USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 537 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 18 THR OG1 : rot -64:sc= 0.262 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0.244 USER MOD Single : A 28 HIS : no HE2:sc= -1.35 K(o=-1.4,f=-4.6!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 147:sc= -2.26! (180deg=-2.43!) USER MOD Single : A 43 MET CE :methyl -172:sc= -0.287 (180deg=-0.421) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.048) USER MOD Single : A 58 GLN : amide:sc= -0.0264 K(o=-0.026,f=-1) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -1.44 K(o=-1.4,f=-4.5!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 15 -0.750 -17.085 15.836 1.00 0.00 N ATOM 177 CA VAL A 15 -0.631 -15.641 15.997 1.00 0.00 C ATOM 178 C VAL A 15 -0.021 -14.999 14.755 1.00 0.00 C ATOM 179 O VAL A 15 0.949 -15.495 14.182 1.00 0.00 O ATOM 180 CB VAL A 15 0.231 -15.282 17.222 1.00 0.00 C ATOM 181 CG1 VAL A 15 1.687 -15.645 16.975 1.00 0.00 C ATOM 182 CG2 VAL A 15 0.089 -13.806 17.558 1.00 0.00 C ATOM 0 HA VAL A 15 -1.639 -15.254 16.146 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.122 -15.860 18.076 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.281 -15.384 17.851 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.768 -16.716 16.787 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.057 -15.096 16.109 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.705 -13.570 18.426 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.415 -13.206 16.708 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.954 -13.582 17.781 1.00 0.00 H new ATOM 192 N PRO A 16 -0.602 -13.867 14.329 1.00 0.00 N ATOM 193 CA PRO A 16 -0.132 -13.131 13.151 1.00 0.00 C ATOM 194 C PRO A 16 1.219 -12.465 13.386 1.00 0.00 C ATOM 195 O PRO A 16 1.805 -12.588 14.461 1.00 0.00 O ATOM 196 CB PRO A 16 -1.219 -12.075 12.936 1.00 0.00 C ATOM 197 CG PRO A 16 -1.831 -11.882 14.280 1.00 0.00 C ATOM 198 CD PRO A 16 -1.762 -13.219 14.963 1.00 0.00 C ATOM 0 HA PRO A 16 0.020 -13.787 12.294 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.797 -11.145 12.556 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.958 -12.410 12.209 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.292 -11.125 14.849 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.863 -11.541 14.194 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.625 -13.114 16.039 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.675 -13.794 14.813 1.00 0.00 H new ATOM 206 N VAL A 17 1.708 -11.757 12.372 1.00 0.00 N ATOM 207 CA VAL A 17 2.991 -11.070 12.469 1.00 0.00 C ATOM 208 C VAL A 17 2.946 -9.722 11.758 1.00 0.00 C ATOM 209 O VAL A 17 2.213 -9.544 10.785 1.00 0.00 O ATOM 210 CB VAL A 17 4.128 -11.917 11.869 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.503 -13.051 12.812 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.729 -12.458 10.505 1.00 0.00 C ATOM 0 H VAL A 17 1.236 -11.644 11.475 1.00 0.00 H new ATOM 0 HA VAL A 17 3.187 -10.912 13.530 1.00 0.00 H new ATOM 0 HB VAL A 17 5.002 -11.279 11.739 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.308 -13.639 12.372 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.835 -12.638 13.764 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.635 -13.690 12.976 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.545 -13.054 10.097 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.840 -13.081 10.606 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.515 -11.627 9.833 1.00 0.00 H new ATOM 222 N THR A 18 3.738 -8.773 12.249 1.00 0.00 N ATOM 223 CA THR A 18 3.789 -7.441 11.661 1.00 0.00 C ATOM 224 C THR A 18 4.863 -7.357 10.583 1.00 0.00 C ATOM 225 O THR A 18 5.988 -7.816 10.779 1.00 0.00 O ATOM 226 CB THR A 18 4.065 -6.366 12.729 1.00 0.00 C ATOM 227 OG1 THR A 18 3.123 -6.488 13.802 1.00 0.00 O ATOM 228 CG2 THR A 18 3.978 -4.970 12.129 1.00 0.00 C ATOM 0 H THR A 18 4.353 -8.903 13.053 1.00 0.00 H new ATOM 0 HA THR A 18 2.813 -7.256 11.213 1.00 0.00 H new ATOM 0 HB THR A 18 5.074 -6.518 13.112 1.00 0.00 H new ATOM 0 HG1 THR A 18 2.220 -6.312 13.466 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.177 -4.228 12.903 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.715 -4.870 11.332 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.980 -4.811 11.722 1.00 0.00 H new ATOM 236 N ILE A 19 4.508 -6.766 9.447 1.00 0.00 N ATOM 237 CA ILE A 19 5.444 -6.621 8.338 1.00 0.00 C ATOM 238 C ILE A 19 5.668 -5.152 7.997 1.00 0.00 C ATOM 239 O ILE A 19 5.163 -4.262 8.682 1.00 0.00 O ATOM 240 CB ILE A 19 4.946 -7.358 7.080 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.597 -6.791 6.631 1.00 0.00 C ATOM 242 CG2 ILE A 19 4.836 -8.851 7.350 1.00 0.00 C ATOM 243 CD1 ILE A 19 3.274 -7.078 5.182 1.00 0.00 C ATOM 0 H ILE A 19 3.580 -6.380 9.270 1.00 0.00 H new ATOM 0 HA ILE A 19 6.386 -7.065 8.660 1.00 0.00 H new ATOM 0 HB ILE A 19 5.668 -7.206 6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.810 -7.207 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.595 -5.712 6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.483 -9.358 6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.814 -9.244 7.628 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.132 -9.023 8.164 1.00 0.00 H new ATOM 0 HD11 ILE A 19 2.304 -6.647 4.933 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.041 -6.638 4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.244 -8.156 5.023 1.00 0.00 H new ATOM 255 N GLU A 20 6.425 -4.905 6.933 1.00 0.00 N ATOM 256 CA GLU A 20 6.715 -3.543 6.501 1.00 0.00 C ATOM 257 C GLU A 20 6.483 -3.387 5.000 1.00 0.00 C ATOM 258 O GLU A 20 6.917 -4.221 4.205 1.00 0.00 O ATOM 259 CB GLU A 20 8.157 -3.170 6.847 1.00 0.00 C ATOM 260 CG GLU A 20 8.323 -2.622 8.254 1.00 0.00 C ATOM 261 CD GLU A 20 9.739 -2.154 8.535 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.674 -2.676 7.893 1.00 0.00 O ATOM 263 OE2 GLU A 20 9.911 -1.265 9.394 1.00 0.00 O ATOM 0 H GLU A 20 6.849 -5.630 6.354 1.00 0.00 H new ATOM 0 HA GLU A 20 6.038 -2.871 7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.789 -4.051 6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.513 -2.428 6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.634 -1.790 8.400 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.049 -3.393 8.975 1.00 0.00 H new ATOM 270 N VAL A 21 5.796 -2.314 4.621 1.00 0.00 N ATOM 271 CA VAL A 21 5.506 -2.048 3.218 1.00 0.00 C ATOM 272 C VAL A 21 5.975 -0.654 2.815 1.00 0.00 C ATOM 273 O VAL A 21 5.801 0.309 3.561 1.00 0.00 O ATOM 274 CB VAL A 21 4.001 -2.178 2.921 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.773 -2.506 1.453 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.371 -3.235 3.816 1.00 0.00 C ATOM 0 H VAL A 21 5.430 -1.615 5.267 1.00 0.00 H new ATOM 0 HA VAL A 21 6.048 -2.793 2.636 1.00 0.00 H new ATOM 0 HB VAL A 21 3.522 -1.222 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.704 -2.594 1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.188 -1.711 0.834 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.264 -3.448 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.307 -3.314 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.852 -4.197 3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.503 -2.953 4.861 1.00 0.00 H new ATOM 286 N GLU A 22 6.569 -0.555 1.630 1.00 0.00 N ATOM 287 CA GLU A 22 7.062 0.723 1.127 1.00 0.00 C ATOM 288 C GLU A 22 5.930 1.537 0.506 1.00 0.00 C ATOM 289 O GLU A 22 5.384 1.168 -0.534 1.00 0.00 O ATOM 290 CB GLU A 22 8.169 0.498 0.095 1.00 0.00 C ATOM 291 CG GLU A 22 9.468 -0.010 0.698 1.00 0.00 C ATOM 292 CD GLU A 22 10.286 -0.825 -0.284 1.00 0.00 C ATOM 293 OE1 GLU A 22 9.950 -2.008 -0.499 1.00 0.00 O ATOM 294 OE2 GLU A 22 11.265 -0.280 -0.837 1.00 0.00 O ATOM 0 H GLU A 22 6.721 -1.343 1.001 1.00 0.00 H new ATOM 0 HA GLU A 22 7.469 1.283 1.969 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.820 -0.217 -0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.363 1.435 -0.428 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.060 0.838 1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.244 -0.620 1.573 1.00 0.00 H new ATOM 301 N VAL A 23 