USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 536 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 49 TYR OH : rot 38:sc= -0.366 USER MOD Set 1.2: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 24 ASN : amide:sc= 0 X(o=-1.4,f=-1.5) USER MOD Set 2.2: A 28 ASN : amide:sc= -1.4 K(o=-1.4,f=-4.2!) USER MOD Single : A 16 THR OG1 : rot 62:sc= -2.46! USER MOD Single : A 18 MET CE :methyl 139:sc= -0.382 (180deg=-3.36!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -0.537 X(o=-0.54,f=-0.29) USER MOD Single : A 34 HIS : no HD1:sc= -2.61 K(o=-2.6,f=-4.1!) USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= 1.24 (180deg=0.998) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.69 K(o=-1.7,f=-2.5!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 87:sc= 0.00286 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -3.46 K(o=-3.5,f=-4.6!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00707 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -161:sc=-0.00292 (180deg=-0.137) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 183 N GLY A 13 -1.958 -3.481 -8.591 1.00 0.00 N ATOM 184 CA GLY A 13 -0.707 -4.217 -8.943 1.00 0.00 C ATOM 185 C GLY A 13 0.488 -3.257 -9.018 1.00 0.00 C ATOM 186 O GLY A 13 1.622 -3.689 -9.117 1.00 0.00 O ATOM 0 HA2 GLY A 13 -0.513 -4.989 -8.199 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -0.834 -4.722 -9.901 1.00 0.00 H new ATOM 190 N GLY A 14 0.257 -1.964 -8.972 1.00 0.00 N ATOM 191 CA GLY A 14 1.391 -0.997 -9.043 1.00 0.00 C ATOM 192 C GLY A 14 1.857 -0.666 -7.630 1.00 0.00 C ATOM 193 O GLY A 14 3.034 -0.482 -7.377 1.00 0.00 O ATOM 0 H GLY A 14 -0.668 -1.542 -8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.212 -1.423 -9.619 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.078 -0.089 -9.558 1.00 0.00 H new ATOM 197 N ILE A 15 0.933 -0.580 -6.711 1.00 0.00 N ATOM 198 CA ILE A 15 1.295 -0.248 -5.305 1.00 0.00 C ATOM 199 C ILE A 15 1.852 -1.490 -4.608 1.00 0.00 C ATOM 200 O ILE A 15 2.839 -1.420 -3.901 1.00 0.00 O ATOM 201 CB ILE A 15 0.055 0.239 -4.549 1.00 0.00 C ATOM 202 CG1 ILE A 15 -0.719 1.264 -5.398 1.00 0.00 C ATOM 203 CG2 ILE A 15 0.498 0.891 -3.242 1.00 0.00 C ATOM 204 CD1 ILE A 15 -1.997 0.621 -5.939 1.00 0.00 C ATOM 0 H ILE A 15 -0.063 -0.727 -6.876 1.00 0.00 H new ATOM 0 HA ILE A 15 2.050 0.538 -5.311 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.598 -0.609 -4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.966 2.138 -4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.097 1.612 -6.223 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.377 1.242 -2.695 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.036 0.162 -2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.152 1.735 -3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.544 1.348 -6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.738 -0.239 -6.557 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.621 0.295 -5.107 1.00 0.00 H new ATOM 216 N THR A 16 1.226 -2.625 -4.796 1.00 0.00 N ATOM 217 CA THR A 16 1.721 -3.873 -4.138 1.00 0.00 C ATOM 218 C THR A 16 3.159 -4.160 -4.586 1.00 0.00 C ATOM 219 O THR A 16 3.921 -4.794 -3.879 1.00 0.00 O ATOM 220 CB THR A 16 0.824 -5.055 -4.517 1.00 0.00 C ATOM 221 OG1 THR A 16 1.375 -6.250 -3.979 1.00 0.00 O ATOM 222 CG2 THR A 16 0.737 -5.178 -6.038 1.00 0.00 C ATOM 0 H THR A 16 0.395 -2.741 -5.376 1.00 0.00 H new ATOM 0 HA THR A 16 1.698 -3.736 -3.057 1.00 0.00 H new ATOM 0 HB THR A 16 -0.176 -4.892 -4.114 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.399 -6.188 -3.001 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.097 -6.021 -6.299 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.318 -4.262 -6.454 1.00 0.00 H new ATOM 0 HG23 THR A 16 1.734 -5.339 -6.448 1.00 0.00 H new ATOM 230 N ASP A 17 3.535 -3.694 -5.751 1.00 0.00 N ATOM 231 CA ASP A 17 4.921 -3.931 -6.247 1.00 0.00 C ATOM 232 C ASP A 17 5.902 -3.072 -5.446 1.00 0.00 C ATOM 233 O ASP A 17 6.933 -3.544 -5.004 1.00 0.00 O ATOM 234 CB ASP A 17 5.004 -3.554 -7.727 1.00 0.00 C ATOM 235 CG ASP A 17 4.615 -4.760 -8.584 1.00 0.00 C ATOM 236 OD1 ASP A 17 4.974 -5.866 -8.213 1.00 0.00 O ATOM 237 OD2 ASP A 17 3.967 -4.559 -9.597 1.00 0.00 O ATOM 0 H ASP A 17 2.938 -3.158 -6.380 1.00 0.00 H new ATOM 0 HA ASP A 17 5.176 -4.984 -6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.340 -2.716 -7.937 