.068 1.00 32.12 C ATOM 597 NH1 ARG A 36 1.579 -8.588 13.674 1.00 22.43 N ATOM 598 NH2 ARG A 36 -0.525 -7.848 13.556 1.00 24.33 N ATOM 0 H ARG A 36 2.521 -2.801 9.099 1.00 63.53 H new ATOM 0 HA ARG A 36 2.045 -5.197 7.720 1.00 65.11 H new ATOM 0 HB2 ARG A 36 3.142 -4.779 10.046 1.00 43.42 H new ATOM 0 HB3 ARG A 36 1.510 -4.819 10.681 1.00 43.42 H new ATOM 0 HG2 ARG A 36 1.307 -7.098 9.392 1.00 53.54 H new ATOM 0 HG3 ARG A 36 3.057 -7.045 9.329 1.00 53.54 H new ATOM 0 HD2 ARG A 36 2.636 -8.290 11.273 1.00 65.32 H new ATOM 0 HD3 ARG A 36 2.966 -6.686 11.898 1.00 65.32 H new ATOM 0 HE ARG A 36 0.203 -6.710 11.527 1.00 72.44 H new ATOM 0 HH11 ARG A 36 2.522 -8.643 13.289 1.00 22.43 H new ATOM 0 HH12 ARG A 36 1.351 -9.082 14.537 1.00 22.43 H new ATOM 0 HH21 ARG A 36 -1.252 -7.315 13.078 1.00 24.33 H new ATOM 0 HH22 ARG A 36 -0.742 -8.346 14.419 1.00 24.33 H new ATOM 612 N LYS A 37 -0.621 -3.843 9.168 1.00 21.32 N ATOM 613 CA LYS A 37 -2.091 -3.869 9.200 1.00 75.40 C ATOM 614 C LYS A 37 -2.664 -3.872 7.775 1.00 20.11 C ATOM 615 O LYS A 37 -3.722 -4.440 7.518 1.00 22.33 O ATOM 616 CB LYS A 37 -2.636 -2.670 10.008 1.00 11.14 C ATOM 617 CG LYS A 37 -4.110 -2.798 10.422 1.00 61.44 C ATOM 618 CD LYS A 37 -5.090 -2.327 9.342 1.00 64.35 C ATOM 619 CE LYS A 37 -5.132 -0.807 9.232 1.00 12.14 C ATOM 620 NZ LYS A 37 -6.218 -0.343 8.332 1.00 50.34 N ATOM 0 H LYS A 37 -0.202 -3.070 9.685 1.00 21.32 H new ATOM 0 HA LYS A 37 -2.408 -4.787 9.695 1.00 75.40 H new ATOM 0 HB2 LYS A 37 -2.029 -2.547 10.905 1.00 11.14 H new ATOM 0 HB3 LYS A 37 -2.516 -1.764 9.415 1.00 11.14 H new ATOM 0 HG2 LYS A 37 -4.322 -3.839 10.665 1.00 61.44 H new ATOM 0 HG3 LYS A 37 -4.276 -2.218 11.330 1.00 61.44 H new ATOM 0 HD2 LYS A 37 -4.802 -2.752 8.381 1.00 64.35 H new ATOM 0 HD3 LYS A 37 -6.088 -2.702 9.570 1.00 64.35 H new ATOM 0 HE2 LYS A 37 -5.274 -0.376 10.223 1.00 12.14 H new ATOM 0 HE3 LYS A 37 -4.174 -0.444 8.861 1.00 12.14 H new ATOM 0 HZ1 LYS A 37 -6.148 0.687 8.205 1.00 50.34 H new ATOM 0 HZ2 LYS A 37 -6.128 -0.812 7.408 1.00 50.34 H new ATOM 0 HZ3 LYS A 37 -7.140 -0.578 8.751 1.00 50.34 H new ATOM 634 N ILE A 38 -1.944 -3.242 6.849 1.00 14.43 N ATOM 635 CA ILE A 38 -2.333 -3.235 5.437 1.00 31.32 C ATOM 636 C ILE A 38 -2.164 -4.632 4.816 1.00 52.50 C ATOM 637 O ILE A 38 -3.063 -5.141 4.144 1.00 30.11 O ATOM 638 CB ILE A 38 -1.495 -2.207 4.634 1.00 51.14 C ATOM 639 CG1 ILE A 38 -1.635 -0.804 5.248 1.00 34.13 C ATOM 640 CG2 ILE A 38 -1.901 -2.198 3.160 1.00 73.43 C ATOM 641 CD1 ILE A 38 -3.064 -0.302 5.317 1.00 75.23 C ATOM 0 H ILE A 38 -1.086 -2.728 7.050 1.00 14.43 H new ATOM 0 HA ILE A 38 -3.383 -2.948 5.388 1.00 31.32 H new ATOM 0 HB ILE A 38 -0.448 -2.505 4.689 1.00 51.14 H new ATOM 0 HG12 ILE A 38 -1.215 -0.815 6.254 1.00 34.13 H new ATOM 0 HG13 ILE A 38 -1.042 -0.101 4.663 1.00 34.13 H new ATOM 0 HG21 ILE A 38 -1.297 -1.468 2.621 1.00 73.43 H new ATOM 0 HG22 ILE A 38 -1.741 -3.188 2.733 1.00 73.43 H new ATOM 0 HG23 ILE A 38 -2.954 -1.932 3.074 1.00 73.43 H new ATOM 0 HD11 ILE A 38 -3.079 0.693 5.762 1.00 75.23 H new ATOM 0 HD12 ILE A 38 -3.483 -0.257 4.312 1.00 75.23 H new ATOM 0 HD13 ILE A 38 -3.659 -0.981 5.927 1.00 75.23 H new ATOM 653 N ALA A 39 -1.007 -5.250 5.065 1.00 14.23 N ATOM 654 CA ALA A 39 -0.722 -6.605 4.579 1.00 72.14 C ATOM 655 C ALA A 39 -1.728 -7.626 5.130 1.00 41.34 C ATOM 656 O ALA A 39 -2.214 -8.491 4.399 1.00 51.01 O ATOM 657 CB ALA A 39 0.703 -7.007 4.954 1.00 60.23 C ATOM 0 H ALA A 39 -0.248 -4.832 5.603 1.00 14.23 H new ATOM 0 HA ALA A 39 -0.819 -6.600 3.493 1.00 72.14 H new ATOM 0 HB1 ALA A 39 0.905 -8.014 4.589 1.00 60.23 H new ATOM 0 HB2 ALA A 39 1.409 -6.309 4.503 1.00 60.23 H new ATOM 0 HB3 ALA A 39 0.814 -6.985 6.038 1.00 60.23 H new ATOM 663 N GLU A 40 -2.050 -7.506 6.421 1.00 34.12 N ATOM 664 CA GLU A 40 -3.012 -8.403 7.078 1.00 14.31 C ATOM 665 C GLU A 40 -4.384 -8.383 6.384 1.00 44.34 C ATOM 666 O GLU A 40 -5.145 -9.351 6.469 1.00 54.21 O ATOM 667 CB GLU A 40 -3.178 -8.027 8.558 1.00 3.11 C ATOM 668 CG GLU A 40 -1.892 -8.127 9.370 1.00 13.43 C ATOM 669 CD GLU A 40 -2.118 -7.915 10.859 1.00 74.45 C ATOM 670 OE1 GLU A 40 -2.496 -8.885 11.551 1.00 32.34 O ATOM 671 OE2 GLU A 40 -1.918 -6.779 11.351 1.00 52.15 O ATOM 0 H GLU A 40 -1.658 -6.794 7.037 1.00 34.12 H new ATOM 0 HA GLU A 40 -2.609 -9.413 7.002 1.00 14.31 H new ATOM 0 HB2 GLU A 40 -3.559 -7.008 8.623 1.00 3.11 H new ATOM 0 HB3 GLU A 40 -3.930 -8.677 9.006 1.00 3.11 H new ATOM 0 HG2 GLU A 40 -1.443 -9.107 9.211 1.00 13.43 H new ATOM 0 HG3 GLU A 40 -1.179 -7.387 9.006 1.00 13.43 H new ATOM 678 N LEU A 41 -4.694 -7.287 5.697 1.00 72.34 N ATOM 679 CA LEU A 41 -5.973 -7.144 4.986 1.00 72.13 C ATOM 680 C LEU A 41 -5.970 -7.888 3.638 1.00 25.10 C ATOM 681 O LEU A 41 -7.024 -8.082 3.030 1.00 35.13 O ATOM 682 CB LEU A 41 -6.288 -5.657 4.763 1.00 64.44 C ATOM 683 CG LEU A 41 -6.481 -4.824 6.042 1.00 5.23 C ATOM 684 CD1 LEU A 41 -6.673 -3.346 5.703 1.00 12.43 C ATOM 685 CD2 LEU A 41 -7.663 -5.348 6.856 1.00 22.33 C ATOM 0 H LEU A 41 -4.078 -6.478 5.614 1.00 72.34 H new ATOM 0 HA LEU A 41 -6.746 -7.593 5.609 1.00 72.13 H new ATOM 0 HB2 LEU