5.582 2.645 1.152 1.00 0.00 N ATOM 302 CA VAL A 23 4.517 3.513 0.664 1.00 0.00 C ATOM 303 C VAL A 23 4.745 4.958 1.092 1.00 0.00 C ATOM 304 O VAL A 23 5.017 5.251 2.257 1.00 0.00 O ATOM 305 CB VAL A 23 3.139 3.049 1.173 1.00 0.00 C ATOM 306 CG1 VAL A 23 2.056 4.028 0.747 1.00 0.00 C ATOM 307 CG2 VAL A 23 2.830 1.648 0.669 1.00 0.00 C ATOM 0 H VAL A 23 6.022 2.963 2.015 1.00 0.00 H new ATOM 0 HA VAL A 23 4.534 3.454 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 23 3.163 3.022 2.262 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.089 3.684 1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.273 5.013 1.161 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.029 4.090 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.853 1.336 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.824 1.647 -0.421 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.592 0.956 1.028 1.00 0.00 H new ATOM 317 N PRO A 24 4.634 5.885 0.129 1.00 0.00 N ATOM 318 CA PRO A 24 4.823 7.317 0.383 1.00 0.00 C ATOM 319 C PRO A 24 3.697 7.911 1.222 1.00 0.00 C ATOM 320 O PRO A 24 2.518 7.686 0.945 1.00 0.00 O ATOM 321 CB PRO A 24 4.824 7.928 -1.021 1.00 0.00 C ATOM 322 CG PRO A 24 4.040 6.972 -1.851 1.00 0.00 C ATOM 323 CD PRO A 24 4.313 5.608 -1.280 1.00 0.00 C ATOM 0 HA PRO A 24 5.733 7.514 0.950 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.369 8.918 -1.022 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.839 8.043 -1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.976 7.205 -1.814 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.342 7.025 -2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.447 4.953 -1.373 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.141 5.117 -1.791 1.00 0.00 H new ATOM 331 N PHE A 25 4.066 8.669 2.248 1.00 0.00 N ATOM 332 CA PHE A 25 3.087 9.295 3.128 1.00 0.00 C ATOM 333 C PHE A 25 2.140 10.194 2.337 1.00 0.00 C ATOM 334 O PHE A 25 1.102 10.620 2.842 1.00 0.00 O ATOM 335 CB PHE A 25 3.792 10.110 4.214 1.00 0.00 C ATOM 336 CG PHE A 25 2.867 10.602 5.290 1.00 0.00 C ATOM 337 CD1 PHE A 25 2.161 11.784 5.129 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.703 9.884 6.464 1.00 0.00 C ATOM 339 CE1 PHE A 25 1.308 12.239 6.116 1.00 0.00 C ATOM 340 CE2 PHE A 25 1.852 10.334 7.455 1.00 0.00 C ATOM 341 CZ PHE A 25 1.154 11.514 7.282 1.00 0.00 C ATOM 0 H PHE A 25 5.037 8.865 2.491 1.00 0.00 H new ATOM 0 HA PHE A 25 2.502 8.505 3.598 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.571 9.498 4.668 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.286 10.965 3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.279 12.356 4.221 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.247 8.962 6.606 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.762 13.160 5.976 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.732 9.764 8.364 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.490 11.869 8.056 1.00 0.00 H new ATOM 351 N ASP A 26 2.508 10.479 1.093 1.00 0.00 N ATOM 352 CA ASP A 26 1.693 11.327 0.230 1.00 0.00 C ATOM 353 C ASP A 26 0.474 10.567 -0.284 1.00 0.00 C ATOM 354 O ASP A 26 -0.450 11.160 -0.841 1.00 0.00 O ATOM 355 CB ASP A 26 2.523 11.841 -0.948 1.00 0.00 C ATOM 356 CG ASP A 26 3.360 13.051 -0.582 1.00 0.00 C ATOM 357 OD1 ASP A 26 4.417 12.870 0.059 1.00 0.00 O ATOM 358 OD2 ASP A 26 2.958 14.179 -0.937 1.00 0.00 O ATOM 0 H ASP A 26 3.365 10.136 0.659 1.00 0.00 H new ATOM 0 HA ASP A 26 1.348 12.177 0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.177 11.044 -1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.858 12.099 -1.772 1.00 0.00 H new ATOM 363 N LEU A 27 0.480 9.253 -0.094 1.00 0.00 N ATOM 364 CA LEU A 27 -0.625 8.411 -0.539 1.00 0.00 C ATOM 365 C LEU A 27 -1.506 8.000 0.637 1.00 0.00 C ATOM 366 O LEU A 27 -2.690 7.711 0.468 1.00 0.00 O ATOM 367 CB LEU A 27 -0.089 7.166 -1.248 1.00 0.00 C ATOM 368 CG LEU A 27 0.458 7.380 -2.660 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.005 6.079 -3.224 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.624 7.945 -3.571 1.00 0.00 C ATOM 0 H LEU A 27 1.237 8.747 0.365 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.230 8.988 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.703 6.736 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.890 6.428 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 27 1.274 8.100 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.390 6.251 -4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.810 5.715 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.209 5.336 -3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.217 8.091 -4.572 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.461 7.248 -3.618 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.969 8.901 -3.177 1.00 0.00 H new ATOM 382 N HIS A 28 -0.918 7.980 1.830 1.00 0.00 N ATOM 383 CA HIS A 28 -1.650 7.608 3.035 1.00 0.00 C ATOM 384 C HIS A 28 -3.045 8.227 3.037 1.00 0.00 C ATOM 385 O HIS A 28 -4.050 7.517 3.060 1.00 0.00 O ATOM 386 CB HIS A 28 -0.882 8.051 4.281 1.00 0.00 C ATOM 387 CG HIS A 28 0.363 7.257 4.530 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.181 7.462 5.620 1.00 0.00 N ATOM 389 CD2 HIS A 28 0.927 6.250 3.822 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.196 6.619 5.572 1.00 0.00 C ATOM 391 NE2 HIS A 28 2.066 5.871 4.491 1.00 0.00 N ATOM 0 H HIS A 28 0.062 8.217 1.987 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.753 6.523 3.047 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.618 9.104 4.180 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.536 7.968 5.149 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.026 8.157 6.350 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.552 5.824 2.903 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.997 6.552 6.294 1.00 0.00 H new ATOM 399 N ARG A 29 -3.098 9.555 3.013 1.00 0.00 N ATOM 400 CA ARG A 29 -4.369 10.269 3.013 1.00 0.00 C ATOM 401 C ARG A 29 -5.331 9.669 1.991 1.00 0.00 C ATOM 402 O ARG A 29 -6.546 9.681 2.186 1.00 0.00 O ATOM 403 CB ARG A 29 -4.145 11.751 2.709 1.00 0.00 C ATOM 404 CG ARG A 29 -3.116 12.001 1.619 1.00 0.00 C ATOM 405 CD ARG A 29 -3.082 13.465 1.209 1.00 0.00 C ATOM 406 NE ARG A 29 -2.393 14.294 2.195 1.00 0.00 N ATOM 407 CZ ARG A 29 -1.898 15.497 1.926 1.00 0.00 C ATOM 408 NH1 ARG A 29 -2.016 16.009 0.709 1.00 0.00 N ATOM 409 NH2 ARG A 29 -1.284 16.191 2.876 1.00 0.00 N ATOM 0 H ARG A 29 -2.275 10.158 2.993 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.812 10.171 4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.093 12.199 2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.826 12.256 3.621 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.130 11.698 1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.347 11.384 0.751 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.584 13.560 0.244 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.101 13.829 1.078 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.286 13.929 3.142 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.488 15.479 -0.024 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.635 16.933 0.505 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.192 15.801 3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.904 17.115 2.668 1.00 0.00 H new ATOM 423 N TYR A 30 -4.778 9.146 0.903 1.00 0.00 N ATOM 424 CA TYR A 30 -5.586 8.543 -0.150 1.00 0.00 C ATOM 425 C TYR A 30 -5.876 7.077 0.156 1.00 0.00 C ATOM 426 O TYR A 30 -6.868 6.517 -0.312 1.00 0.00 O ATOM 427 CB TYR A 30 -4.875 8.663 -1.499 1.00 0.00 C ATOM 428 CG TYR A 30 -4.479 10.079 -1.852 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.328 11.145 -1.587 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.254 10.349 -2.450 1.00 0.00 C ATOM 431 CE1 TYR A 30 -4.972 12.440 -1.908 1.00 0.00 C ATOM 432 CE2 TYR A 30 -2.887 11.642 -2.773 1.00 0.00 C ATOM 433 CZ TYR A 30 -3.750 12.683 -2.501 1.00 0.00 C ATOM 434 OH TYR A 30 -3.390 13.972 -2.821 1.00 0.00 O ATOM 0 H TYR A 30 -3.773 9.127 0.727 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.534 9.079 -0.197 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.982 8.038 -1.486 