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.015 -3.230 -7.974 1.00 0.00 H new ATOM 242 N MET A 18 5.586 -1.814 -5.255 1.00 0.00 N ATOM 243 CA MET A 18 6.502 -0.922 -4.480 1.00 0.00 C ATOM 244 C MET A 18 6.226 -1.048 -2.971 1.00 0.00 C ATOM 245 O MET A 18 6.978 -0.538 -2.160 1.00 0.00 O ATOM 246 CB MET A 18 6.313 0.534 -4.930 1.00 0.00 C ATOM 247 CG MET A 18 4.883 1.005 -4.640 1.00 0.00 C ATOM 248 SD MET A 18 4.823 1.813 -3.021 1.00 0.00 S ATOM 249 CE MET A 18 5.928 3.192 -3.416 1.00 0.00 C ATOM 0 H MET A 18 4.736 -1.368 -5.601 1.00 0.00 H new ATOM 0 HA MET A 18 7.532 -1.225 -4.670 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.026 1.176 -4.412 1.00 0.00 H new ATOM 0 HB3 MET A 18 6.522 0.621 -5.996 1.00 0.00 H new ATOM 0 HG2 MET A 18 4.554 1.697 -5.415 1.00 0.00 H new ATOM 0 HG3 MET A 18 4.199 0.156 -4.659 1.00 0.00 H new ATOM 0 HE1 MET A 18 5.536 4.110 -2.977 1.00 0.00 H new ATOM 0 HE2 MET A 18 6.920 2.991 -3.011 1.00 0.00 H new ATOM 0 HE3 MET A 18 5.994 3.307 -4.498 1.00 0.00 H new ATOM 259 N LEU A 19 5.172 -1.736 -2.586 1.00 0.00 N ATOM 260 CA LEU A 19 4.874 -1.898 -1.135 1.00 0.00 C ATOM 261 C LEU A 19 5.708 -3.059 -0.617 1.00 0.00 C ATOM 262 O LEU A 19 6.291 -3.003 0.448 1.00 0.00 O ATOM 263 CB LEU A 19 3.387 -2.216 -0.945 1.00 0.00 C ATOM 264 CG LEU A 19 2.604 -0.921 -0.730 1.00 0.00 C ATOM 265 CD1 LEU A 19 1.143 -1.138 -1.130 1.00 0.00 C ATOM 266 CD2 LEU A 19 2.668 -0.525 0.747 1.00 0.00 C ATOM 0 H LEU A 19 4.511 -2.189 -3.217 1.00 0.00 H new ATOM 0 HA LEU A 19 5.110 -0.982 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.004 -2.743 -1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.254 -2.879 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 19 3.038 -0.129 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.583 -0.215 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.092 -1.424 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.712 -1.930 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.110 0.398 0.901 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.233 -1.318 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.707 -0.373 1.038 1.00 0.00 H new ATOM 278 N VAL A 20 5.775 -4.106 -1.390 1.00 0.00 N ATOM 279 CA VAL A 20 6.576 -5.290 -0.996 1.00 0.00 C ATOM 280 C VAL A 20 8.062 -4.941 -1.118 1.00 0.00 C ATOM 281 O VAL A 20 8.892 -5.457 -0.395 1.00 0.00 O ATOM 282 CB VAL A 20 6.235 -6.448 -1.934 1.00 0.00 C ATOM 283 CG1 VAL A 20 6.988 -7.698 -1.496 1.00 0.00 C ATOM 284 CG2 VAL A 20 4.729 -6.717 -1.881 1.00 0.00 C ATOM 0 H VAL A 20 5.301 -4.189 -2.289 1.00 0.00 H new ATOM 0 HA VAL A 20 6.354 -5.578 0.032 1.00 0.00 H new ATOM 0 HB VAL A 20 6.525 -6.188 -2.952 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.744 -8.523 -2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.061 -7.507 -1.531 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.699 -7.959 -0.478 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.483 -7.542 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.441 -6.977 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.189 -5.824 -2.194 1.00 0.00 H new ATOM 294 N GLU A 21 8.398 -4.063 -2.033 1.00 0.00 N ATOM 295 CA GLU A 21 9.824 -3.670 -2.216 1.00 0.00 C ATOM 296 C GLU A 21 10.347 -3.009 -0.938 1.00 0.00 C ATOM 297 O GLU A 21 11.231 -3.533 -0.284 1.00 0.00 O ATOM 298 CB GLU A 21 9.934 -2.684 -3.381 1.00 0.00 C ATOM 299 CG GLU A 21 11.409 -2.449 -3.714 1.00 0.00 C ATOM 300 CD GLU A 21 11.923 -3.590 -4.591 1.00 0.00 C ATOM 301 OE1 GLU A 21 12.402 -4.567 -4.039 1.00 0.00 O ATOM 302 OE2 GLU A 21 11.831 -3.469 -5.802 1.00 0.00 O ATOM 0 H GLU A 21 7.740 -3.602 -2.662 1.00 0.00 H new ATOM 0 HA GLU A 21 10.418 -4.558 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.411 -3.076 -4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.455 -1.741 -3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.529 -1.497 -4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.995 -2.389 -2.797 1.00 0.00 H new ATOM 309 N LEU A 22 9.820 -1.861 -0.581 1.00 0.00 N ATOM 310 CA LEU A 22 10.309 -1.174 0.654 1.00 0.00 C ATOM 311 C LEU A 22 10.015 -2.047 1.882 1.00 0.00 C ATOM 312 O LEU A 22 10.780 -2.082 2.826 1.00 0.00 O ATOM 313 CB LEU A 22 9.666 0.236 0.770 1.00 0.00 C ATOM 314 CG LEU A 22 8.301 0.234 1.491 1.00 0.00 C ATOM 315 CD1 LEU A 22 7.933 1.670 1.861 1.00 0.00 C ATOM 316 CD2 LEU A 22 7.219 -0.331 0.573 1.00 0.00 C ATOM 0 H LEU