A 41 -5.479 -5.215 4.181 1.00 64.44 H new ATOM 0 HB3 LEU A 41 -7.193 -5.581 4.160 1.00 64.44 H new ATOM 0 HG LEU A 41 -5.580 -4.920 6.648 1.00 5.23 H new ATOM 0 HD11 LEU A 41 -6.808 -2.776 6.622 1.00 12.43 H new ATOM 0 HD12 LEU A 41 -5.795 -2.977 5.173 1.00 12.43 H new ATOM 0 HD13 LEU A 41 -7.554 -3.229 5.071 1.00 12.43 H new ATOM 0 HD21 LEU A 41 -7.781 -4.744 7.756 1.00 22.33 H new ATOM 0 HD22 LEU A 41 -8.572 -5.289 6.257 1.00 22.33 H new ATOM 0 HD23 LEU A 41 -7.480 -6.385 7.136 1.00 22.33 H new ATOM 697 N MET A 42 -4.792 -8.320 3.187 1.00 4.23 N ATOM 698 CA MET A 42 -4.653 -8.991 1.886 1.00 42.14 C ATOM 699 C MET A 42 -4.399 -10.507 2.045 1.00 64.45 C ATOM 700 O MET A 42 -3.251 -10.954 2.134 1.00 74.54 O ATOM 701 CB MET A 42 -3.508 -8.341 1.094 1.00 54.13 C ATOM 702 CG MET A 42 -3.624 -6.823 0.984 1.00 23.11 C ATOM 703 SD MET A 42 -2.326 -6.090 -0.029 1.00 44.22 S ATOM 704 CE MET A 42 -2.712 -6.785 -1.631 1.00 22.05 C ATOM 0 H MET A 42 -3.917 -8.219 3.701 1.00 4.23 H new ATOM 0 HA MET A 42 -5.591 -8.874 1.343 1.00 42.14 H new ATOM 0 HB2 MET A 42 -2.560 -8.591 1.571 1.00 54.13 H new ATOM 0 HB3 MET A 42 -3.483 -8.768 0.092 1.00 54.13 H new ATOM 0 HG2 MET A 42 -4.595 -6.568 0.561 1.00 23.11 H new ATOM 0 HG3 MET A 42 -3.587 -6.388 1.983 1.00 23.11 H new ATOM 0 HE1 MET A 42 -2.521 -6.042 -2.405 1.00 22.05 H new ATOM 0 HE2 MET A 42 -2.088 -7.661 -1.807 1.00 22.05 H new ATOM 0 HE3 MET A 42 -3.762 -7.076 -1.658 1.00 22.05 H new ATOM 714 N PRO A 43 -5.471 -11.325 2.080 1.00 10.41 N ATOM 715 CA PRO A 43 -5.355 -12.784 2.288 1.00 50.44 C ATOM 716 C PRO A 43 -4.750 -13.532 1.084 1.00 33.12 C ATOM 717 O PRO A 43 -5.416 -13.735 0.062 1.00 20.20 O ATOM 718 CB PRO A 43 -6.809 -13.219 2.524 1.00 43.01 C ATOM 719 CG PRO A 43 -7.627 -12.206 1.796 1.00 32.53 C ATOM 720 CD PRO A 43 -6.878 -10.904 1.924 1.00 40.30 C ATOM 0 HA PRO A 43 -4.678 -13.018 3.110 1.00 50.44 H new ATOM 0 HB2 PRO A 43 -6.989 -14.224 2.141 1.00 43.01 H new ATOM 0 HB3 PRO A 43 -7.051 -13.234 3.587 1.00 43.01 H new ATOM 0 HG2 PRO A 43 -7.752 -12.484 0.749 1.00 32.53 H new ATOM 0 HG3 PRO A 43 -8.625 -12.127 2.227 1.00 32.53 H new ATOM 0 HD2 PRO A 43 -7.013 -10.276 1.043 1.00 40.30 H new ATOM 0 HD3 PRO A 43 -7.221 -10.327 2.783 1.00 40.30 H new ATOM 728 N GLY A 44 -3.483 -13.936 1.209 1.00 43.15 N ATOM 729 CA GLY A 44 -2.820 -14.701 0.153 1.00 62.15 C ATOM 730 C GLY A 44 -2.724 -13.962 -1.178 1.00 32.11 C ATOM 731 O GLY A 44 -2.866 -14.567 -2.241 1.00 63.51 O ATOM 0 H GLY A 44 -2.901 -13.747 2.025 1.00 43.15 H new ATOM 0 HA2 GLY A 44 -1.816 -14.964 0.485 1.00 62.15 H new ATOM 0 HA3 GLY A 44 -3.360 -15.635 0.001 1.00 62.15 H new ATOM 735 N ALA A 45 -2.486 -12.656 -1.119 1.00 2.21 N ATOM 736 CA ALA A 45 -2.340 -11.837 -2.328 1.00 2.13 C ATOM 737 C ALA A 45 -0.900 -11.885 -2.866 1.00 73.42 C ATOM 738 O ALA A 45 0.056 -11.980 -2.097 1.00 22.12 O ATOM 739 CB ALA A 45 -2.751 -10.400 -2.042 1.00 51.32 C ATOM 0 H ALA A 45 -2.389 -12.136 -0.247 1.00 2.21 H new ATOM 0 HA ALA A 45 -2.996 -12.248 -3.095 1.00 2.13 H new ATOM 0 HB1 ALA A 45 -2.638 -9.802 -2.947 1.00 51.32 H new ATOM 0 HB2 ALA A 45 -3.792 -10.377 -1.719 1.00 51.32 H new ATOM 0 HB3 ALA A 45 -2.118 -9.990 -1.255 1.00 51.32 H new ATOM 745 N SER A 46 -0.756 -11.817 -4.188 1.00 44.24 N ATOM 746 CA SER A 46 0.568 -11.881 -4.830 1.00 51.12 C ATOM 747 C SER A 46 1.133 -10.482 -5.105 1.00 61.24 C ATOM 748 O SER A 46 0.474 -9.467 -4.863 1.00 45.53 O ATOM 749 CB SER A 46 0.492 -12.658 -6.153 1.00 33.15 C ATOM 750 OG SER A 46 -0.201 -11.921 -7.149 1.00 2.31 O ATOM 0 H SER A 46 -1.534 -11.718 -4.840 1.00 44.24 H new ATOM 0 HA SER A 46 1.233 -12.397 -4.137 1.00 51.12 H new ATOM 0 HB2 SER A 46 1.500 -12.885 -6.502 1.00 33.15 H new ATOM 0 HB3 SER A 46 -0.010 -13.611 -5.988 1.00 33.15 H new ATOM 0 HG SER A 46 -1.139 -11.816 -6.885 1.00 2.31 H new ATOM 756 N GLY A 47 2.358 -10.439 -5.633 1.00 2.11 N ATOM 757 CA GLY A 47 3.003 -9.172 -5.958 1.00 64.32 C ATOM 758 C GLY A 47 2.183 -8.289 -6.898 1.00 15.33 C ATOM 759 O GLY A 47 2.297 -7.063 -6.856 1.00 42.15 O ATOM 0 H GLY A 47 2.919 -11.265 -5.843 1.00 2.11 H new ATOM 0 HA2 GLY A 47 3.195 -8.625 -5.035 1.00 64.32 H new ATOM 0 HA3 GLY A 47 3.971 -9.374 -6.416 1.00 64.32 H new ATOM 763 N ALA A 48 1.352 -8.906 -7.744 1.00 20.31 N ATOM 764 CA ALA A 48 0.492 -8.158 -8.672 1.00 5.11 C ATOM 765 C ALA A 48 -0.575 -7.346 -7.917 1.00 41.43 C ATOM 766 O ALA A 48 -0.779 -6.160 -8.190 1.00 74.22 O ATOM 767 CB ALA A 48 -0.165 -9.113 -9.665 1.00 13.51 C ATOM 0 H ALA A 48 1.255 -9.919 -7.807 1.00 20.31 H new ATOM 0 HA ALA A 48 1.118 -7.453 -9.220 1.00 5.11 H new ATOM 0 HB1 ALA A 48 -0.800 -8.548 -10.348 1.00 13.51 H new ATOM 0 HB2 ALA A 48 0.606 -9.634 -10.233 1.00 13.51 H new ATOM 0 HB3 ALA A 48 -0.771 -9.840 -9.124 1.00 13.51 H new ATOM 773 N GLU A 49 -1.249 -7.989 -6.961 1.00 33.12 N ATOM 774 CA GLU A 49 -2.246 -7.307 -6.123 1.00 2.31 C ATOM 775 C GLU A 49 -1.582 -6.234 -5.246 1.00 50.23 C ATOM 776 O GLU A 49 -2.055 -5.097 -5.165 1.00 44.22 O ATOM 777 CB GLU A 49 -3.002 -8.311 -5.230 1.00 72.40 C ATOM 778 CG GLU A 49 -3.918 -9.277 -5.984 1.00 12.14 C ATOM 779 CD GLU A 