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.527 8.272 -2.280 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.284 10.958 -1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.578 9.535 -2.666 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.646 13.257 -1.696 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.930 11.836 -3.235 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.500 13.971 -3.230 1.00 0.00 H new ATOM 444 N VAL A 31 -5.003 6.461 0.947 1.00 0.00 N ATOM 445 CA VAL A 31 -5.165 5.060 1.319 1.00 0.00 C ATOM 446 C VAL A 31 -6.212 4.900 2.415 1.00 0.00 C ATOM 447 O VAL A 31 -7.144 4.106 2.286 1.00 0.00 O ATOM 448 CB VAL A 31 -3.835 4.450 1.801 1.00 0.00 C ATOM 449 CG1 VAL A 31 -4.073 3.092 2.445 1.00 0.00 C ATOM 450 CG2 VAL A 31 -2.851 4.338 0.648 1.00 0.00 C ATOM 0 H VAL A 31 -4.177 6.910 1.342 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.496 4.531 0.425 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.403 5.111 2.553 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.122 2.676 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.740 3.206 3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.528 2.419 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.917 3.905 1.007 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.272 3.700 -0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.657 5.329 0.238 1.00 0.00 H new ATOM 460 N ILE A 32 -6.053 5.659 3.494 1.00 0.00 N ATOM 461 CA ILE A 32 -6.985 5.602 4.613 1.00 0.00 C ATOM 462 C ILE A 32 -8.398 5.964 4.169 1.00 0.00 C ATOM 463 O ILE A 32 -9.360 5.269 4.494 1.00 0.00 O ATOM 464 CB ILE A 32 -6.559 6.549 5.750 1.00 0.00 C ATOM 465 CG1 ILE A 32 -5.112 6.269 6.161 1.00 0.00 C ATOM 466 CG2 ILE A 32 -7.493 6.400 6.941 1.00 0.00 C ATOM 467 CD1 ILE A 32 -4.502 7.362 7.009 1.00 0.00 C ATOM 0 H ILE A 32 -5.287 6.321 3.617 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.973 4.576 4.982 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.622 7.576 5.391 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.075 5.329 6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.507 6.136 5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.179 7.076 7.736 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.511 6.645 6.638 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.459 5.373 7.303 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.476 7.096 7.263 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.507 8.299 6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.083 7.480 7.924 1.00 0.00 H new ATOM 550 N ILE A 39 -8.840 1.562 3.612 1.00 0.00 N ATOM 551 CA ILE A 39 -8.034 0.483 4.169 1.00 0.00 C ATOM 552 C ILE A 39 -8.915 -0.611 4.762 1.00 0.00 C ATOM 553 O ILE A 39 -8.614 -1.799 4.640 1.00 0.00 O ATOM 554 CB ILE A 39 -7.075 1.000 5.259 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.041 1.949 4.649 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.387 -0.164 5.955 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.208 2.677 5.681 1.00 0.00 C ATOM 0 HA ILE A 39 -7.449 0.071 3.347 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.654 1.550 6.001 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.380 1.381 3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.554 2.681 4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.713 0.218 6.722 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.137 -0.806 6.417 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -5.817 -0.739 5.225 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.497 3.332 5.178 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.860 3.272 6.321 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.667 1.952 6.289 1.00 0.00 H new ATOM 569 N ARG A 40 -10.006 -0.203 5.401 1.00 0.00 N ATOM 570 CA ARG A 40 -10.933 -1.149 6.013 1.00 0.00 C ATOM 571 C ARG A 40 -11.297 -2.262 5.035 1.00 0.00 C ATOM 572 O ARG A 40 -11.288 -3.441 5.389 1.00 0.00 O ATOM 573 CB ARG A 40 -12.200 -0.427 6.476 1.00 0.00 C ATOM 574 CG ARG A 40 -12.902 -1.114 7.635 1.00 0.00 C ATOM 575 CD ARG A 40 -13.722 -2.304 7.164 1.00 0.00 C ATOM 576 NE ARG A 40 -14.643 -2.777 8.194 1.00 0.00 N ATOM 577 CZ ARG A 40 -15.839 -2.242 8.412 1.00 0.00 C ATOM 578 NH1 ARG A 40 -16.257 -1.223 7.675 1.00 0.00 N ATOM 579 NH2 ARG A 40 -16.620 -2.728 9.368 1.00 0.00 N ATOM 0 H ARG A 40 -10.270 0.776 5.509 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.441 -1.595 6.877 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.942 0.590 6.770 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.892 -0.350 5.637 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.163 -1.446 8.364 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.552 -0.401 8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.286 -2.026 6.274 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.052 -3.115 6.877 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.352 -3.561 8.778 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -15.660 -0.848 6.938 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -17.176 -0.814 7.845 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -16.302 -3.513 9.936 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -17.538 -2.317 9.535 1.00 0.00 H new ATOM 593 N LYS A 41 -11.617 -1.879 3.804 1.00 0.00 N ATOM 594 CA LYS A 41 -11.984 -2.844 2.773 1.00 0.00 C ATOM 595 C LYS A 41 -10.978 -3.989 2.717 1.00 0.00 C ATOM 596 O LYS A 41 -11.355 -5.155 2.607 1.00 0.00 O ATOM 597 CB LYS A 41 -12.066 -2.157 1.408 1.00 0.00 C ATOM 598 CG LYS A 41 -12.302 -3.118 0.256 1.00 0.00 C ATOM 599 CD LYS A 41 -11.827 -2.535 -1.063 1.00 0.00 C ATOM 600 CE LYS A 41 -11.909 -3.556 -2.187 1.00 0.00 C ATOM 601 NZ LYS A 41 -10.900 -3.293 -3.250 1.00 0.00 N ATOM 0 H LYS A 41 -11.630 -0.907 3.495 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.962 -3.254 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.871 -1.423 1.428 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.140 -1.610 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.780 -4.055 0.450 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.364 -3.353 0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.433 -1.665 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.799 -2.189 -0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.757 -4.556 -1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.908 -3.538 -2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.988 -4.010 -3.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.061 -2.349 -3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.945 -3.336 -2.840 1.00 0.00 H new ATOM 615 N MET A 42 -9.695 -3.648 2.795 1.00 0.00 N ATOM 616 CA MET A 42 -8.635 -4.649 2.755 1.00 0.00 C ATOM 617 C MET A 42 -8.597 -5.452 4.052 1.00 0.00 C ATOM 618 O MET A 42 -8.469 -6.675 4.031 1.00 0.00 O ATOM 619 CB MET A 42 -7.280 -3.979 2.517 1.00 0.00 C ATOM 620 CG MET A 42 -7.274 -3.027 1.332 1.00 0.00 C ATOM 621 SD MET A 42 -5.797 -1.994 1.280 1.00 0.00 S ATOM 622 CE MET A 42 -4.511 -3.239 1.331 1.00 0.00 C ATOM 0 H MET A 42 -9.365 -2.687 2.886 1.00 0.00 H new ATOM 0 HA MET A 42 -8.845 -5.331 1.931 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.992 -3.431 3.414 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.526 -4.749 2.358 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.344 -3.602 0.409 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.157 -2.390 1.378 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.652 -2.899 0.752 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.208 -3.407 2.365 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.889 -4.170 0.907 1.00 0.00 H new ATOM 632 N MET A 43 -8.710 -4.755 5.178 1.00 0.00 N ATOM 633 CA MET A 43 -8.689 -5.404 6.483 1.00 0.00 C ATOM 634 C MET A 43 -9.814 -6.428 6.599 1.00 0.00 C ATOM 635 O MET A 43 -9.731 -7.369 7.389 1.00 0.00 O ATOM 636 CB MET A 43 -8.815 -4.363 7.597 1.00 0.00 C ATOM 637 CG MET A 43 -7.737 -3.292 7.552 1.00 0.00 C ATOM 638 SD MET A 43 -7.533 -2.445 9.131 1.00 0.00 S ATOM 639 CE MET A 43 -8.846 -1.228 9.033 1.00 0.00 C ATOM 0 H MET A 43 -8.817 -3.741 5.213 1.00 0.00 H new ATOM 0 HA MET A 43 -7.736 -5.923 6.587 