A 22 9.079 -1.375 -1.087 1.00 0.00 H new ATOM 0 HA LEU A 22 11.389 -1.034 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.349 0.895 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 22 9.539 0.652 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 22 8.371 -0.385 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.970 1.679 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.697 2.083 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.870 2.274 0.956 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.261 -0.327 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.147 0.283 -0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 22 7.476 -1.353 0.294 1.00 0.00 H new ATOM 328 N ALA A 23 8.910 -2.748 1.868 1.00 0.00 N ATOM 329 CA ALA A 23 8.539 -3.627 3.023 1.00 0.00 C ATOM 330 C ALA A 23 9.705 -4.559 3.372 1.00 0.00 C ATOM 331 O ALA A 23 10.101 -4.668 4.517 1.00 0.00 O ATOM 332 CB ALA A 23 7.315 -4.466 2.648 1.00 0.00 C ATOM 0 H ALA A 23 8.241 -2.750 1.098 1.00 0.00 H new ATOM 0 HA ALA A 23 8.310 -3.003 3.887 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.042 -5.107 3.486 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.481 -3.806 2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.549 -5.083 1.781 1.00 0.00 H new ATOM 338 N ASN A 24 10.265 -5.219 2.388 1.00 0.00 N ATOM 339 CA ASN A 24 11.417 -6.131 2.652 1.00 0.00 C ATOM 340 C ASN A 24 12.585 -5.302 3.193 1.00 0.00 C ATOM 341 O ASN A 24 13.352 -5.753 4.022 1.00 0.00 O ATOM 342 CB ASN A 24 11.831 -6.822 1.347 1.00 0.00 C ATOM 343 CG ASN A 24 11.301 -8.257 1.332 1.00 0.00 C ATOM 344 OD1 ASN A 24 11.707 -9.075 2.135 1.00 0.00 O ATOM 345 ND2 ASN A 24 10.404 -8.601 0.449 1.00 0.00 N ATOM 0 H ASN A 24 9.972 -5.164 1.412 1.00 0.00 H new ATOM 0 HA ASN A 24 11.135 -6.890 3.381 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.439 -6.271 0.492 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.917 -6.824 1.254 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.044 -9.555 0.433 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.063 -7.916 -0.225 1.00 0.00 H new ATOM 352 N PHE A 25 12.710 -4.085 2.730 1.00 0.00 N ATOM 353 CA PHE A 25 13.809 -3.196 3.206 1.00 0.00 C ATOM 354 C PHE A 25 13.615 -2.878 4.690 1.00 0.00 C ATOM 355 O PHE A 25 14.553 -2.526 5.378 1.00 0.00 O ATOM 356 CB PHE A 25 13.780 -1.896 2.402 1.00 0.00 C ATOM 357 CG PHE A 25 15.019 -1.088 2.702 1.00 0.00 C ATOM 358 CD1 PHE A 25 16.182 -1.285 1.951 1.00 0.00 C ATOM 359 CD2 PHE A 25 15.001 -0.139 3.732 1.00 0.00 C ATOM 360 CE1 PHE A 25 17.331 -0.535 2.230 1.00 0.00 C ATOM 361 CE2 PHE A 25 16.150 0.611 4.012 1.00 0.00 C ATOM 362 CZ PHE A 25 17.315 0.412 3.260 1.00 0.00 C ATOM 0 H PHE A 25 12.091 -3.666 2.036 1.00 0.00 H new ATOM 0 HA PHE A 25 14.767 -3.698 3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.727 -2.117 1.336 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.889 -1.321 2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.194 -2.016 1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.102 0.014 4.310 1.00 0.00 H new ATOM 0 HE1 PHE A 25 18.229 -0.687 1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 25 16.138 1.342 4.807 1.00 0.00 H new ATOM 0 HZ PHE A 25 18.202 0.990 3.475 1.00 0.00 H new ATOM 372 N GLU A 26 12.409 -2.992 5.186 1.00 0.00 N ATOM 373 CA GLU A 26 12.164 -2.690 6.629 1.00 0.00 C ATOM 374 C GLU A 26 12.613 -3.882 7.475 1.00 0.00 C ATOM 375 O GLU A 26 13.444 -3.750 8.354 1.00 0.00 O ATOM 376 CB GLU A 26 10.667 -2.414 6.887 1.00 0.00 C ATOM 377 CG GLU A 26 9.999 -1.702 5.690 1.00 0.00 C ATOM 378 CD GLU A 26 10.812 -0.471 5.247 1.00 0.00 C ATOM 379 OE1 GLU A 26 11.708 -0.073 5.973 1.00 0.00 O ATOM 380 OE2 GLU A 26 10.519 0.049 4.183 1.00 0.00 O ATOM 0 H GLU A 26 11.586 -3.280 4.656 1.00 0.00 H new ATOM 0 HA GLU A 26 12.732 -1.800 6.901 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.153 -3.355 7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.560 -1.800 7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.905 -2.398 4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.990 -1.395 5.964 1.00 0.00 H new ATOM 387 N LYS A 27 12.073 -5.046 7.212 1.00 0.00 N ATOM 388 CA LYS A 27 12.470 -6.251 7.998 1.00 0.00 C ATOM 389 C LYS A 27 13.934 -6.588 7.706 1.00 0.00 C ATOM 390 O LYS A 27 14.683 -6.946 8.594 1.00 0.00 O ATOM 391 CB LYS A 27 11.583 -7.435 7.601 1.00 0.00 C ATOM 392 CG LYS A 