49 -3.160 -10.344 -6.757 1.00 24.35 C ATOM 780 OE1 GLU A 49 -2.862 -11.407 -6.171 1.00 24.50 O ATOM 781 OE2 GLU A 49 -2.850 -10.125 -7.943 1.00 2.24 O ATOM 0 H GLU A 49 -1.125 -8.978 -6.746 1.00 33.12 H new ATOM 0 HA GLU A 49 -2.960 -6.827 -6.791 1.00 2.31 H new ATOM 0 HB2 GLU A 49 -2.274 -8.891 -4.663 1.00 72.40 H new ATOM 0 HB3 GLU A 49 -3.600 -7.755 -4.508 1.00 72.40 H new ATOM 0 HG2 GLU A 49 -4.589 -9.760 -5.273 1.00 12.14 H new ATOM 0 HG3 GLU A 49 -4.541 -8.711 -6.676 1.00 12.14 H new ATOM 788 N VAL A 50 -0.476 -6.604 -4.603 1.00 34.14 N ATOM 789 CA VAL A 50 0.257 -5.685 -3.720 1.00 54.54 C ATOM 790 C VAL A 50 0.789 -4.458 -4.486 1.00 5.32 C ATOM 791 O VAL A 50 0.717 -3.329 -3.997 1.00 54.20 O ATOM 792 CB VAL A 50 1.435 -6.399 -3.008 1.00 35.33 C ATOM 793 CG1 VAL A 50 2.151 -5.444 -2.053 1.00 55.11 C ATOM 794 CG2 VAL A 50 0.941 -7.645 -2.268 1.00 24.22 C ATOM 0 H VAL A 50 -0.064 -7.534 -4.674 1.00 34.14 H new ATOM 0 HA VAL A 50 -0.456 -5.345 -2.969 1.00 54.54 H new ATOM 0 HB VAL A 50 2.152 -6.716 -3.766 1.00 35.33 H new ATOM 0 HG11 VAL A 50 2.974 -5.967 -1.565 1.00 55.11 H new ATOM 0 HG12 VAL A 50 2.542 -4.595 -2.613 1.00 55.11 H new ATOM 0 HG13 VAL A 50 1.448 -5.089 -1.299 1.00 55.11 H new ATOM 0 HG21 VAL A 50 1.782 -8.132 -1.775 1.00 24.22 H new ATOM 0 HG22 VAL A 50 0.201 -7.356 -1.522 1.00 24.22 H new ATOM 0 HG23 VAL A 50 0.488 -8.335 -2.980 1.00 24.22 H new ATOM 804 N LYS A 51 1.326 -4.685 -5.686 1.00 2.25 N ATOM 805 CA LYS A 51 1.787 -3.587 -6.546 1.00 12.13 C ATOM 806 C LYS A 51 0.608 -2.694 -6.959 1.00 44.25 C ATOM 807 O LYS A 51 0.752 -1.477 -7.093 1.00 62.24 O ATOM 808 CB LYS A 51 2.514 -4.135 -7.783 1.00 72.33 C ATOM 809 CG LYS A 51 3.092 -3.053 -8.697 1.00 64.45 C ATOM 810 CD LYS A 51 3.998 -3.642 -9.779 1.00 63.53 C ATOM 811 CE LYS A 51 3.254 -4.609 -10.694 1.00 71.42 C ATOM 812 NZ LYS A 51 2.193 -3.931 -11.486 1.00 21.43 N ATOM 0 H LYS A 51 1.453 -5.615 -6.086 1.00 2.25 H new ATOM 0 HA LYS A 51 2.493 -2.980 -5.979 1.00 12.13 H new ATOM 0 HB2 LYS A 51 3.322 -4.789 -7.456 1.00 72.33 H new ATOM 0 HB3 LYS A 51 1.820 -4.748 -8.357 1.00 72.33 H new ATOM 0 HG2 LYS A 51 2.277 -2.502 -9.167 1.00 64.45 H new ATOM 0 HG3 LYS A 51 3.658 -2.338 -8.100 1.00 64.45 H new ATOM 0 HD2 LYS A 51 4.421 -2.833 -10.375 1.00 63.53 H new ATOM 0 HD3 LYS A 51 4.833 -4.161 -9.308 1.00 63.53 H new ATOM 0 HE2 LYS A 51 3.964 -5.083 -11.372 1.00 71.42 H new ATOM 0 HE3 LYS A 51 2.807 -5.402 -10.095 1.00 71.42 H new ATOM 0 HZ1 LYS A 51 1.783 -4.604 -12.165 1.00 21.43 H new ATOM 0 HZ2 LYS A 51 1.448 -3.588 -10.846 1.00 21.43 H new ATOM 0 HZ3 LYS A 51 2.605 -3.127 -12.001 1.00 21.43 H new ATOM 826 N GLY A 52 -0.560 -3.311 -7.149 1.00 1.45 N ATOM 827 CA GLY A 52 -1.780 -2.551 -7.393 1.00 75.22 C ATOM 828 C GLY A 52 -2.125 -1.623 -6.231 1.00 75.25 C ATOM 829 O GLY A 52 -2.427 -0.446 -6.429 1.00 64.43 O ATOM 0 H GLY A 52 -0.683 -4.323 -7.138 1.00 1.45 H new ATOM 0 HA2 GLY A 52 -1.663 -1.963 -8.303 1.00 75.22 H new ATOM 0 HA3 GLY A 52 -2.607 -3.240 -7.563 1.00 75.22 H new ATOM 833 N VAL A 53 -2.068 -2.162 -5.012 1.00 72.31 N ATOM 834 CA VAL A 53 -2.276 -1.372 -3.794 1.00 23.14 C ATOM 835 C VAL A 53 -1.269 -0.211 -3.704 1.00 41.15 C ATOM 836 O VAL A 53 -1.644 0.928 -3.429 1.00 1.20 O ATOM 837 CB VAL A 53 -2.153 -2.257 -2.523 1.00 2.43 C ATOM 838 CG1 VAL A 53 -2.261 -1.418 -1.248 1.00 33.30 C ATOM 839 CG2 VAL A 53 -3.208 -3.363 -2.536 1.00 13.20 C ATOM 0 H VAL A 53 -1.878 -3.149 -4.840 1.00 72.31 H new ATOM 0 HA VAL A 53 -3.285 -0.964 -3.847 1.00 23.14 H new ATOM 0 HB VAL A 53 -1.166 -2.720 -2.531 1.00 2.43 H new ATOM 0 HG11 VAL A 53 -2.171 -2.067 -0.377 1.00 33.30 H new ATOM 0 HG12 VAL A 53 -1.463 -0.676 -1.232 1.00 33.30 H new ATOM 0 HG13 VAL A 53 -3.226 -0.913 -1.226 1.00 33.30 H new ATOM 0 HG21 VAL A 53 -3.107 -3.973 -1.638 1.00 13.20 H new ATOM 0 HG22 VAL A 53 -4.202 -2.917 -2.562 1.00 13.20 H new ATOM 0 HG23 VAL A 53 -3.068 -3.989 -3.417 1.00 13.20 H new ATOM 849 N CYS A 54 0.007 -0.510 -3.950 1.00 52.32 N ATOM 850 CA CYS A 54 1.067 0.507 -3.911 1.00 74.43 C ATOM 851 C CYS A 54 0.773 1.662 -4.880 1.00 53.13 C ATOM 852 O CYS A 54 0.892 2.837 -4.524 1.00 14.24 O ATOM 853 CB CYS A 54 2.422 -0.123 -4.258 1.00 12.41 C ATOM 854 SG CYS A 54 2.929 -1.470 -3.160 1.00 5.44 S ATOM 0 H CYS A 54 0.335 -1.448 -4.179 1.00 52.32 H new ATOM 0 HA CYS A 54 1.101 0.909 -2.898 1.00 74.43 H new ATOM 0 HB2 CYS A 54 2.382 -0.500 -5.280 1.00 12.41 H new ATOM 0 HB3 CYS A 54 3.186 0.654 -4.235 1.00 12.41 H new ATOM 0 HG CYS A 54 2.103 -2.466 -3.285 1.00 5.44 H new ATOM 860 N THR A 55 0.380 1.320 -6.105 1.00 64.41 N ATOM 861 CA THR A 55 0.084 2.323 -7.137 1.00 53.42 C ATOM 862 C THR A 55 -1.136 3.177 -6.763 1.00 11.13 C ATOM 863 O THR A 55 -1.066 4.409 -6.740 1.00 45.02 O ATOM 864 CB THR A 55 -0.181 1.659 -8.512 1.00 1.54 C ATOM 865 OG1 THR A 55 0.906 0.785 -8.855 1.00 52.20 O ATOM 866 CG2 THR A 55 -0.356 2.705 -9.611 1.00 13.15 C ATOM 0 H THR A 55 0.258 0.355 -6.412 1.00 64.41 H new ATOM 0 HA THR A 55 0.964 2.962 -7.205 1.00 53.42 H new ATOM 0 HB THR A 55 -1.105 1.086 -8.431 1.00 1.54 H new ATOM 0 HG1 THR A 55 0.889 -0.002 -8.272 