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.793 -3.886 7.529 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.774 -4.868 8.562 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.790 -3.747 7.263 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.987 -2.562 6.782 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.762 -0.534 9.870 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.763 -0.678 8.096 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.812 -1.731 9.074 1.00 0.00 H new ATOM 649 N ASP A 44 -10.864 -6.238 5.808 1.00 0.00 N ATOM 650 CA ASP A 44 -12.005 -7.146 5.822 1.00 0.00 C ATOM 651 C ASP A 44 -11.868 -8.208 4.736 1.00 0.00 C ATOM 652 O ASP A 44 -12.291 -9.350 4.914 1.00 0.00 O ATOM 653 CB ASP A 44 -13.307 -6.366 5.629 1.00 0.00 C ATOM 654 CG ASP A 44 -13.864 -5.835 6.936 1.00 0.00 C ATOM 655 OD1 ASP A 44 -13.107 -5.175 7.678 1.00 0.00 O ATOM 656 OD2 ASP A 44 -15.056 -6.081 7.217 1.00 0.00 O ATOM 0 H ASP A 44 -10.949 -5.464 5.149 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.029 -7.644 6.791 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.131 -5.534 4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.048 -7.012 5.158 1.00 0.00 H new ATOM 661 N GLU A 45 -11.276 -7.822 3.609 1.00 0.00 N ATOM 662 CA GLU A 45 -11.086 -8.741 2.494 1.00 0.00 C ATOM 663 C GLU A 45 -9.900 -9.669 2.749 1.00 0.00 C ATOM 664 O GLU A 45 -10.044 -10.892 2.751 1.00 0.00 O ATOM 665 CB GLU A 45 -10.867 -7.963 1.195 1.00 0.00 C ATOM 666 CG GLU A 45 -10.592 -8.851 -0.007 1.00 0.00 C ATOM 667 CD GLU A 45 -11.857 -9.444 -0.597 1.00 0.00 C ATOM 668 OE1 GLU A 45 -12.818 -8.682 -0.828 1.00 0.00 O ATOM 669 OE2 GLU A 45 -11.885 -10.671 -0.826 1.00 0.00 O ATOM 0 H GLU A 45 -10.921 -6.880 3.445 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.987 -9.348 2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.749 -7.355 0.993 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.030 -7.277 1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.076 -8.271 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.921 -9.657 0.288 1.00 0.00 H new ATOM 676 N PHE A 46 -8.731 -9.078 2.964 1.00 0.00 N ATOM 677 CA PHE A 46 -7.519 -9.850 3.219 1.00 0.00 C ATOM 678 C PHE A 46 -7.489 -10.355 4.658 1.00 0.00 C ATOM 679 O PHE A 46 -6.566 -11.063 5.060 1.00 0.00 O ATOM 680 CB PHE A 46 -6.278 -9.000 2.939 1.00 0.00 C ATOM 681 CG PHE A 46 -6.113 -8.641 1.490 1.00 0.00 C ATOM 682 CD1 PHE A 46 -5.571 -9.549 0.594 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.499 -7.395 1.023 1.00 0.00 C ATOM 684 CE1 PHE A 46 -5.418 -9.222 -0.740 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.348 -7.062 -0.310 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.806 -7.976 -1.192 1.00 0.00 C ATOM 0 H PHE A 46 -8.596 -8.067 2.967 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.519 -10.711 2.550 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.334 -8.085 3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.393 -9.541 3.274 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.264 -10.524 0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.923 -6.676 1.708 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.996 -9.940 -1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.654 -6.088 -0.662 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.686 -7.717 -2.234 1.00 0.00 H new ATOM 696 N GLU A 47 -8.506 -9.984 5.431 1.00 0.00 N ATOM 697 CA GLU A 47 -8.595 -10.397 6.826 1.00 0.00 C ATOM 698 C GLU A 47 -7.305 -10.074 7.574 1.00 0.00 C ATOM 699 O GLU A 47 -6.712 -10.940 8.216 1.00 0.00 O ATOM 700 CB GLU A 47 -8.888 -11.897 6.919 1.00 0.00 C ATOM 701 CG GLU A 47 -10.109 -12.329 6.124 1.00 0.00 C ATOM 702 CD GLU A 47 -10.382 -13.816 6.238 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.940 -14.238 7.273 1.00 0.00 O ATOM 704 OE2 GLU A 47 -10.040 -14.557 5.294 1.00 0.00 O ATOM 0 H GLU A 47 -9.279 -9.399 5.114 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.412 -9.844 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.019 -12.451 6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.032 -12.166 7.965 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.980 -11.775 6.474 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.966 -12.069 5.075 1.00 0.00 H new ATOM 711 N VAL A 48 -6.876 -8.818 7.484 1.00 0.00 N ATOM 712 CA VAL A 48 -5.656 -8.378 8.151 1.00 0.00 C ATOM 713 C VAL A 48 -5.835 -6.994 8.766 1.00 0.00 C ATOM 714 O VAL A 48 -6.879 -6.364 8.606 1.00 0.00 O ATOM 715 CB VAL A 48 -4.464 -8.344 7.176 1.00 0.00 C ATOM 716 CG1 VAL A 48 -4.129 -9.748 6.694 1.00 0.00 C ATOM 717 CG2 VAL A 48 -4.762 -7.424 6.002 1.00 0.00 C ATOM 0 H VAL A 48 -7.355 -8.088 6.956 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.449 -9.100 8.941 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.595 -7.950 7.704 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.285 -9.705 6.006 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.870 -10.374 7.548 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.993 -10.173 6.182 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.909 -7.412 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.643 -7.785 5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.948 -6.415 6.369 1.00 0.00 H new ATOM 727 N ASN A 49 -4.809 -6.529 9.471 1.00 0.00 N ATOM 728 CA ASN A 49 -4.853 -5.220 10.111 1.00 0.00 C ATOM 729 C ASN A 49 -3.712 -4.334 9.617 1.00 0.00 C ATOM 730 O ASN A 49 -2.544 -4.721 9.675 1.00 0.00 O ATOM 731 CB ASN A 49 -4.776 -5.369 11.632 1.00 0.00 C ATOM 732 CG ASN A 49 -6.143 -5.548 12.264 1.00 0.00 C ATOM 733 OD1 ASN A 49 -6.703 -6.644 12.259 1.00 0.00 O ATOM 734 ND2 ASN A 49 -6.686 -4.468 12.814 1.00 0.00 N ATOM 0 H ASN A 49 -3.937 -7.039 9.613 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.798 -4.746 9.847 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.149 -6.226 11.879 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.294 -4.488 12.057 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.604 -4.527 13.256 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.185 -3.579 12.795 1.00 0.00 H new ATOM 741 N ILE A 50 -4.059 -3.147 9.133 1.00 0.00 N ATOM 742 CA ILE A 50 -3.064 -2.207 8.631 1.00 0.00 C ATOM 743 C ILE A 50 -2.876 -1.040 9.594 1.00 0.00 C ATOM 744 O ILE A 50 -3.846 -0.489 10.115 1.00 0.00 O ATOM 745 CB ILE A 50 -3.456 -1.658 7.246 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.470 -2.784 6.212 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.497 -0.555 6.824 1.00 0.00 C ATOM 748 CD1 ILE A 50 -3.950 -2.345 4.846 1.00 0.00 C ATOM 0 H ILE A 50 -5.021 -2.813 9.078 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.127 -2.756 8.542 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.459 -1.237 7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.464 -3.194 6.120 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.111 -3.589 6.572 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.786 -0.177 5.844 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.533 0.256 7.551 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.484 -0.953 6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.933 -3.195 4.164 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.967 -1.962 4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.295 -1.561 4.465 1.00 0.00 H new ATOM 760 N HIS A 51 -1.621 -0.667 9.825 1.00 0.00 N ATOM 761 CA HIS A 51 -1.304 0.437 10.723 1.00 0.00 C ATOM 762 C HIS A 51 -0.514 1.520 9.998 1.00 0.00 C ATOM 763 O HIS A 51 0.556 1.258 9.447 1.00 0.00 O ATOM 764 CB HIS A 51 -0.511 -0.069 11.928 1.00 0.00 C ATOM 765 CG HIS A 51 -1.373 -0.554 13.053 1.00 0.00 C ATOM 766 ND1 HIS A 51 -0.944 -1.476 13.985 1.00 0.00 N ATOM 767 CD2 HIS A 51 -2.644 -0.240 13.393 1.00 0.00 C ATOM 768 CE1 HIS A 51 -1.917 -1.708 14.850 1.00 0.00 C ATOM 769 NE2 HIS A 51 -2.959 -0.970 14.513 1.00 0.00 N ATOM 0 H HIS A 51 -0.807 -1.114 9.402 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.242 0.869 11.070 1.00 0.00 H new ATOM 0 HB2 HIS A 51 0.143 -0.880 11.607 1.00 0.00 H new ATOM 0 HB3 HIS A 51 0.131 0.733 12.293 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.291 0.456 12.879 