27 11.889 -8.629 8.508 1.00 0.00 C ATOM 393 CD LYS A 27 10.748 -9.644 8.416 1.00 0.00 C ATOM 394 CE LYS A 27 11.295 -11.051 8.663 1.00 0.00 C ATOM 395 NZ LYS A 27 11.712 -11.655 7.366 1.00 0.00 N ATOM 0 H LYS A 27 11.375 -5.212 6.487 1.00 0.00 H new ATOM 0 HA LYS A 27 12.348 -6.049 9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 27 10.532 -7.160 7.686 1.00 0.00 H new ATOM 0 HB3 LYS A 27 11.759 -7.702 6.559 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.829 -9.094 8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 27 12.011 -8.295 9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.977 -9.408 9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.279 -9.592 7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.143 -11.009 9.346 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.534 -11.671 9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.084 -12.612 7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.892 -11.708 6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.451 -11.067 6.931 1.00 0.00 H new ATOM 409 N ASN A 28 14.350 -6.465 6.467 1.00 0.00 N ATOM 410 CA ASN A 28 15.772 -6.767 6.112 1.00 0.00 C ATOM 411 C ASN A 28 16.704 -5.856 6.919 1.00 0.00 C ATOM 412 O ASN A 28 17.841 -6.199 7.188 1.00 0.00 O ATOM 413 CB ASN A 28 15.992 -6.525 4.618 1.00 0.00 C ATOM 414 CG ASN A 28 15.327 -7.643 3.814 1.00 0.00 C ATOM 415 OD1 ASN A 28 14.320 -8.186 4.225 1.00 0.00 O ATOM 416 ND2 ASN A 28 15.850 -8.014 2.679 1.00 0.00 N ATOM 0 H ASN A 28 13.764 -6.168 5.686 1.00 0.00 H new ATOM 0 HA ASN A 28 15.989 -7.810 6.345 1.00 0.00 H new ATOM 0 HB2 ASN A 28 15.576 -5.559 4.331 1.00 0.00 H new ATOM 0 HB3 ASN A 28 17.059 -6.490 4.398 1.00 0.00 H new ATOM 0 HD21 ASN A 28 15.414 -8.760 2.136 1.00 0.00 H new ATOM 0 HD22 ASN A 28 16.695 -7.559 2.334 1.00 0.00 H new ATOM 423 N VAL A 29 16.223 -4.704 7.313 1.00 0.00 N ATOM 424 CA VAL A 29 17.061 -3.767 8.111 1.00 0.00 C ATOM 425 C VAL A 29 16.864 -4.093 9.600 1.00 0.00 C ATOM 426 O VAL A 29 15.946 -4.801 9.969 1.00 0.00 O ATOM 427 CB VAL A 29 16.633 -2.323 7.792 1.00 0.00 C ATOM 428 CG1 VAL A 29 17.305 -1.329 8.751 1.00 0.00 C ATOM 429 CG2 VAL A 29 17.052 -1.987 6.359 1.00 0.00 C ATOM 0 H VAL A 29 15.279 -4.373 7.113 1.00 0.00 H new ATOM 0 HA VAL A 29 18.118 -3.872 7.865 1.00 0.00 H new ATOM 0 HB VAL A 29 15.552 -2.245 7.907 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.987 -0.316 8.506 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.017 -1.562 9.776 1.00 0.00 H new ATOM 0 HG13 VAL A 29 18.388 -1.404 8.652 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.753 -0.966 6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 29 18.134 -2.080 6.265 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.567 -2.676 5.667 1.00 0.00 H new ATOM 439 N SER A 30 17.732 -3.604 10.448 1.00 0.00 N ATOM 440 CA SER A 30 17.617 -3.905 11.906 1.00 0.00 C ATOM 441 C SER A 30 16.530 -3.044 12.559 1.00 0.00 C ATOM 442 O SER A 30 15.511 -3.548 12.993 1.00 0.00 O ATOM 443 CB SER A 30 18.960 -3.630 12.585 1.00 0.00 C ATOM 444 OG SER A 30 19.188 -4.612 13.589 1.00 0.00 O ATOM 0 H SER A 30 18.518 -3.007 10.192 1.00 0.00 H new ATOM 0 HA SER A 30 17.344 -4.954 12.024 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.764 -3.652 11.849 1.00 0.00 H new ATOM 0 HB3 SER A 30 18.960 -2.634 13.027 1.00 0.00 H new ATOM 0 HG SER A 30 20.049 -4.440 14.025 1.00 0.00 H new ATOM 450 N GLN A 31 16.750 -1.757 12.655 1.00 0.00 N ATOM 451 CA GLN A 31 15.742 -0.866 13.308 1.00 0.00 C ATOM 452 C GLN A 31 14.681 -0.415 12.296 1.00 0.00 C ATOM 453 O GLN A 31 14.508 0.766 12.048 1.00 0.00 O ATOM 454 CB GLN A 31 16.456 0.358 13.890 1.00 0.00 C ATOM 455 CG GLN A 31 15.579 0.997 14.967 1.00 0.00 C ATOM 456 CD GLN A 31 15.483 0.059 16.172 1.00 0.00 C ATOM 457 OE1 GLN A 31 16.396 -0.019 16.970 1.00 0.00 O ATOM 458 NE2 GLN A 31 14.408 -0.660 16.338 1.00 0.00 N ATOM 0 H GLN A 31 17.585 -1.284 12.309 1.00 0.00 H new ATOM 0 HA GLN A 31 15.243 -1.419 14.104 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.416 0.064 14.315 1.00 0.00 H new ATOM 0 HB3 GLN A 31 16.665 1.080 13.100 1.00 0.00 H new ATOM 0 HG2 GLN A 31 16.000 1.955 15.272 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.584 1.197 14.569 1.00 0.00 H new ATOM 0 HE21 GLN A 31 13.642 -0.594 15.668 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.333 -1.288 17.138 1.00 0.00 H new ATOM 467 N