1.00 52.20 H new ATOM 0 HG21 THR A 55 -0.540 2.206 -10.562 1.00 13.15 H new ATOM 0 HG22 THR A 55 -1.202 3.349 -9.369 1.00 13.15 H new ATOM 0 HG23 THR A 55 0.549 3.308 -9.687 1.00 13.15 H new ATOM 874 N GLU A 56 -2.247 2.511 -6.445 1.00 60.24 N ATOM 875 CA GLU A 56 -3.510 3.197 -6.157 1.00 55.24 C ATOM 876 C GLU A 56 -3.452 4.001 -4.848 1.00 11.44 C ATOM 877 O GLU A 56 -4.109 5.036 -4.722 1.00 52.54 O ATOM 878 CB GLU A 56 -4.664 2.186 -6.126 1.00 45.00 C ATOM 879 CG GLU A 56 -4.854 1.432 -7.443 1.00 44.33 C ATOM 880 CD GLU A 56 -5.132 2.354 -8.625 1.00 1.14 C ATOM 881 OE1 GLU A 56 -4.168 2.823 -9.268 1.00 32.33 O ATOM 882 OE2 GLU A 56 -6.315 2.615 -8.917 1.00 3.52 O ATOM 0 H GLU A 56 -2.299 1.494 -6.380 1.00 60.24 H new ATOM 0 HA GLU A 56 -3.685 3.914 -6.959 1.00 55.24 H new ATOM 0 HB2 GLU A 56 -4.484 1.466 -5.328 1.00 45.00 H new ATOM 0 HB3 GLU A 56 -5.588 2.710 -5.880 1.00 45.00 H new ATOM 0 HG2 GLU A 56 -3.960 0.844 -7.651 1.00 44.33 H new ATOM 0 HG3 GLU A 56 -5.680 0.729 -7.336 1.00 44.33 H new ATOM 889 N ALA A 57 -2.663 3.531 -3.880 1.00 23.31 N ATOM 890 CA ALA A 57 -2.440 4.285 -2.638 1.00 50.04 C ATOM 891 C ALA A 57 -1.887 5.682 -2.945 1.00 13.22 C ATOM 892 O ALA A 57 -2.360 6.688 -2.410 1.00 5.32 O ATOM 893 CB ALA A 57 -1.488 3.529 -1.719 1.00 34.14 C ATOM 0 H ALA A 57 -2.170 2.639 -3.928 1.00 23.31 H new ATOM 0 HA ALA A 57 -3.398 4.398 -2.130 1.00 50.04 H new ATOM 0 HB1 ALA A 57 -1.334 4.101 -0.804 1.00 34.14 H new ATOM 0 HB2 ALA A 57 -1.916 2.558 -1.471 1.00 34.14 H new ATOM 0 HB3 ALA A 57 -0.532 3.386 -2.223 1.00 34.14 H new ATOM 899 N GLY A 58 -0.889 5.730 -3.828 1.00 54.15 N ATOM 900 CA GLY A 58 -0.348 7.002 -4.287 1.00 0.32 C ATOM 901 C GLY A 58 -1.403 7.879 -4.955 1.00 64.21 C ATOM 902 O GLY A 58 -1.357 9.100 -4.848 1.00 2.11 O ATOM 0 H GLY A 58 -0.444 4.907 -4.235 1.00 54.15 H new ATOM 0 HA2 GLY A 58 0.081 7.537 -3.440 1.00 0.32 H new ATOM 0 HA3 GLY A 58 0.463 6.815 -4.991 1.00 0.32 H new ATOM 906 N MET A 59 -2.363 7.253 -5.635 1.00 2.31 N ATOM 907 CA MET A 59 -3.465 7.986 -6.276 1.00 23.43 C ATOM 908 C MET A 59 -4.364 8.660 -5.224 1.00 33.33 C ATOM 909 O MET A 59 -4.732 9.831 -5.362 1.00 4.34 O ATOM 910 CB MET A 59 -4.304 7.039 -7.150 1.00 21.52 C ATOM 911 CG MET A 59 -3.508 6.270 -8.206 1.00 43.12 C ATOM 912 SD MET A 59 -3.346 7.149 -9.783 1.00 4.30 S ATOM 913 CE MET A 59 -2.292 8.530 -9.343 1.00 30.13 C ATOM 0 H MET A 59 -2.404 6.241 -5.759 1.00 2.31 H new ATOM 0 HA MET A 59 -3.029 8.761 -6.907 1.00 23.43 H new ATOM 0 HB2 MET A 59 -4.810 6.322 -6.503 1.00 21.52 H new ATOM 0 HB3 MET A 59 -5.079 7.620 -7.650 1.00 21.52 H new ATOM 0 HG2 MET A 59 -2.513 6.058 -7.815 1.00 43.12 H new ATOM 0 HG3 MET A 59 -3.992 5.309 -8.384 1.00 43.12 H new ATOM 0 HE1 MET A 59 -1.695 8.822 -10.207 1.00 30.13 H new ATOM 0 HE2 MET A 59 -2.908 9.371 -9.026 1.00 30.13 H new ATOM 0 HE3 MET A 59 -1.630 8.237 -8.528 1.00 30.13 H new ATOM 923 N TYR A 60 -4.713 7.913 -4.173 1.00 63.45 N ATOM 924 CA TYR A 60 -5.510 8.453 -3.061 1.00 51.01 C ATOM 925 C TYR A 60 -4.756 9.560 -2.309 1.00 31.23 C ATOM 926 O TYR A 60 -5.365 10.488 -1.770 1.00 4.42 O ATOM 927 CB TYR A 60 -5.925 7.334 -2.093 1.00 44.24 C ATOM 928 CG TYR A 60 -7.077 6.488 -2.610 1.00 4.34 C ATOM 929 CD1 TYR A 60 -8.394 6.918 -2.465 1.00 44.32 C ATOM 930 CD2 TYR A 60 -6.852 5.276 -3.253 1.00 23.04 C ATOM 931 CE1 TYR A 60 -9.448 6.163 -2.943 1.00 72.43 C ATOM 932 CE2 TYR A 60 -7.901 4.521 -3.736 1.00 31.10 C ATOM 933 CZ TYR A 60 -9.195 4.968 -3.579 1.00 60.13 C ATOM 934 OH TYR A 60 -10.242 4.216 -4.063 1.00 54.33 O ATOM 0 H TYR A 60 -4.457 6.931 -4.066 1.00 63.45 H new ATOM 0 HA TYR A 60 -6.410 8.895 -3.490 1.00 51.01 H new ATOM 0 HB2 TYR A 60 -5.066 6.690 -1.904 1.00 44.24 H new ATOM 0 HB3 TYR A 60 -6.208 7.776 -1.138 1.00 44.24 H new ATOM 0 HD1 TYR A 60 -8.595 7.857 -1.971 1.00 44.32 H new ATOM 0 HD2 TYR A 60 -5.840 4.920 -3.376 1.00 23.04 H new ATOM 0 HE1 TYR A 60 -10.464 6.508 -2.819 1.00 72.43 H new ATOM 0 HE2 TYR A 60 -7.709 3.583 -4.235 1.00 31.10 H new ATOM 0 HH TYR A 60 -10.980 4.808 -4.317 1.00 54.33 H new ATOM 944 N ALA A 61 -3.437 9.463 -2.270 1.00 24.44 N ATOM 945 CA ALA A 61 -2.611 10.528 -1.702 1.00 30.44 C ATOM 946 C ALA A 61 -2.573 11.764 -2.620 1.00 2.33 C ATOM 947 O ALA A 61 -2.858 12.884 -2.190 1.00 62.20 O ATOM 948 CB ALA A 61 -1.200 10.013 -1.437 1.00 60.43 C ATOM 0 H ALA A 61 -2.912 8.662 -2.622 1.00 24.44 H new ATOM 0 HA ALA A 61 -3.060 10.835 -0.757 1.00 30.44 H new ATOM 0 HB1 ALA A 61 -0.594 10.814 -1.014 1.00 60.43 H new ATOM 0 HB2 ALA A 61 -1.242 9.181 -0.734 1.00 60.43 H new ATOM 0 HB3 ALA A 61 -0.754 9.676 -2.373 1.00 60.43 H new ATOM 954 N LEU A 62 -2.245 11.546 -3.894 1.00 74.11 N ATOM 955 CA LEU A 62 -2.072 12.640 -4.862 1.00 31.35 C ATOM 956 C LEU A 62 -3.368 13.427 -5.117 1.00 75.11 C ATOM 957 O LEU A 62 -3.314 14.615 -5.437 1.00 72.34 O ATOM 958 CB LEU A 62 -1.507 12.104 -6.188 1.00 71.33 C ATOM 959 CG LEU A 62 -0.072 11.552 -6.116 1.00 34.34 C ATOM 960 CD1 LEU A 62 0.385 11.044 -7.481 1.00 21.30 C ATOM 961 CD2 LEU A 62 0.888 12.616 -5.587 1.00 41.23 C ATOM 0 H LEU A 62 -2.092 10.617 -4.286 1.00 74.11 H new ATOM 