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.868 -2.386 15.689 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -3.852 -0.946 15.005 1.00 0.00 H new ATOM 777 N VAL A 52 -1.047 2.738 9.998 1.00 0.00 N ATOM 778 CA VAL A 52 -0.391 3.861 9.340 1.00 0.00 C ATOM 779 C VAL A 52 0.229 4.811 10.358 1.00 0.00 C ATOM 780 O VAL A 52 -0.413 5.231 11.322 1.00 0.00 O ATOM 781 CB VAL A 52 -1.377 4.646 8.454 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.715 5.898 7.899 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.900 3.766 7.329 1.00 0.00 C ATOM 0 H VAL A 52 -1.932 2.972 10.447 1.00 0.00 H new ATOM 0 HA VAL A 52 0.397 3.443 8.713 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.224 4.953 9.067 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.426 6.440 7.276 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.395 6.536 8.723 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.151 5.617 7.300 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.595 4.337 6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.066 3.427 6.715 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.414 2.903 7.751 1.00 0.00 H new ATOM 793 N PRO A 53 1.506 5.159 10.143 1.00 0.00 N ATOM 794 CA PRO A 53 2.240 6.064 11.032 1.00 0.00 C ATOM 795 C PRO A 53 1.731 7.499 10.946 1.00 0.00 C ATOM 796 O PRO A 53 1.237 7.931 9.904 1.00 0.00 O ATOM 797 CB PRO A 53 3.680 5.975 10.519 1.00 0.00 C ATOM 798 CG PRO A 53 3.548 5.577 9.089 1.00 0.00 C ATOM 799 CD PRO A 53 2.331 4.696 9.015 1.00 0.00 C ATOM 0 HA PRO A 53 2.129 5.785 12.080 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.196 6.930 10.618 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.257 5.242 11.083 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.436 6.452 8.449 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.436 5.045 8.748 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.811 4.808 8.064 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.591 3.642 9.113 1.00 0.00 H new ATOM 807 N ALA A 54 1.857 8.234 12.046 1.00 0.00 N ATOM 808 CA ALA A 54 1.413 9.621 12.093 1.00 0.00 C ATOM 809 C ALA A 54 2.256 10.500 11.176 1.00 0.00 C ATOM 810 O ALA A 54 3.325 10.105 10.710 1.00 0.00 O ATOM 811 CB ALA A 54 1.465 10.144 13.522 1.00 0.00 C ATOM 0 H ALA A 54 2.263 7.891 12.917 1.00 0.00 H new ATOM 0 HA ALA A 54 0.382 9.658 11.741 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.131 11.181 13.542 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.814 9.540 14.154 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.488 10.085 13.894 1.00 0.00 H new ATOM 817 N PRO A 55 1.766 11.719 10.908 1.00 0.00 N ATOM 818 CA PRO A 55 2.458 12.679 10.043 1.00 0.00 C ATOM 819 C PRO A 55 3.730 13.223 10.684 1.00 0.00 C ATOM 820 O PRO A 55 4.688 13.565 9.991 1.00 0.00 O ATOM 821 CB PRO A 55 1.431 13.798 9.860 1.00 0.00 C ATOM 822 CG PRO A 55 0.559 13.713 11.065 1.00 0.00 C ATOM 823 CD PRO A 55 0.497 12.256 11.429 1.00 0.00 C ATOM 0 HA PRO A 55 2.783 12.224 9.107 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.915 14.772 9.790 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.855 13.661 8.944 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.968 14.303 11.885 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.436 14.106 10.855 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.413 12.114 12.507 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.364 11.765 10.975 1.00 0.00 H new ATOM 831 N GLU A 56 3.732 13.302 12.011 1.00 0.00 N ATOM 832 CA GLU A 56 4.887 13.805 12.745 1.00 0.00 C ATOM 833 C GLU A 56 6.089 12.880 12.570 1.00 0.00 C ATOM 834 O GLU A 56 7.233 13.284 12.780 1.00 0.00 O ATOM 835 CB GLU A 56 4.552 13.949 14.231 1.00 0.00 C ATOM 836 CG GLU A 56 4.479 12.623 14.970 1.00 0.00 C ATOM 837 CD GLU A 56 4.565 12.788 16.475 1.00 0.00 C ATOM 838 OE1 GLU A 56 5.677 13.048 16.980 1.00 0.00 O ATOM 839 OE2 GLU A 56 3.521 12.658 17.146 1.00 0.00 O ATOM 0 H GLU A 56 2.947 13.024 12.600 1.00 0.00 H new ATOM 0 HA GLU A 56 5.143 14.785 12.341 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.305 14.579 14.705 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.597 14.464 14.331 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.545 12.121 14.716 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.290 11.978 14.632 1.00 0.00 H new ATOM 846 N LEU A 57 5.819 11.637 12.186 1.00 0.00 N ATOM 847 CA LEU A 57 6.878 10.654 11.984 1.00 0.00 C ATOM 848 C LEU A 57 7.355 10.658 10.535 1.00 0.00 C ATOM 849 O LEU A 57 8.412 10.114 10.219 1.00 0.00 O ATOM 850 CB LEU A 57 6.382 9.257 12.364 1.00 0.00 C ATOM 851 CG LEU A 57 6.034 9.047 13.838 1.00 0.00 C ATOM 852 CD1 LEU A 57 5.223 7.774 14.020 1.00 0.00 C ATOM 853 CD2 LEU A 57 7.300 8.999 14.683 1.00 0.00 C ATOM 0 H LEU A 57 4.878 11.286 12.009 1.00 0.00 H new ATOM 0 HA LEU A 57 7.717 10.923 12.625 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.498 9.032 11.767 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.148 8.533 12.085 1.00 0.00 H new ATOM 0 HG LEU A 57 5.429 9.890 14.171 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.985 7.642 15.075 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.299 7.846 13.446 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.803 6.920 13.669 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.034 8.849 15.729 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.930 8.176 14.347 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.843 9.938 14.578 1.00 0.00 H new ATOM 865 N GLN A 58 6.571 11.279 9.660 1.00 0.00 N ATOM 866 CA GLN A 58 6.915 11.356 8.245 1.00 0.00 C ATOM 867 C GLN A 58 7.533 10.048 7.764 1.00 0.00 C ATOM 868 O GLN A 58 8.540 10.050 7.055 1.00 0.00 O ATOM 869 CB GLN A 58 7.883 12.514 7.997 1.00 0.00 C ATOM 870 CG GLN A 58 7.480 13.804 8.693 1.00 0.00 C ATOM 871 CD GLN A 58 6.589 14.678 7.833 1.00 0.00 C ATOM 872 OE1 GLN A 58 5.970 14.206 6.880 1.00 0.00 O ATOM 873 NE2 GLN A 58 6.520 15.962 8.166 1.00 0.00 N ATOM 0 H GLN A 58 5.693 11.736 9.906 1.00 0.00 H new ATOM 0 HA GLN A 58 5.998 11.532 7.682 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.878 12.224 8.335 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.952 12.696 6.924 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.961 13.565 9.621 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.377 14.361 8.964 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.050 16.311 8.964 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.937 16.599 7.623 1.00 0.00 H new ATOM 882 N SER A 59 6.926 8.932 8.154 1.00 0.00 N ATOM 883 CA SER A 59 7.420 7.616 7.766 1.00 0.00 C ATOM 884 C SER A 59 6.747 7.140 6.482 1.00 0.00 C ATOM 885 O SER A 59 5.561 7.389 6.262 1.00 0.00 O ATOM 886 CB SER A 59 7.177 6.606 8.888 1.00 0.00 C ATOM 887 OG SER A 59 7.962 5.439 8.703 1.00 0.00 O ATOM 0 H SER A 59 6.091 8.913 8.739 1.00 0.00 H new ATOM 0 HA SER A 59 8.492 7.696 7.585 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.417 7.061 9.849 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.121 6.337 8.917 1.00 0.00 H new ATOM 0 HG SER A 59 7.790 4.810 9.434 1.00 0.00 H new ATOM 893 N ASP A 60 7.512 6.455 5.639 1.00 0.00 N ATOM 894 CA ASP A 60 6.991 5.943 4.377 1.00 0.00 C ATOM 895 C ASP A 60 6.905 4.420 4.403 1.00 0.00 C ATOM 896 O ASP A 60 6.785 3.777 3.360 1.00 0.00 O ATOM 897 CB ASP A 60 7.874 6.396 3.215 1.00 0.00 C ATOM 898 CG ASP A 60 8.049 7.902 3.173 1.00 0.00 C ATOM 899 OD1 ASP A 60 8.992 8.408 3.817 1.00 0.00 O ATOM 900 OD2 ASP A 60 7.243 8.574 2.495 1.00 0.00 O ATOM 0 H ASP A 60 8.495 6.241 5.807 1.00 0.00 H new ATOM 0 HA ASP A 60 5.987 6.344 4.237 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.852 5.922 3.299 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.436 6.058 2.276 1.00 0.00 H new ATOM 905 N ILE A 61 6.968 3.850 5.602 1.00 0.00 N ATOM 906 CA ILE A 61 6.897 2.403 5.763 1.00 0.00 C ATOM 907 C ILE A 61 5.706 2.004 6.629 1.00 0.00 C ATOM 908 O ILE A 61 5.718 2.199 7.844 1.00 0.00 O ATOM 909 CB ILE A 61 8.186 1.842 6.393 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.407 2.602 5.870 1.00 0.00 C ATOM 911 CG2 ILE A 61 8.316 0.356 6.100 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.642 