ALA A 32 13.957 -1.343 11.719 1.00 0.00 N ATOM 468 CA ALA A 32 12.897 -0.963 10.738 1.00 0.00 C ATOM 469 C ALA A 32 11.777 -2.007 10.764 1.00 0.00 C ATOM 470 O ALA A 32 11.447 -2.607 9.756 1.00 0.00 O ATOM 471 CB ALA A 32 13.503 -0.876 9.336 1.00 0.00 C ATOM 0 H ALA A 32 14.055 -2.345 11.885 1.00 0.00 H new ATOM 0 HA ALA A 32 12.483 0.009 11.006 1.00 0.00 H new ATOM 0 HB1 ALA A 32 12.728 -0.599 8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.292 -0.124 9.327 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.922 -1.844 9.060 1.00 0.00 H new ATOM 477 N ILE A 33 11.187 -2.227 11.912 1.00 0.00 N ATOM 478 CA ILE A 33 10.085 -3.228 12.014 1.00 0.00 C ATOM 479 C ILE A 33 8.736 -2.487 12.048 1.00 0.00 C ATOM 480 O ILE A 33 7.764 -2.936 11.484 1.00 0.00 O ATOM 481 CB ILE A 33 10.331 -4.119 13.273 1.00 0.00 C ATOM 482 CG1 ILE A 33 10.450 -5.588 12.843 1.00 0.00 C ATOM 483 CG2 ILE A 33 9.208 -4.002 14.317 1.00 0.00 C ATOM 484 CD1 ILE A 33 11.646 -5.759 11.905 1.00 0.00 C ATOM 0 H ILE A 33 11.423 -1.754 12.785 1.00 0.00 H new ATOM 0 HA ILE A 33 10.063 -3.890 11.149 1.00 0.00 H new ATOM 0 HB ILE A 33 11.252 -3.766 13.736 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.570 -6.224 13.720 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.535 -5.905 12.342 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.435 -4.644 15.169 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.129 -2.968 14.652 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.263 -4.312 13.871 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.725 -6.803 11.603 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.508 -5.136 11.022 1.00 0.00 H new ATOM 0 HD13 ILE A 33 12.559 -5.460 12.421 1.00 0.00 H new ATOM 496 N HIS A 34 8.674 -1.354 12.699 1.00 0.00 N ATOM 497 CA HIS A 34 7.382 -0.581 12.756 1.00 0.00 C ATOM 498 C HIS A 34 6.893 -0.306 11.327 1.00 0.00 C ATOM 499 O HIS A 34 5.735 -0.510 11.001 1.00 0.00 O ATOM 500 CB HIS A 34 7.572 0.759 13.501 1.00 0.00 C ATOM 501 CG HIS A 34 8.908 1.374 13.167 1.00 0.00 C ATOM 502 ND1 HIS A 34 10.046 1.100 13.910 1.00 0.00 N ATOM 503 CD2 HIS A 34 9.311 2.228 12.170 1.00 0.00 C ATOM 504 CE1 HIS A 34 11.066 1.772 13.355 1.00 0.00 C ATOM 505 NE2 HIS A 34 10.674 2.478 12.291 1.00 0.00 N ATOM 0 H HIS A 34 9.456 -0.926 13.194 1.00 0.00 H new ATOM 0 HA HIS A 34 6.645 -1.175 13.297 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.772 1.448 13.230 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.501 0.595 14.576 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.668 2.642 11.408 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.081 1.745 13.724 1.00 0.00 H new ATOM 0 HE2 HIS A 34 11.250 3.073 11.695 1.00 0.00 H new ATOM 513 N LYS A 35 7.778 0.136 10.473 1.00 0.00 N ATOM 514 CA LYS A 35 7.392 0.411 9.059 1.00 0.00 C ATOM 515 C LYS A 35 7.183 -0.913 8.311 1.00 0.00 C ATOM 516 O LYS A 35 6.523 -0.956 7.290 1.00 0.00 O ATOM 517 CB LYS A 35 8.499 1.220 8.375 1.00 0.00 C ATOM 518 CG LYS A 35 9.850 0.508 8.539 1.00 0.00 C ATOM 519 CD LYS A 35 10.889 1.481 9.103 1.00 0.00 C ATOM 520 CE LYS A 35 11.209 2.550 8.057 1.00 0.00 C ATOM 521 NZ LYS A 35 12.360 2.101 7.224 1.00 0.00 N ATOM 0 H LYS A 35 8.756 0.319 10.696 1.00 0.00 H new ATOM 0 HA LYS A 35 6.463 0.981 9.043 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.270 1.343 7.316 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.551 2.219 8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.741 -0.347 9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.186 0.122 7.577 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.509 1.948 10.012 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.796 0.942 9.377 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.338 2.729 7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.447 3.494 8.