0 HA LEU A 62 -1.361 13.336 -4.418 1.00 31.35 H new ATOM 0 HB2 LEU A 62 -2.165 11.314 -6.551 1.00 71.33 H new ATOM 0 HB3 LEU A 62 -1.534 12.906 -6.926 1.00 71.33 H new ATOM 0 HG LEU A 62 -0.067 10.710 -5.423 1.00 34.34 H new ATOM 0 HD11 LEU A 62 1.402 10.659 -7.404 1.00 21.30 H new ATOM 0 HD12 LEU A 62 -0.280 10.248 -7.814 1.00 21.30 H new ATOM 0 HD13 LEU A 62 0.360 11.862 -8.201 1.00 21.30 H new ATOM 0 HD21 LEU A 62 1.897 12.206 -5.544 1.00 41.23 H new ATOM 0 HD22 LEU A 62 0.875 13.480 -6.251 1.00 41.23 H new ATOM 0 HD23 LEU A 62 0.577 12.922 -4.588 1.00 41.23 H new ATOM 973 N ARG A 63 -4.530 12.781 -4.974 1.00 53.33 N ATOM 974 CA ARG A 63 -5.815 13.488 -5.127 1.00 64.42 C ATOM 975 C ARG A 63 -5.961 14.602 -4.075 1.00 21.22 C ATOM 976 O ARG A 63 -6.526 15.658 -4.350 1.00 50.25 O ATOM 977 CB ARG A 63 -7.003 12.516 -5.049 1.00 60.42 C ATOM 978 CG ARG A 63 -7.104 11.759 -3.734 1.00 44.01 C ATOM 979 CD ARG A 63 -8.316 10.834 -3.696 1.00 71.32 C ATOM 980 NE ARG A 63 -9.571 11.577 -3.670 1.00 33.45 N ATOM 981 CZ ARG A 63 -10.684 11.166 -4.202 1.00 74.44 C ATOM 982 NH1 ARG A 63 -10.728 10.046 -4.854 1.00 5.25 N ATOM 983 NH2 ARG A 63 -11.753 11.881 -4.082 1.00 43.00 N ATOM 0 H ARG A 63 -4.613 11.788 -4.756 1.00 53.33 H new ATOM 0 HA ARG A 63 -5.819 13.946 -6.116 1.00 64.42 H new ATOM 0 HB2 ARG A 63 -7.926 13.075 -5.206 1.00 60.42 H new ATOM 0 HB3 ARG A 63 -6.924 11.797 -5.864 1.00 60.42 H new ATOM 0 HG2 ARG A 63 -6.197 11.174 -3.583 1.00 44.01 H new ATOM 0 HG3 ARG A 63 -7.166 12.470 -2.910 1.00 44.01 H new ATOM 0 HD2 ARG A 63 -8.300 10.180 -4.568 1.00 71.32 H new ATOM 0 HD3 ARG A 63 -8.256 10.194 -2.816 1.00 71.32 H new ATOM 0 HE ARG A 63 -9.576 12.483 -3.201 1.00 33.45 H new ATOM 0 HH11 ARG A 63 -9.885 9.480 -4.953 1.00 5.25 H new ATOM 0 HH12 ARG A 63 -11.605 9.731 -5.268 1.00 5.25 H new ATOM 0 HH21 ARG A 63 -11.722 12.764 -3.572 1.00 43.00 H new ATOM 0 HH22 ARG A 63 -12.629 11.563 -4.498 1.00 43.00 H new ATOM 997 N GLU A 64 -5.434 14.358 -2.874 1.00 1.23 N ATOM 998 CA GLU A 64 -5.373 15.388 -1.827 1.00 61.24 C ATOM 999 C GLU A 64 -4.010 16.096 -1.834 1.00 51.12 C ATOM 1000 O GLU A 64 -3.683 16.857 -0.922 1.00 33.43 O ATOM 1001 CB GLU A 64 -5.627 14.770 -0.444 1.00 1.43 C ATOM 1002 CG GLU A 64 -7.044 14.234 -0.251 1.00 73.44 C ATOM 1003 CD GLU A 64 -7.357 13.916 1.204 1.00 44.33 C ATOM 1004 OE1 GLU A 64 -6.826 14.615 2.095 1.00 72.34 O ATOM 1005 OE2 GLU A 64 -8.136 12.977 1.468 1.00 42.54 O ATOM 0 H GLU A 64 -5.042 13.457 -2.599 1.00 1.23 H new ATOM 0 HA GLU A 64 -6.151 16.122 -2.037 1.00 61.24 H new ATOM 0 HB2 GLU A 64 -4.918 13.957 -0.285 1.00 1.43 H new ATOM 0 HB3 GLU A 64 -5.427 15.521 0.320 1.00 1.43 H new ATOM 0 HG2 GLU A 64 -7.760 14.968 -0.620 1.00 73.44 H new ATOM 0 HG3 GLU A 64 -7.173 13.334 -0.852 1.00 73.44 H new ATOM 1012 N ARG A 65 -3.220 15.825 -2.873 1.00 64.25 N ATOM 1013 CA ARG A 65 -1.884 16.409 -3.039 1.00 53.43 C ATOM 1014 C ARG A 65 -0.944 16.046 -1.874 1.00 23.44 C ATOM 1015 O ARG A 65 0.024 16.756 -1.601 1.00 5.32 O ATOM 1016 CB ARG A 65 -1.990 17.933 -3.221 1.00 10.10 C ATOM 1017 CG ARG A 65 -2.823 18.335 -4.438 1.00 63.11 C ATOM 1018 CD ARG A 65 -2.267 17.729 -5.727 1.00 51.31 C ATOM 1019 NE ARG A 65 -3.151 17.939 -6.875 1.00 32.02 N ATOM 1020 CZ ARG A 65 -3.162 17.176 -7.937 1.00 4.44 C ATOM 1021 NH1 ARG A 65 -2.391 16.136 -8.007 1.00 31.12 N ATOM 1022 NH2 ARG A 65 -3.964 17.436 -8.919 1.00 42.24 N ATOM 0 H ARG A 65 -3.487 15.192 -3.627 1.00 64.25 H new ATOM 0 HA ARG A 65 -1.442 15.981 -3.939 1.00 53.43 H new ATOM 0 HB2 ARG A 65 -2.432 18.370 -2.325 1.00 10.10 H new ATOM 0 HB3 ARG A 65 -0.988 18.352 -3.319 1.00 10.10 H new ATOM 0 HG2 ARG A 65 -3.854 18.009 -4.298 1.00 63.11 H new ATOM 0 HG3 ARG A 65 -2.841 19.421 -4.524 1.00 63.11 H new ATOM 0 HD2 ARG A 65 -1.292 18.167 -5.939 1.00 51.31 H new ATOM 0 HD3 ARG A 65 -2.111 16.660 -5.584 1.00 51.31 H new ATOM 0 HE ARG A 65 -3.797 18.728 -6.845 1.00 32.02 H new ATOM 0 HH11 ARG A 65 -1.770 15.908 -7.230 1.00 31.12 H new ATOM 0 HH12 ARG A 65 -2.405 15.546 -8.839 1.00 31.12 H new ATOM 0 HH21 ARG A 65 -4.591 18.239 -8.867 1.00 42.24 H new ATOM 0 HH22 ARG A 65 -3.969 16.838 -9.745 1.00 42.24 H new ATOM 1036 N ARG A 66 -1.225 14.920 -1.214 1.00 21.41 N ATOM 1037 CA ARG A 66 -0.361 14.404 -0.144 1.00 24.14 C ATOM 1038 C ARG A 66 0.999 13.958 -0.706 1.00 50.11 C ATOM 1039 O ARG A 66 1.065 13.032 -1.515 1.00 70.22 O ATOM 1040 CB ARG A 66 -1.025 13.202 0.557 1.00 63.41 C ATOM 1041 CG ARG A 66 -2.378 13.497 1.199 1.00 63.52 C ATOM 1042 CD ARG A 66 -2.988 12.237 1.823 1.00 73.51 C ATOM 1043 NE ARG A 66 -4.260 12.508 2.494 1.00 44.02 N ATOM 1044 CZ ARG A 66 -5.109 11.586 2.879 1.00 65.14 C ATOM 1045 NH1 ARG A 66 -4.872 10.333 2.670 1.00 64.31 N ATOM 1046 NH2 ARG A 66 -6.205 11.929 3.471 1.00 61.43 N ATOM 0 H ARG A 66 -2.046 14.345 -1.401 1.00 21.41 H new ATOM 0 HA ARG A 66 -0.210 15.210 0.574 1.00 24.14 H new ATOM 0 HB2 ARG A 66 -1.152 12.401 -0.171 1.00 63.41 H new ATOM 0 HB3 ARG A 66 -0.348 12.830 1.326 1.00 63.41 H new ATOM 0 HG2 ARG A 66 -2.259 14.263 1.965 1.00 63.52 H new ATOM 0 HG3 ARG A 66 -3.059 13.899 0.448 1.00 63.52 H