2.421 4.387 1.00 0.00 C ATOM 0 H ILE A 61 7.068 4.368 6.475 1.00 0.00 H new ATOM 0 HA ILE A 61 6.776 1.980 4.766 1.00 0.00 H new ATOM 0 HB ILE A 61 8.133 1.976 7.473 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.283 3.664 6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 61 10.292 2.270 6.413 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.232 -0.025 6.552 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.459 -0.173 6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.351 0.199 5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.523 2.988 4.086 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.799 1.364 4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.774 2.780 3.835 1.00 0.00 H new ATOM 924 N ILE A 62 4.683 1.442 5.995 1.00 0.00 N ATOM 925 CA ILE A 62 3.486 1.012 6.708 1.00 0.00 C ATOM 926 C ILE A 62 3.680 -0.369 7.324 1.00 0.00 C ATOM 927 O ILE A 62 4.406 -1.204 6.786 1.00 0.00 O ATOM 928 CB ILE A 62 2.259 0.979 5.778 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.813 2.403 5.436 1.00 0.00 C ATOM 930 CG2 ILE A 62 1.123 0.204 6.429 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.777 2.463 4.336 1.00 0.00 C ATOM 0 H ILE A 62 4.659 1.274 4.989 1.00 0.00 H new ATOM 0 HA ILE A 62 3.312 1.740 7.501 1.00 0.00 H new ATOM 0 HB ILE A 62 2.535 0.473 4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.408 2.873 6.332 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.684 2.986 5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.263 0.189 5.760 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.446 -0.818 6.627 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.845 0.685 7.367 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.508 3.502 4.146 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.186 2.022 3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.110 1.908 4.641 1.00 0.00 H new ATOM 943 N ALA A 63 3.024 -0.602 8.456 1.00 0.00 N ATOM 944 CA ALA A 63 3.122 -1.884 9.144 1.00 0.00 C ATOM 945 C ALA A 63 1.801 -2.644 9.076 1.00 0.00 C ATOM 946 O ALA A 63 0.756 -2.130 9.474 1.00 0.00 O ATOM 947 CB ALA A 63 3.537 -1.675 10.593 1.00 0.00 C ATOM 0 H ALA A 63 2.420 0.079 8.916 1.00 0.00 H new ATOM 0 HA ALA A 63 3.883 -2.481 8.642 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.606 -2.640 11.095 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.507 -1.179 10.626 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.796 -1.056 11.098 1.00 0.00 H new ATOM 953 N ILE A 64 1.857 -3.872 8.569 1.00 0.00 N ATOM 954 CA ILE A 64 0.665 -4.703 8.449 1.00 0.00 C ATOM 955 C ILE A 64 0.770 -5.945 9.328 1.00 0.00 C ATOM 956 O ILE A 64 1.763 -6.673 9.277 1.00 0.00 O ATOM 957 CB ILE A 64 0.427 -5.137 6.991 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.444 -3.921 6.064 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.893 -5.885 6.871 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.316 -4.275 4.599 1.00 0.00 C ATOM 0 H ILE A 64 2.714 -4.313 8.235 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.178 -4.097 8.781 1.00 0.00 H new ATOM 0 HB ILE A 64 1.231 -5.808 6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.371 -3.252 6.340 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.373 -3.371 6.217 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.048 -6.186 5.835 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -0.868 -6.771 7.506 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.709 -5.235 7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.336 -3.364 4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.146 -4.919 4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.626 -4.798 4.432 1.00 0.00 H new ATOM 972 N THR A 65 -0.259 -6.182 10.134 1.00 0.00 N ATOM 973 CA THR A 65 -0.284 -7.336 11.023 1.00 0.00 C ATOM 974 C THR A 65 -1.251 -8.400 10.517 1.00 0.00 C ATOM 975 O THR A 65 -2.341 -8.086 10.041 1.00 0.00 O ATOM 976 CB THR A 65 -0.684 -6.933 12.455 1.00 0.00 C ATOM 977 OG1 THR A 65 0.203 -5.921 12.945 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.650 -8.137 13.385 1.00 0.00 C ATOM 0 H THR A 65 -1.087 -5.589 10.190 1.00 0.00 H new ATOM 0 HA THR A 65 0.726 -7.746 11.037 1.00 0.00 H new ATOM 0 HB THR A 65 -1.701 -6.542 12.428 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.059 -5.669 13.855 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.936 -7.828 14.390 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.347 -8.894 13.026 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.358 -8.552 13.406 1.00 0.00 H new ATOM 986 N GLY A 66 -0.846 -9.662 10.626 1.00 0.00 N ATOM 987 CA GLY A 66 -1.690 -10.753 10.176 1.00 0.00 C ATOM 988 C GLY A 66 -0.902 -12.016 9.889 1.00 0.00 C ATOM 989 O GLY A 66 0.325 -12.028 9.993 1.00 0.00 O ATOM 0 H GLY A 66 0.051 -9.948 11.018 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.443 -10.963 10.936 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.223 -10.448 9.275 1.00 0.00 H new ATOM 993 N LEU A 67 -1.607 -13.083 9.531 1.00 0.00 N ATOM 994 CA LEU A 67 -0.965 -14.358 9.232 1.00 0.00 C ATOM 995 C LEU A 67 -0.135 -14.264 7.954 1.00 0.00 C ATOM 996 O LEU A 67 -0.583 -13.708 6.952 1.00 0.00 O ATOM 997 CB LEU A 67 -2.017 -15.460 9.089 1.00 0.00 C ATOM 998 CG LEU A 67 -2.710 -15.897 10.380 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.665 -17.050 10.110 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.681 -16.288 11.431 1.00 0.00 C ATOM 0 H LEU A 67 -2.623 -13.091 9.441 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.299 -14.604 10.059 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.779 -15.118 8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.541 -16.333 8.642 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.289 -15.056 10.762 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.149 -17.347 11.040 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.422 -16.735 9.392 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.109 -17.895 9.704 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.192 -16.596 12.343 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.075 -17.114 11.058 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.038 -15.434 11.646 1.00 0.00 H new ATOM 1012 N ALA A 68 1.074 -14.811 7.999 1.00 0.00 N ATOM 1013 CA ALA A 68 1.964 -14.794 6.844 1.00 0.00 C ATOM 1014 C ALA A 68 1.183 -14.967 5.546 1.00 0.00 C ATOM 1015 O ALA A 68 1.494 -14.339 4.535 1.00 0.00 O ATOM 1016 CB ALA A 68 3.022 -15.878 6.976 1.00 0.00 C ATOM 0 H ALA A 68 1.461 -15.272 8.823 1.00 0.00 H new ATOM 0 HA ALA A 68 2.458 -13.823 6.812 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.679 -15.853 6.107 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.608 -15.706 7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.538 -16.853 7.037 1.00 0.00 H new ATOM 1022 N ALA A 69 0.168 -15.824 5.582 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.657 -16.080 4.408 1.00 0.00 C ATOM 1024 C ALA A 69 -1.438 -14.833 4.004 1.00 0.00 C ATOM 1025 O ALA A 69 -1.523 -14.499 2.823 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.609 -17.237 4.674 1.00 0.00 C ATOM 0 H ALA A 69 -0.103 -16.353 6.411 1.00 0.00 H new ATOM 0 HA ALA A 69 0.002 -16.348 3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.219 -17.417 3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.035 -18.134 4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.256 -16.990 5.516 1.00 0.00 H new ATOM 1032 N ASN A 70 -2.005 -14.149 4.993 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.780 -12.940 4.740 1.00 0.00 C ATOM 1034 C ASN A 70 -1.864 -11.772 4.386 1.00 0.00 C ATOM 1035 O ASN A 70 -2.164 -10.983 3.489 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.627 -12.587 5.963 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.269 -13.807 6.594 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.193 -14.910 6.055 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.907 -13.612 7.743 1.00 0.00 N ATOM 0 H ASN A 70 -1.942 -14.412 5.977 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.440 -13.131 3.894 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.002 -12.086 6.702 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.404 -11.881 5.671 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.359 -14.395 8.214 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.944 -12.679 8.154 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.746 -11.667 5.096 1.00 0.00 N ATOM 1047 CA LEU A 71 0.214 -10.597 4.858 1.00 0.00 C ATOM 1048 C LEU A 71 0.667 -10.585 3.402 1.00 0.00 C ATOM 1049 O LEU A 71 0.956 -9.529 2.839 1.00 0.00 O ATOM 1050 CB LEU A 71 1.426 -10.755 5.779 1.00 0.00 C ATOM 1051 CG LEU A 71 1.117 -10.961 7.263 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.345 -11.481 7.995 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.629 -9.663 7.891 1.00 0.00 C ATOM 0 H LEU A 71 -0.483 -12.311 5.842 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.278 -9.649 5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.015 -11.603 5.430 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.052 -9.869 5.678 1.00 0.00 H new ATOM 0 HG LEU A 71 0.324 -11.704 7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.108 -11.622 9.049 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.651 -12.433 7.562 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.158 -10.761 7.899 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.414 -9.828 8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.400 -8.899 7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.277 -9.331 7.384 1.00 0.00 H new ATOM 1065 N ASP A 72 0.725 -11.766 2.797 1.00 0.00 N ATOM 1066 CA ASP A 72 1.139 -11.893 1.404 1.00 0.00 C ATOM 1067 C ASP A 72 0.094 -11.293 0.469 1.00 0.00 C ATOM 1068 O ASP A 72 0.372 -10.341 -0.261 1.00 0.00 O ATOM 1069 CB ASP A 72 1.374 -13.362 1.051 1.00 0.00 C ATOM 1070 CG ASP A 72 2.800 -13.800 1.318 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.709 -12.949 1.231 1.00 0.00 O ATOM 1072 OD2 ASP A 72 3.009 -14.996 1.613 1.00 0.00 O ATOM 0 H ASP A 72 0.491 -12.650 3.249 1.00 0.00 H new ATOM 0 HA ASP A 72 2.072 -11.343 1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.691 -13.985 1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.139 -13.522 -0.001 1.00 0.00 H new ATOM 1077 N ARG A 73 -1.110 -11.856 0.496 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.197 -11.379 -0.350 1.00 0.00 C ATOM 1079 C ARG A 73 -2.509 -9.914 -0.060 1.00 0.00 C ATOM 1080 O ARG A 73 -2.860 -9.153 -0.961 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.450 -12.231 -0.137 1.00 0.00 C ATOM 1082 CG ARG A 73 -3.750 -12.517 1.326 1.00 0.00 C ATOM 1083 CD ARG A 73 -5.140 -13.107 1.504 1.00 0.00 C ATOM 1084 NE ARG A 73 -5.594 -13.028 2.889 1.00 0.00 N ATOM 1085 CZ ARG A 73 -6.587 -13.762 3.380 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -7.225 -14.625 2.603 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -6.943 -13.633 4.652 1.00 0.00 N ATOM 0 H ARG A 73 -1.357 -12.644 1.095 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.880 -11.466 -1.389 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.305 -11.722 -0.582 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.331 -13.176 -0.666 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.006 -13.208 1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.668 -11.595 1.902 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.843 -12.578 0.861 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.136 -14.149 1.183 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.123 -12.374 3.514 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.954 -14.727 1.625 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.987 -15.187 2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.454 -12.970 5.254 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.705 -14.197 5.028 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.378 -9.526 1.205 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.645 -8.153 1.613 1.00 0.00 C ATOM 1103 C ALA A 74 -1.554 -7.211 1.116 1.00 0.00 C ATOM 1104 O ALA A 74 -1.840 -6.175 0.515 1.00 0.00 O ATOM 1105 CB ALA A 74 -2.767 -8.067 3.128 1.00 0.00 C ATOM 0 H ALA A 74 -2.089 -10.143 1.964 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.589 -7.844 1.164 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.966 -7.036 3.419 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.586 -8.704 3.464 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.836 -8.400 3.587 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.302 -7.575 1.369 1.00 0.00 N ATOM 1112 CA LYS A 75 0.833 -6.763 0.948 1.00 0.00 C ATOM 1113 C LYS A 75 0.865 -6.621 -0.571 1.00 0.00 C ATOM 1114 O LYS A 75 1.113 -5.536 -1.097 1.00 0.00 O ATOM 1115 CB LYS A 75 2.142 -7.384 1.439 1.00 0.00 C ATOM 1116 CG LYS A 75 3.365 -6.529 1.156 1.00 0.00 C ATOM 1117 CD LYS A 75 4.651 -7.323 1.316 1.00 0.00 C ATOM 1118 CE LYS A 75 5.817 -6.642 0.616 1.00 0.00 C ATOM 1119 NZ LYS A 75 7.113 -6.933 1.290 1.00 0.00 N ATOM 0 H LYS A 75 -0.047 -8.429 1.865 1.00 0.00 H new ATOM 0 HA LYS A 75 0.721 -5.772 1.387 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.071 -7.558 2.513 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.272 -8.357 0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.306 -6.132 0.143 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.377 -5.675 1.833 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.879 -7.439 2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.515 -8.324 0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.864 -6.975 -0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.651 -5.565 0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.883 -6.451 0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.078 -6.592 2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.284 -7.959 1.286 1.00 0.00 H new ATOM 1133 N ALA A 76 0.611 -7.723 -1.270 1.00 0.00 N ATOM 1134 CA ALA A 76 0.606 -7.719 -2.727 1.00 0.00 C ATOM 1135 C ALA A 76 -0.447 -6.760 -3.271 1.00 0.00 C ATOM 1136 O ALA A 76 -0.298 -6.212 -4.362 1.00 0.00 O ATOM 1137 CB ALA A 76 0.367 -9.125 -3.257 1.00 0.00 C ATOM 0 H ALA A 76 0.406 -8.630 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 76 1.582 -7.375 -3.068 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.366 -9.108 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.159 -9.786 -2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.596 -9.490 -2.899 1.00 0.00 H new ATOM 1143 N GLY A 77 -1.513 -6.561 -2.503 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.577 -5.669 -2.925 1.00 0.00 C ATOM 1145 C GLY A 77 -2.181 -4.208 -2.827 1.00 0.00 C ATOM 1146 O GLY A 77 -2.342 -3.448 -3.783 1.00 0.00 O ATOM 0 H GLY A 77 -1.659 -7.002 -1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -2.854 -5.899 -3.954 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.460 -5.845 -2.311 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.662 -3.814 -1.669 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.244 -2.434 -1.449 1.00 0.00 C ATOM 1152 C LEU A 78 -0.218 -2.003 -2.493 1.00 0.00 C ATOM 1153 O LEU A 78 -0.383 -0.976 -3.154 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.656 -2.276 -0.046 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.693 -0.866 0.543 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -2.128 -0.425 0.784 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.110 -0.805 1.834 1.00 0.00 C ATOM 0 H LEU A 78 -1.521 -4.430 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.122 -1.795 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.192 -2.944 0.628 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.381 -2.611 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.240 -0.182 -0.175 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.134 0.581 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.673 -0.428 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.607 -1.112 1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.072 0.206 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.312 -1.502 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.146 -1.076 1.631 1.00 0.00 H new ATOM 1169 N LEU A 79 0.838 -2.795 -2.639 1.00 0.00 N ATOM 1170 CA LEU A 79 1.890 -2.497 -3.606 1.00 0.00 C ATOM 1171 C LEU A 79 1.296 -2.107 -4.955 1.00 0.00 