new ATOM 0 HD2 ARG A 66 -3.142 11.488 1.046 1.00 73.51 H new ATOM 0 HD3 ARG A 66 -2.285 11.813 2.540 1.00 73.51 H new ATOM 0 HE ARG A 66 -4.503 13.482 2.675 1.00 44.02 H new ATOM 0 HH11 ARG A 66 -4.013 10.048 2.199 1.00 64.31 H new ATOM 0 HH12 ARG A 66 -5.544 9.629 2.976 1.00 64.31 H new ATOM 0 HH21 ARG A 66 -6.408 12.915 3.638 1.00 61.43 H new ATOM 0 HH22 ARG A 66 -6.868 11.214 3.772 1.00 61.43 H new ATOM 1060 N VAL A 67 2.077 14.619 -0.291 1.00 2.44 N ATOM 1061 CA VAL A 67 3.425 14.203 -0.694 1.00 73.15 C ATOM 1062 C VAL A 67 3.826 12.920 0.047 1.00 14.35 C ATOM 1063 O VAL A 67 4.501 12.047 -0.500 1.00 12.24 O ATOM 1064 CB VAL A 67 4.477 15.309 -0.417 1.00 21.53 C ATOM 1065 CG1 VAL A 67 5.854 14.901 -0.947 1.00 43.24 C ATOM 1066 CG2 VAL A 67 4.033 16.643 -1.021 1.00 40.01 C ATOM 0 H VAL A 67 2.049 15.437 0.318 1.00 2.44 H new ATOM 0 HA VAL A 67 3.401 14.019 -1.768 1.00 73.15 H new ATOM 0 HB VAL A 67 4.558 15.435 0.663 1.00 21.53 H new ATOM 0 HG11 VAL A 67 6.573 15.694 -0.740 1.00 43.24 H new ATOM 0 HG12 VAL A 67 6.175 13.982 -0.456 1.00 43.24 H new ATOM 0 HG13 VAL A 67 5.796 14.736 -2.023 1.00 43.24 H new ATOM 0 HG21 VAL A 67 4.785 17.404 -0.815 1.00 40.01 H new ATOM 0 HG22 VAL A 67 3.914 16.533 -2.099 1.00 40.01 H new ATOM 0 HG23 VAL A 67 3.083 16.944 -0.580 1.00 40.01 H new ATOM 1076 N HIS A 68 3.402 12.825 1.306 1.00 52.33 N ATOM 1077 CA HIS A 68 3.623 11.633 2.123 1.00 42.42 C ATOM 1078 C HIS A 68 2.349 10.775 2.211 1.00 2.14 C ATOM 1079 O HIS A 68 1.383 11.144 2.884 1.00 4.31 O ATOM 1080 CB HIS A 68 4.085 12.042 3.525 1.00 71.22 C ATOM 1081 CG HIS A 68 5.402 12.757 3.527 1.00 42.51 C ATOM 1082 ND1 HIS A 68 5.520 14.130 3.554 1.00 51.43 N ATOM 1083 CD2 HIS A 68 6.666 12.277 3.489 1.00 40.23 C ATOM 1084 CE1 HIS A 68 6.795 14.462 3.529 1.00 11.45 C ATOM 1085 NE2 HIS A 68 7.511 13.359 3.489 1.00 62.03 N ATOM 0 H HIS A 68 2.897 13.569 1.787 1.00 52.33 H new ATOM 0 HA HIS A 68 4.399 11.032 1.649 1.00 42.42 H new ATOM 0 HB2 HIS A 68 3.329 12.685 3.977 1.00 71.22 H new ATOM 0 HB3 HIS A 68 4.161 11.152 4.150 1.00 71.22 H new ATOM 0 HD2 HIS A 68 6.956 11.237 3.463 1.00 40.23 H new ATOM 0 HE1 HIS A 68 7.186 15.469 3.540 1.00 11.45 H new ATOM 0 HE2 HIS A 68 8.530 13.315 3.462 1.00 62.03 H new ATOM 1094 N VAL A 69 2.360 9.637 1.520 1.00 3.31 N ATOM 1095 CA VAL A 69 1.225 8.708 1.511 1.00 4.33 C ATOM 1096 C VAL A 69 0.977 8.126 2.914 1.00 50.13 C ATOM 1097 O VAL A 69 1.922 7.789 3.636 1.00 30.42 O ATOM 1098 CB VAL A 69 1.460 7.545 0.509 1.00 22.23 C ATOM 1099 CG1 VAL A 69 0.214 6.666 0.381 1.00 71.55 C ATOM 1100 CG2 VAL A 69 1.895 8.086 -0.852 1.00 61.25 C ATOM 0 H VAL A 69 3.150 9.331 0.952 1.00 3.31 H new ATOM 0 HA VAL A 69 0.348 9.275 1.198 1.00 4.33 H new ATOM 0 HB VAL A 69 2.264 6.921 0.898 1.00 22.23 H new ATOM 0 HG11 VAL A 69 0.408 5.860 -0.327 1.00 71.55 H new ATOM 0 HG12 VAL A 69 -0.034 6.242 1.354 1.00 71.55 H new ATOM 0 HG13 VAL A 69 -0.621 7.269 0.025 1.00 71.55 H new ATOM 0 HG21 VAL A 69 2.055 7.255 -1.540 1.00 61.25 H new ATOM 0 HG22 VAL A 69 1.119 8.741 -1.248 1.00 61.25 H new ATOM 0 HG23 VAL A 69 2.822 8.648 -0.741 1.00 61.25 H new ATOM 1110 N THR A 70 -0.293 8.009 3.299 1.00 54.42 N ATOM 1111 CA THR A 70 -0.648 7.521 4.640 1.00 2.52 C ATOM 1112 C THR A 70 -1.180 6.086 4.601 1.00 35.11 C ATOM 1113 O THR A 70 -1.584 5.585 3.549 1.00 54.23 O ATOM 1114 CB THR A 70 -1.708 8.420 5.326 1.00 61.15 C ATOM 1115 OG1 THR A 70 -3.005 8.196 4.751 1.00 14.02 O ATOM 1116 CG2 THR A 70 -1.338 9.896 5.190 1.00 14.13 C ATOM 0 H THR A 70 -1.092 8.243 2.709 1.00 54.42 H new ATOM 0 HA THR A 70 0.275 7.551 5.218 1.00 2.52 H new ATOM 0 HB THR A 70 -1.734 8.159 6.384 1.00 61.15 H new ATOM 0 HG1 THR A 70 -2.949 8.278 3.776 1.00 14.02 H new ATOM 0 HG21 THR A 70 -2.096 10.508 5.679 1.00 14.13 H new ATOM 0 HG22 THR A 70 -0.370 10.073 5.660 1.00 14.13 H new ATOM 0 HG23 THR A 70 -1.283 10.162 4.134 1.00 14.13 H new ATOM 1124 N GLN A 71 -1.178 5.433 5.759 1.00 74.24 N ATOM 1125 CA GLN A 71 -1.699 4.070 5.902 1.00 5.23 C ATOM 1126 C GLN A 71 -3.125 3.944 5.339 1.00 22.03 C ATOM 1127 O GLN A 71 -3.470 2.953 4.686 1.00 72.23 O ATOM 1128 CB GLN A 71 -1.695 3.688 7.386 1.00 31.00 C ATOM 1129 CG GLN A 71 -2.291 2.320 7.678 1.00 24.14 C ATOM 1130 CD GLN A 71 -2.457 2.058 9.163 1.00 71.20 C ATOM 1131 OE1 GLN A 71 -2.666 2.978 9.947 1.00 21.24 O ATOM 1132 NE2 GLN A 71 -2.347 0.811 9.564 1.00 73.44 N ATOM 0 H GLN A 71 -0.816 5.830 6.626 1.00 74.24 H new ATOM 0 HA GLN A 71 -1.058 3.396 5.333 1.00 5.23 H new ATOM 0 HB2 GLN A 71 -0.669 3.711 7.753 1.00 31.00 H new ATOM 0 HB3 GLN A 71 -2.250 4.441 7.945 1.00 31.00 H new ATOM 0 HG2 GLN A 71 -3.261 2.239 7.188 1.00 24.14 H new ATOM 0 HG3 GLN A 71 -1.651 1.550 7.247 1.00 24.14 H new ATOM 0 HE21 GLN A 71 -2.173 0.070 8.885 1.00 73.44 H new ATOM 0 HE22 GLN A 71 -2.436 0.584 10.554 1.00 73.44 H new ATOM 1141 N GLU A 72 -3.937 4.966 5.587 1.00 13.13 N ATOM 1142 CA GLU A 72 -5.340 4.977 5.169 1.00 62.54 C ATOM 1143 C GLU A 72 -5.488 4.932 3.637 1.00 20.31 C ATOM 1144 O GLU A 72 -6.459 4.387 3.113 1.00 50.30 O ATOM 1145 CB GLU A 72 -6.036 6.213 5.748 1.00 33.44 C ATOM 1146 CG GLU A 72 -6.053 6.231 7.274 1.00 12.50 C ATOM 1147 CD GLU A 72 -6.563 7.540 7.849 1.00 74.12 C ATOM 1148 OE1 GLU A 72 -7.795 7.718 7.946 1.00 62.25 O ATOM 1149 OE2 GLU A 72 -5.733 8.399 8.209 1.00 5.00 O ATOM 0 H GLU A 72 -3.645 5.809 6.082 1.00 13.13 H new ATOM 0 HA GLU A 72 -5.817 4.077 5.557 1.00 62.54 H new ATOM 0 HB2 GLU A 72 -5.532 7.109 5.386 1.00 33.44 H new ATOM 0 HB3 GLU A 72 -7.061 6.252 5.379 1.00 33.44 H new ATOM 0 HG2 GLU A 72 -6.679 5.415 7.634 1.00 12.50 H new ATOM 0 HG3 GLU A 72 -5.045 6.047 7.645 1.00 12.50 H new ATOM 1156 N ASP A 73 -4.512 5.490 2.923 1.00 52.53 N ATOM 1157 CA ASP A 73 -4.506 5.432 1.457 1.00 72.15 C ATOM 1158 C ASP A 73 -4.247 3.998 0.961 1.00 14.32 C ATOM 1159 O ASP A 73 -4.869 3.534 0.000 1.00 23.23 O ATOM 1160 CB ASP A 73 -3.448 6.387 0.894 1.00 24.52 C ATOM 1161 CG ASP A 73 -3.729 7.836 1.258 1.00 43.32 C ATOM 1162 OD1 ASP A 73 -4.805 8.343 0.889 1.00 1.32 O ATOM 1163 OD2 ASP A 73 -2.881 8.469 1.929 1.00 65.00 O ATOM 0 H ASP A 73 -3.718 5.985 3.330 1.00 52.53 H new ATOM 0 HA ASP A 73 -5.489 5.741 1.101 1.00 72.15 H new ATOM 0 HB2 ASP A 73 -2.466 6.103 1.273 1.00 24.52 H new ATOM 0 HB3 ASP A 73 -3.412 6.287 -0.191 1.00 24.52 H new ATOM 1168 N PHE A 74 -3.329 3.297 1.630 1.00 61.45 N ATOM 1169 CA PHE A 74 -3.001 1.911 1.281 1.00 73.11 C ATOM 1170 C PHE A 74 -4.210 0.978 1.453 1.00 24.12 C ATOM 1171 O PHE A 74 -4.554 0.224 0.544 1.00 3.13 O ATOM 1172 CB PHE A 74 -1.823 1.405 2.129 1.00 11.02 C ATOM 1173 CG PHE A 74 -0.496 2.025 1.763 1.00 12.43 C ATOM 1174 CD1 PHE A 74 0.268 1.494 0.731 1.00 32.14 C ATOM 1175 CD2 PHE A 74 -0.009 3.131 2.448 1.00 63.11 C ATOM 1176 CE1 PHE A 74 1.484 2.053 0.389 1.00 54.51 C ATOM 1177 CE2 PHE A 74 1.209 3.692 2.109 1.00 44.23 C ATOM 1178 CZ PHE A 74 1.955 3.153 1.078 1.00 60.14 C ATOM 0 H PHE A 74 -2.798 3.667 2.418 1.00 61.45 H new ATOM 0 HA PHE A 74 -2.716 1.901 0.229 1.00 73.11 H new ATOM 0 HB2 PHE A 74 -2.031 1.608 3.180 1.00 11.02 H new ATOM 0 HB3 PHE A 74 -1.749 0.323 2.022 1.00 11.02 H new ATOM 0 HD1 PHE A 74 -0.094 0.633 0.189 1.00 32.14 H new ATOM 0 HD2 PHE A 74 -0.588 3.557 3.254 1.00 63.11 H new ATOM 0 HE1 PHE A 74 2.066 1.630 -0.417 1.00 54.51 H new ATOM 0 HE2 PHE A 74 1.577 4.551 2.650 1.00 44.23 H new ATOM 0 HZ PHE A 74 2.905 3.592 0.812 1.00 60.14 H new ATOM 1188 N GLU A 75 -4.858 1.034 2.617 1.00 21.14 N ATOM 1189 CA GLU A 75 -6.018 0.172 2.893 1.00 24.33 C ATOM 1190 C GLU A 75 -7.184 0.455 1.931 1.00 32.32 C ATOM 1191 O GLU A 75 -7.927 -0.457 1.562 1.00 70.43 O ATOM 1192 CB GLU A 75 -6.479 0.327 4.345 1.00 12.44 C ATOM 1193 CG GLU A 75 -6.881 1.743 4.721 1.00 60.12 C ATOM 1194 CD GLU A 75 -7.339 1.851 6.164 1.00 43.21 C ATOM 1195 OE1 GLU A 75 -6.478 1.958 7.059 1.00 1.54 O ATOM 1196 OE2 GLU A 75 -8.562 1.798 6.412 1.00 21.34 O ATOM 0 H GLU A 75 -4.605 1.660 3.381 1.00 21.14 H new ATOM 0 HA GLU A 75 -5.698 -0.858 2.733 1.00 24.33 H new ATOM 0 HB2 GLU A 75 -7.325 -0.338 4.519 1.00 12.44 H new ATOM 0 HB3 GLU A 75 -5.676 0.001 5.006 1.00 12.44 H new ATOM 0 HG2 GLU A 75 -6.036 2.412 4.560 1.00 60.12 H new ATOM 0 HG3 GLU A 75 -7.683 2.077 4.062 1.00 60.12 H new ATOM 1203 N MET A 76 -7.345 1.719 1.530 1.00 44.25 N ATOM 1204 CA MET A 76 -8.332 2.080 0.502 1.00 23.23 C ATOM 1205 C MET A 76 -8.007 1.394 -0.830 1.00 0.04 C ATOM 1206 O MET A 76 -8.898 0.924 -1.539 1.00 61.55 O ATOM 1207 CB MET A 76 -8.388 3.602 0.318 1.00 32.41 C ATOM 1208 CG MET A 76 -9.131 4.326 1.434 1.00 54.23 C ATOM 1209 SD MET A 76 -10.867 3.831 1.542 1.00 55.21 S ATOM 1210 CE MET A 76 -11.439 4.202 -0.116 1.00 11.15 C ATOM 0 H MET A 76 -6.810 2.506 1.897 1.00 44.25 H new ATOM 0 HA MET A 76 -9.310 1.735 0.836 1.00 23.23 H new ATOM 0 HB2 MET A 76 -7.371 3.990 0.259 1.00 32.41 H new ATOM 0 HB3 MET A 76 -8.870 3.827 -0.633 1.00 32.41 H new ATOM 0 HG2 MET A 76 -8.639 4.124 2.385 1.00 54.23 H new ATOM 0 HG3 MET A 76 -9.073 5.402 1.267 1.00 54.23 H new ATOM 0 HE1 MET A 76 -12.527 4.276 -0.118 1.00 11.15 H new ATOM 0 HE2 MET A 76 -11.011 5.149 -0.445 1.00 11.15 H new ATOM 0 HE3 MET A 76 -11.128 3.408 -0.794 1.00 11.15 H new ATOM 1220 N ALA A 77 -6.719 1.336 -1.161 1.00 0.35 N ATOM 1221 CA ALA A 77 -6.258 0.617 -2.347 1.00 2.41 C ATOM 1222 C ALA A 77 -6.489 -0.898 -2.200 1.00 31.51 C ATOM 1223 O ALA A 77 -6.886 -1.570 -3.153 1.00 34.32 O ATOM 1224 CB ALA A 77 -4.788 0.922 -2.602 1.00 11.34 C ATOM 0 H ALA A 77 -5.974 1.779 -0.623 1.00 0.35 H new ATOM 0 HA ALA A 77 -6.838 0.956 -3.205 1.00 2.41 H new ATOM 0 HB1 ALA A 77 -4.453 0.382 -3.488 1.00 11.34 H new ATOM 0 HB2 ALA A 77 -4.661 1.993 -2.760 1.00 11.34 H new ATOM 0 HB3 ALA A 77 -4.197 0.610 -1.741 1.00 11.34 H new ATOM 1230 N VAL A 78 -6.252 -1.425 -0.996 1.00 73.03 N ATOM 1231 CA VAL A 78 -6.515 -2.841 -0.696 1.00 4.44 C ATOM 1232 C VAL A 78 -7.987 -3.194 -0.946 1.00 14.13 C ATOM 1233 O VAL A 78 -8.294 -4.176 -1.622 1.00 42.44 O ATOM 1234 CB VAL A 78 -6.151 -3.192 0.770 1.00 34.32 C ATOM 1235 CG1 VAL A 78 -6.547 -4.631 1.105 1.00 55.23 C ATOM 1236 CG2 VAL A 78 -4.660 -2.971 1.025 1.00 42.14 C ATOM 0 H VAL A 78 -5.878 -0.894 -0.210 1.00 73.03 H new ATOM 0 HA VAL A 78 -5.884 -3.426 -1.365 1.00 4.44 H new