C ATOM 1172 O LEU A 79 1.597 -1.042 -5.492 1.00 0.00 O ATOM 1173 CB LEU A 79 2.814 -3.705 -3.772 1.00 0.00 C ATOM 1174 CG LEU A 79 3.657 -4.079 -2.552 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.229 -5.480 -2.708 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.772 -3.065 -2.344 1.00 0.00 C ATOM 0 H LEU A 79 0.989 -3.648 -2.101 1.00 0.00 H new ATOM 0 HA LEU A 79 2.468 -1.654 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.206 -4.567 -4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.487 -3.510 -4.607 1.00 0.00 H new ATOM 0 HG LEU A 79 3.014 -4.068 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.826 -5.729 -1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.414 -6.197 -2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.858 -5.519 -3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.362 -3.347 -1.472 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.414 -3.044 -3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.340 -2.077 -2.186 1.00 0.00 H new ATOM 1188 N GLU A 80 0.447 -2.976 -5.495 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.191 -2.721 -6.781 1.00 0.00 C ATOM 1190 C GLU A 80 -1.043 -1.456 -6.725 1.00 0.00 C ATOM 1191 O GLU A 80 -1.155 -0.726 -7.709 1.00 0.00 O ATOM 1192 CB GLU A 80 -1.056 -3.914 -7.192 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.259 -5.173 -7.488 1.00 0.00 C ATOM 1194 CD GLU A 80 -1.121 -6.297 -8.027 1.00 0.00 C ATOM 1195 OE1 GLU A 80 -1.996 -6.784 -7.279 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -0.921 -6.692 -9.194 1.00 0.00 O ATOM 0 H GLU A 80 0.185 -3.862 -5.062 1.00 0.00 H new ATOM 0 HA GLU A 80 0.593 -2.577 -7.524 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.770 -4.125 -6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.635 -3.645 -8.076 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.523 -4.942 -8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.238 -5.506 -6.577 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.642 -1.204 -5.566 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.485 -0.030 -5.380 1.00 0.00 C ATOM 1205 C ARG A 81 -1.647 1.246 -5.380 1.00 0.00 C ATOM 1206 O ARG A 81 -2.094 2.295 -5.844 1.00 0.00 O ATOM 1207 CB ARG A 81 -3.268 -0.139 -4.071 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.597 0.599 -4.093 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.699 -0.257 -4.699 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.944 0.489 -4.862 1.00 0.00 N ATOM 1211 CZ ARG A 81 -7.822 0.676 -3.883 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -7.592 0.176 -2.677 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -8.932 1.367 -4.110 1.00 0.00 N ATOM 0 H ARG A 81 -1.559 -1.798 -4.741 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.188 0.017 -6.212 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.450 -1.191 -3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.657 0.254 -3.258 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.873 0.884 -3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.494 1.520 -4.666 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.373 -0.635 -5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.876 -1.124 -4.062 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.151 0.888 -5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.739 -0.354 -2.499 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.268 0.321 -1.927 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.111 1.755 -5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.606 1.511 -3.358 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.430 1.147 -4.855 1.00 0.00 N ATOM 1228 CA VAL A 82 0.471 2.293 -4.794 1.00 0.00 C ATOM 1229 C VAL A 82 0.960 2.682 -6.185 1.00 0.00 C ATOM 1230 O VAL A 82 0.827 3.833 -6.603 1.00 0.00 O ATOM 1231 CB VAL A 82 1.688 2.002 -3.897 1.00 0.00 C ATOM 1232 CG1 VAL A 82 2.726 3.107 -4.029 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.254 1.838 -2.448 1.00 0.00 C ATOM 0 H VAL A 82 -0.045 0.286 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.096 3.120 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 82 2.144 1.068 -4.225 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.579 2.884 -3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.058 3.172 -5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.285 4.058 -3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.127 1.633 -1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.773 2.755 -2.106 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.551 1.009 -2.370 1.00 0.00 H new ATOM 1243 N LYS A 83 1.526 1.715 -6.898 1.00 0.00 N ATOM 1244 CA LYS A 83 2.035 1.955 -8.244 1.00 0.00 C ATOM 1245 C LYS A 83 0.952 2.555 -9.136 1.00 0.00 C ATOM 1246 O LYS A 83 1.199 3.517 -9.863 1.00 0.00 O ATOM 1247 CB LYS A 83 2.549 0.650 -8.857 1.00 0.00 C ATOM 1248 CG LYS A 83 4.017 0.383 -8.575 1.00 0.00 C ATOM 1249 CD LYS A 83 4.341 -1.099 -8.656 1.00 0.00 C ATOM 1250 CE LYS A 83 4.370 -1.586 -10.096 1.00 0.00 C ATOM 1251 NZ LYS A 83 5.655 -1.249 -10.769 1.00 0.00 N ATOM 0 H LYS A 83 1.644 0.757 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 83 2.858 2.666 -8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.957 -0.180 -8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.394 0.679 -9.936 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.631 0.930 -9.291 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.272 0.758 -7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 83 5.307 -1.287 -8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.599 -1.666 -8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.221 -2.666 -10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.543 -1.139 -10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.636 -1.598 -11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.786 -0.217 -10.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.442 -1.696 -10.258 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.245 1.982 -9.073 1.00 0.00 N ATOM 1266 CA GLU A 84 -1.364 2.463 -9.874 1.00 0.00 C ATOM 1267 C GLU A 84 -1.779 3.867 -9.444 1.00 0.00 C ATOM 1268 O GLU A 84 -1.888 4.775 -10.269 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.554 1.509 -9.754 1.00 0.00 C ATOM 1270 CG GLU A 84 -3.427 1.464 -10.996 1.00 0.00 C ATOM 1271 CD GLU A 84 -2.982 0.402 -11.983 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -2.872 -0.775 -11.579 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -2.745 0.747 -13.160 1.00 0.00 O ATOM 0 H GLU A 84 -0.465 1.185 -8.476 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.041 2.501 -10.914 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.184 0.505 -9.544 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.164 1.809 -8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.459 1.273 -10.703 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -3.409 2.439 -11.484 1.00 0.00 H new ATOM 1280 N LEU A 85 -2.008 4.038 -8.146 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.411 5.331 -7.606 1.00 0.00 C ATOM 1282 C LEU A 85 -1.494 6.442 -8.108 1.00 0.00 C ATOM 1283 O LEU A 85 -1.952 7.405 -8.722 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.393 5.294 -6.077 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.630 4.696 -5.405 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.287 4.178 -4.017 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.748 5.726 -5.331 1.00 0.00 C ATOM 0 H LEU A 85 -1.921 3.298 -7.449 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.425 5.539 -7.948 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.520 4.725 -5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.262 6.312 -5.710 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.976 3.856 -6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.180 3.756 -3.555 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.521 3.407 -4.096 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.914 4.999 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.620 5.283 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.412 6.586 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.014 6.048 -6.338 1.00 0.00 H new