ATOM 0 HB VAL A 78 -6.714 -2.526 1.424 1.00 34.32 H new ATOM 0 HG11 VAL A 78 -6.280 -4.850 2.139 1.00 55.23 H new ATOM 0 HG12 VAL A 78 -7.622 -4.752 0.974 1.00 55.23 H new ATOM 0 HG13 VAL A 78 -6.021 -5.317 0.441 1.00 55.23 H new ATOM 0 HG21 VAL A 78 -4.426 -3.223 2.059 1.00 42.14 H new ATOM 0 HG22 VAL A 78 -4.079 -3.606 0.357 1.00 42.14 H new ATOM 0 HG23 VAL A 78 -4.410 -1.926 0.841 1.00 42.14 H new ATOM 1246 N ALA A 79 -8.889 -2.381 -0.399 1.00 3.23 N ATOM 1247 CA ALA A 79 -10.328 -2.569 -0.605 1.00 64.21 C ATOM 1248 C ALA A 79 -10.685 -2.559 -2.099 1.00 63.12 C ATOM 1249 O ALA A 79 -11.526 -3.331 -2.553 1.00 10.25 O ATOM 1250 CB ALA A 79 -11.108 -1.489 0.135 1.00 14.13 C ATOM 0 H ALA A 79 -8.651 -1.584 0.191 1.00 3.23 H new ATOM 0 HA ALA A 79 -10.603 -3.545 -0.204 1.00 64.21 H new ATOM 0 HB1 ALA A 79 -12.176 -1.638 -0.024 1.00 14.13 H new ATOM 0 HB2 ALA A 79 -10.889 -1.548 1.201 1.00 14.13 H new ATOM 0 HB3 ALA A 79 -10.818 -0.508 -0.242 1.00 14.13 H new ATOM 1256 N LYS A 80 -10.022 -1.686 -2.856 1.00 51.23 N ATOM 1257 CA LYS A 80 -10.225 -1.592 -4.308 1.00 25.54 C ATOM 1258 C LYS A 80 -9.764 -2.872 -5.031 1.00 44.52 C ATOM 1259 O LYS A 80 -10.504 -3.452 -5.824 1.00 0.00 O ATOM 1260 CB LYS A 80 -9.455 -0.387 -4.861 1.00 14.42 C ATOM 1261 CG LYS A 80 -9.625 -0.181 -6.364 1.00 71.45 C ATOM 1262 CD LYS A 80 -8.684 0.896 -6.899 1.00 64.04 C ATOM 1263 CE LYS A 80 -8.871 2.228 -6.180 1.00 63.21 C ATOM 1264 NZ LYS A 80 -10.258 2.743 -6.311 1.00 70.02 N ATOM 0 H LYS A 80 -9.335 -1.028 -2.488 1.00 51.23 H new ATOM 0 HA LYS A 80 -11.293 -1.468 -4.488 1.00 25.54 H new ATOM 0 HB2 LYS A 80 -9.785 0.512 -4.341 1.00 14.42 H new ATOM 0 HB3 LYS A 80 -8.395 -0.512 -4.639 1.00 14.42 H new ATOM 0 HG2 LYS A 80 -9.435 -1.120 -6.883 1.00 71.45 H new ATOM 0 HG3 LYS A 80 -10.657 0.099 -6.578 1.00 71.45 H new ATOM 0 HD2 LYS A 80 -7.652 0.565 -6.785 1.00 64.04 H new ATOM 0 HD3 LYS A 80 -8.859 1.033 -7.966 1.00 64.04 H new ATOM 0 HE2 LYS A 80 -8.628 2.107 -5.124 1.00 63.21 H new ATOM 0 HE3 LYS A 80 -8.173 2.960 -6.586 1.00 63.21 H new ATOM 0 HZ1 LYS A 80 -10.369 3.595 -5.725 1.00 70.02 H new ATOM 0 HZ2 LYS A 80 -10.448 2.979 -7.306 1.00 70.02 H new ATOM 0 HZ3 LYS A 80 -10.930 2.015 -5.994 1.00 70.02 H new ATOM 1278 N VAL A 81 -8.533 -3.303 -4.751 1.00 4.30 N ATOM 1279 CA VAL A 81 -7.947 -4.478 -5.411 1.00 72.01 C ATOM 1280 C VAL A 81 -8.657 -5.782 -5.008 1.00 65.24 C ATOM 1281 O VAL A 81 -8.896 -6.655 -5.846 1.00 4.33 O ATOM 1282 CB VAL A 81 -6.433 -4.602 -5.093 1.00 54.55 C ATOM 1283 CG1 VAL A 81 -5.826 -5.831 -5.772 1.00 51.33 C ATOM 1284 CG2 VAL A 81 -5.687 -3.336 -5.509 1.00 13.21 C ATOM 0 H VAL A 81 -7.919 -2.857 -4.070 1.00 4.30 H new ATOM 0 HA VAL A 81 -8.082 -4.328 -6.482 1.00 72.01 H new ATOM 0 HB VAL A 81 -6.327 -4.725 -4.015 1.00 54.55 H new ATOM 0 HG11 VAL A 81 -4.765 -5.892 -5.532 1.00 51.33 H new ATOM 0 HG12 VAL A 81 -6.331 -6.729 -5.417 1.00 51.33 H new ATOM 0 HG13 VAL A 81 -5.949 -5.748 -6.852 1.00 51.33 H new ATOM 0 HG21 VAL A 81 -4.628 -3.445 -5.277 1.00 13.21 H new ATOM 0 HG22 VAL A 81 -5.809 -3.177 -6.580 1.00 13.21 H new ATOM 0 HG23 VAL A 81 -6.091 -2.481 -4.967 1.00 13.21 H new ATOM 1294 N MET A 82 -8.987 -5.911 -3.724 1.00 63.43 N ATOM 1295 CA MET A 82 -9.670 -7.109 -3.216 1.00 22.22 C ATOM 1296 C MET A 82 -11.187 -7.046 -3.460 1.00 11.34 C ATOM 1297 O MET A 82 -11.851 -8.079 -3.509 1.00 34.44 O ATOM 1298 CB MET A 82 -9.391 -7.293 -1.718 1.00 22.21 C ATOM 1299 CG MET A 82 -7.920 -7.529 -1.398 1.00 51.14 C ATOM 1300 SD MET A 82 -7.231 -8.949 -2.278 1.00 70.14 S ATOM 1301 CE MET A 82 -8.295 -10.268 -1.695 1.00 62.51 C ATOM 0 H MET A 82 -8.795 -5.204 -3.014 1.00 63.43 H new ATOM 0 HA MET A 82 -9.275 -7.964 -3.764 1.00 22.22 H new ATOM 0 HB2 MET A 82 -9.734 -6.408 -1.181 1.00 22.21 H new ATOM 0 HB3 MET A 82 -9.975 -8.136 -1.349 1.00 22.21 H new ATOM 0 HG2 MET A 82 -7.349 -6.636 -1.655 1.00 51.14 H new ATOM 0 HG3 MET A 82 -7.806 -7.682 -0.325 1.00 51.14 H new ATOM 0 HE1 MET A 82 -7.756 -11.215 -1.734 1.00 62.51 H new ATOM 0 HE2 MET A 82 -8.597 -10.065 -0.667 1.00 62.51 H new ATOM 0 HE3 MET A 82 -9.180 -10.328 -2.328 1.00 62.51 H new ATOM 1311 N GLN A 83 -11.727 -5.828 -3.592 1.00 20.30 N ATOM 1312 CA GLN A 83 -13.162 -5.625 -3.868 1.00 61.12 C ATOM 1313 C GLN A 83 -14.045 -6.254 -2.774 1.00 53.22 C ATOM 1314 O GLN A 83 -15.219 -6.559 -3.000 1.00 33.14 O ATOM 1315 CB GLN A 83 -13.515 -6.208 -5.246 1.00 33.02 C ATOM 1316 CG GLN A 83 -12.652 -5.656 -6.376 1.00 3.23 C ATOM 1317 CD GLN A 83 -12.975 -6.269 -7.725 1.00 62.53 C ATOM 1318 OE1 GLN A 83 -13.811 -5.764 -8.465 1.00 21.43 O ATOM 1319 NE2 GLN A 83 -12.328 -7.368 -8.056 1.00 72.41 N ATOM 0 H GLN A 83 -11.193 -4.963 -3.512 1.00 20.30 H new ATOM 0 HA GLN A 83 -13.359 -4.553 -3.869 1.00 61.12 H new ATOM 0 HB2 GLN A 83 -13.407 -7.292 -5.212 1.00 33.02 H new ATOM 0 HB3 GLN A 83 -14.562 -5.999 -5.463 1.00 33.02 H new ATOM 0 HG2 GLN A 83 -12.786 -4.576 -6.433 1.00 3.23 H new ATOM 0 HG3 GLN A 83 -11.602 -5.835 -6.144 1.00 3.23 H new ATOM 0 HE21 GLN A 83 -11.637 -7.765 -7.419 1.00 72.41 H new ATOM 0 HE22 GLN A 83 -12.518 -7.822 -8.949 1.00 72.41 H new