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.389 2.655 6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.246 2.242 7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.250 1.093 6.995 1.00 0.00 H new ATOM 535 N TYR A 36 7.737 -1.998 8.811 1.00 0.00 N ATOM 536 CA TYR A 36 7.566 -3.322 8.133 1.00 0.00 C ATOM 537 C TYR A 36 6.071 -3.649 8.016 1.00 0.00 C ATOM 538 O TYR A 36 5.507 -3.616 6.940 1.00 0.00 O ATOM 539 CB TYR A 36 8.277 -4.403 8.960 1.00 0.00 C ATOM 540 CG TYR A 36 8.178 -5.742 8.271 1.00 0.00 C ATOM 541 CD1 TYR A 36 8.551 -5.876 6.929 1.00 0.00 C ATOM 542 CD2 TYR A 36 7.718 -6.854 8.984 1.00 0.00 C ATOM 543 CE1 TYR A 36 8.462 -7.121 6.300 1.00 0.00 C ATOM 544 CE2 TYR A 36 7.628 -8.099 8.357 1.00 0.00 C ATOM 545 CZ TYR A 36 8.000 -8.235 7.014 1.00 0.00 C ATOM 546 OH TYR A 36 7.912 -9.464 6.394 1.00 0.00 O ATOM 0 H TYR A 36 8.300 -2.020 9.661 1.00 0.00 H new ATOM 0 HA TYR A 36 7.999 -3.286 7.134 1.00 0.00 H new ATOM 0 HB2 TYR A 36 9.324 -4.134 9.098 1.00 0.00 H new ATOM 0 HB3 TYR A 36 7.830 -4.463 9.952 1.00 0.00 H new ATOM 0 HD1 TYR A 36 8.908 -5.017 6.379 1.00 0.00 H new ATOM 0 HD2 TYR A 36 7.432 -6.750 10.020 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.749 -7.225 5.264 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.271 -8.957 8.908 1.00 0.00 H new ATOM 0 HH TYR A 36 7.575 -10.128 7.031 1.00 0.00 H new ATOM 556 N ASN A 37 5.425 -3.948 9.118 1.00 0.00 N ATOM 557 CA ASN A 37 3.961 -4.264 9.085 1.00 0.00 C ATOM 558 C ASN A 37 3.197 -3.133 8.382 1.00 0.00 C ATOM 559 O ASN A 37 2.131 -3.343 7.835 1.00 0.00 O ATOM 560 CB ASN A 37 3.442 -4.414 10.516 1.00 0.00 C ATOM 561 CG ASN A 37 2.306 -5.437 10.546 1.00 0.00 C ATOM 562 OD1 ASN A 37 1.215 -5.137 10.990 1.00 0.00 O ATOM 563 ND2 ASN A 37 2.516 -6.642 10.091 1.00 0.00 N ATOM 0 H ASN A 37 5.851 -3.987 10.044 1.00 0.00 H new ATOM 0 HA ASN A 37 3.807 -5.194 8.538 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.250 -4.733 11.175 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.089 -3.452 10.888 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.765 -7.332 10.108 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.431 -6.894 9.718 1.00 0.00 H new ATOM 570 N ALA A 38 3.744 -1.940 8.383 1.00 0.00 N ATOM 571 CA ALA A 38 3.066 -0.790 7.707 1.00 0.00 C ATOM 572 C ALA A 38 2.809 -1.132 6.233 1.00 0.00 C ATOM 573 O ALA A 38 1.678 -1.250 5.801 1.00 0.00 O ATOM 574 CB ALA A 38 3.973 0.441 7.786 1.00 0.00 C ATOM 0 H ALA A 38 4.635 -1.714 8.825 1.00 0.00 H new ATOM 0 HA ALA A 38 2.116 -0.587 8.201 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.486 1.284 7.295 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.161 0.688 8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.919 0.228 7.288 1.00 0.00 H new ATOM 580 N TYR A 39 3.854 -1.277 5.461 1.00 0.00 N ATOM 581 CA TYR A 39 3.688 -1.593 4.011 1.00 0.00 C ATOM 582 C TYR A 39 3.359 -3.078 3.831 1.00 0.00 C ATOM 583 O TYR A 39 2.674 -3.456 2.898 1.00 0.00 O ATOM 584 CB TYR A 39 4.982 -1.257 3.262 1.00 0.00 C ATOM 585 CG TYR A 39 5.419 0.147 3.618 1.00 0.00 C ATOM 586 CD1 TYR A 39 4.651 1.244 3.210 1.00 0.00 C ATOM 587 CD2 TYR A 39 6.586 0.348 4.365 1.00 0.00 C ATOM 588 CE1 TYR A 39 5.051 2.543 3.547 1.00 0.00 C ATOM 589 CE2 TYR A 39 6.986 1.646 4.703 1.00 0.00 C ATOM 590 CZ TYR A 39 6.218 2.744 4.294 1.00 0.00 C ATOM 591 OH TYR A 39 6.612 4.024 4.628 1.00 0.00 O ATOM 0 H TYR A 39 4.821 -1.190 5.774 1.00 0.00 H new ATOM 0 HA TYR A 39 2.869 -0.997 3.608 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.763 -1.970 3.525 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.824 -1.339 2.187 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.750 1.088 2.635 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.178 -0.499 4.680 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.460 3.389 3.231 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.886 1.801 5.279 1.00 0.00 H new ATOM 0 HH TYR A 39 7.442 3.986 5.148 1.00 0.00 H new ATOM 601 N ARG A 40 3.840 -3.920 4.712 1.00 0.00 N ATOM 602 CA ARG A 40 3.554 -5.381 4.587 1.00 0.00 C ATOM 603 C ARG A 40 2.047 -5.617 4.718 1.00 0.00 C ATOM 604 O ARG A 40 1.467 -6.393 3.981 1.00 0.00 O ATOM 605 CB ARG A 40 4.288 -6.146 5.692 1.00 0.00 C ATOM 606 CG ARG A 40 4.685 -7.532 5.177 1.00 0.00 C ATOM 607 CD ARG A 40 3.426 -8.358 4.903 1.00 0.00 C ATOM 608 NE ARG A 40 3.787 -9.807 4.833 1.00 0.00 N ATOM 609 CZ ARG A 40 4.127 -10.486 5.911 1.00 0.00 C ATOM 610 NH1 ARG A 40 4.166 -9.920 7.096 1.00 0.00 N ATOM 611 NH2 ARG A 40 4.431 -11.750 5.798 1.00 0.00 N ATOM 0 H ARG A 40 4.418 -3.658 5.511 1.00 0.00 H new ATOM 0 HA ARG A 40 3.896 -5.735 3.615 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.175 -5.594 6.003 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.648 -6.242 6.569 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.275 -7.437 4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.312 -8.038 5.911 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.691 -8.193 5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 40 2.967 -8.041 3.967 1.00 0.00 H new ATOM 0 HE ARG A 40 3.770 -10.282 3.930 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.930 -8.933 7.198 1.00 0.00 H new ATOM 0 HH12 ARG A 40 4.432 -10.468 7.914 1.00 0.00 H new ATOM 0 HH21 ARG A 40 4.404 -12.201 4.884 1.00 0.00 H new ATOM 0 HH22 ARG A 40 4.696 -12.287 6.624 1.00 0.00 H new ATOM 625 N LYS A 41 1.411 -4.954 5.650 1.00 0.00 N ATOM 626 CA LYS A 41 -0.059 -5.133 5.834 1.00 0.00 C ATOM 627 C LYS A 41 -0.800 -4.527 4.640 1.00 0.00 C ATOM 628 O LYS A 41 -1.714 -5.122 4.101 1.00 0.00 O ATOM 629 CB LYS A 41 -0.504 -4.428 7.118 1.00 0.00 C ATOM 630 CG LYS A 41 -0.129 -5.288 8.327 1.00 0.00 C ATOM 631 CD LYS A 41 -1.202 -6.357 8.547 1.00 0.00 C ATOM 632 CE LYS A 41 -0.547 -7.645 9.048 1.00 0.00 C ATOM 633 NZ LYS A 41 -1.378 -8.815 8.644 1.00 0.00 N ATOM 0 H LYS A 41 1.849 -4.294 6.293 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.288 -6.196 5.905 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.029 -3.450 7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.581 -4.259 7.098 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.840 -5.759 8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.035 -4.664 9.216 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.937 -6.005 9.271 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.737 -6.547 7.616 1.00 0.00 H new ATOM 0 HE2 LYS A 41 0.457 -7.739 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.445 -7.615 10.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.933 -9.691 8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.328 -8.726 9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.454 -8.846 7.607 1.00 0.00 H new ATOM 647 N ALA A 42 -0.410 -3.348 4.225 1.00 0.00 N ATOM 648 CA ALA A 42 -1.085 -2.695 3.065 1.00 0.00 C ATOM 649 C ALA A 42 -0.876 -3.545 1.811 1.00 0.00 C ATOM 650 O ALA A 42 -1.797 -3.790 1.058 1.00 0.00 O ATOM 651 CB ALA A 42 -0.489 -1.303 2.844 1.00 0.00 C ATOM 0 H ALA A 42 0.349 -2.809 4.642 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.152 -2.604 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.982 -0.826 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.638 -0.697 3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.578 -1.392 2.640 1.00 0.00 H new ATOM 657 N ALA A 43 0.331 -4.000 1.586 1.00 0.00 N ATOM 658 CA ALA A 43 0.610 -4.842 0.385 1.00 0.00 C ATOM 659 C ALA A 43 -0.240 -6.118 0.433 1.00 0.00 C ATOM 660 O ALA A 43 -0.496 -6.739 -0.581 1.00 0.00 O ATOM 661 CB ALA A 43 2.092 -5.220 0.359 1.00 0.00 C ATOM 0 H ALA A 43 1.137 -3.823 2.185 1.00 0.00 H new ATOM 0 HA ALA A 43 0.360 -4.277 -0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.295 -5.835 -0.518 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.698 -4.315 0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.340 -5.780 1.260 1.00 0.00 H new ATOM 667 N SER A 44 -0.674 -6.517 1.604 1.00 0.00 N ATOM 668 CA SER A 44 -1.501 -7.754 1.718 1.00 0.00 C ATOM 669 C SER A 44 -2.951 -7.449 1.327 1.00 0.00 C ATOM 670 O SER A 44 -3.519 -8.100 0.471 1.00 0.00 O ATOM 671 CB SER A 44 -1.460 -8.260 3.161 1.00 0.00 C ATOM 672 OG SER A 44 -0.303 -9.066 3.343 1.00 0.00 O ATOM 0 H SER A 44 -0.490 -6.037 2.485 1.00 0.00 H new ATOM 0 HA SER A 44 -1.102 -8.516 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.444 -7.418 3.853 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.358 -8.837 3.382 1.00 0.00 H new ATOM 0 HG SER A 44 0.459 -8.496 3.579 1.00 0.00 H new ATOM 678 N VAL A 45 -3.554 -6.473 1.958 1.00 0.00 N ATOM 679 CA VAL A 45 -4.973 -6.128 1.636 1.00 0.00 C ATOM 680 C VAL A 45 -5.050 -5.434 0.270 1.00 0.00 C ATOM 681 O VAL A 45 -5.909 -5.736 -0.536 1.00 0.00 O ATOM 682 CB VAL A 45 -5.540 -5.209 2.733 1.00 0.00 C ATOM 683 CG1 VAL A 45 -4.748 -3.899 2.793 1.00 0.00 C ATOM 684 CG2 VAL A 45 -7.012 -4.896 2.438 1.00 0.00 C ATOM 0 H VAL A 45 -3.124 -5.899 2.684 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.565 -7.042 1.594 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.457 -5.721 3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.161 -3.260 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.703 -4.115 3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.816 -3.389 1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.409 -4.245 3.217 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.091 -4.396 1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.584 -5.824 2.414 1.00 0.00 H new ATOM 694 N ILE A 46 -4.165 -4.505 0.010 1.00 0.00 N ATOM 695 CA ILE A 46 -4.191 -3.784 -1.297 1.00 0.00 C ATOM 696 C ILE A 46 -3.940 -4.778 -2.438 1.00 0.00 C ATOM 697 O ILE A 46 -4.755 -4.928 -3.328 1.00 0.00 O ATOM 698 CB ILE A 46 -3.109 -2.696 -1.297 1.00 0.00 C ATOM 699 CG1 ILE A 46 -3.361 -1.733 -0.132 1.00 0.00 C ATOM 700 CG2 ILE A 46 -3.157 -1.914 -2.613 1.00 0.00 C ATOM 701 CD1 ILE A 46 -2.201 -0.741 -0.026 1.00 0.00 C ATOM 0 H ILE A 46 -3.424 -4.215 0.649 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.166 -3.320 -1.442 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.130 -3.163 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.298 -1.197 -0.286 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.462 -2.291 0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.386 -1.143 -2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.983 -2.594 -3.447 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.136 -1.447 -2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.382 -0.057 0.803 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.272 -1.284 0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.121 -0.174 -0.953 1.00 0.00 H new ATOM 713 N ALA A 47 -2.819 -5.454 -2.415 1.00 0.00 N ATOM 714 CA ALA A 47 -2.510 -6.440 -3.494 1.00 0.00 C ATOM 715 C ALA A 47 -3.574 -7.545 -3.522 1.00 0.00 C ATOM 716 O ALA A 47 -3.744 -8.221 -4.520 1.00 0.00 O ATOM 717 CB ALA A 47 -1.140 -7.065 -3.233 1.00 0.00 C ATOM 0 H ALA A 47 -2.103 -5.365 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.506 -5.925 -4.455 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.913 -7.785 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.379 -6.284 -3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.149 -7.572 -2.268 1.00 0.00 H new ATOM 723 N LYS A 48 -4.289 -7.735 -2.439 1.00 0.00 N ATOM 724 CA LYS A 48 -5.339 -8.796 -2.406 1.00 0.00 C ATOM 725 C LYS A 48 -6.719 -8.142 -2.322 1.00 0.00 C ATOM 726 O LYS A 48 -7.651 -8.706 -1.782 1.00 0.00 O ATOM 727 CB LYS A 48 -5.125 -9.684 -1.182 1.00 0.00 C ATOM 728 CG LYS A 48 -5.921 -10.980 -1.344 1.00 0.00 C ATOM 729 CD LYS A 48 -5.235 -12.103 -0.563 1.00 0.00 C ATOM 730 CE LYS A 48 -5.807 -13.453 -1.001 1.00 0.00 C ATOM 731 NZ LYS A 48 -7.056 -13.734 -0.238 1.00 0.00 N ATOM 0 H LYS A 48 -4.189 -7.199 -1.577 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.275 -9.400 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.065 -9.909 -1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.442 -9.160 -0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.940 -10.841 -0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.991 -11.247 -2.399 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.159 -12.078 -0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.387 -11.962 0.507 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.016 -13.442 -2.071 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.077 -14.243 -0.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.445 -14.651 -0.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.842 -13.762 0.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.753 -12.985 -0.425 1.00 0.00 H new ATOM 745 N TYR A 49 -6.853 -6.954 -2.853 1.00 0.00 N ATOM 746 CA TYR A 49 -8.165 -6.249 -2.810 1.00 0.00 C ATOM 747 C TYR A 49 -8.933 -6.539 -4.112 1.00 0.00 C ATOM 748 O TYR A 49 -8.334 -6.578 -5.168 1.00 0.00 O ATOM 749 CB TYR A 49 -7.909 -4.739 -2.677 1.00 0.00 C ATOM 750 CG TYR A 49 -9.077 -4.047 -1.999 1.00 0.00 C ATOM 751 CD1 TYR A 49 -9.662 -4.595 -0.848 1.00 0.00 C ATOM 752 CD2 TYR A 49 -9.568 -2.844 -2.521 1.00 0.00 C ATOM 753 CE1 TYR A 49 -10.732 -3.942 -0.225 1.00 0.00 C ATOM 754 CE2 TYR A 49 -10.639 -2.193 -1.898 1.00 0.00 C ATOM 755 CZ TYR A 49 -11.222 -2.742 -0.751 1.00 0.00 C ATOM 756 OH TYR A 49 -12.277 -2.099 -0.137 1.00 0.00 O ATOM 0 H TYR A 49 -6.104 -6.440 -3.317 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.755 -6.594 -1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -6.998 -4.570 -2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.748 -4.305 -3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.286 -5.522 -0.442 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.119 -2.418 -3.406 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.179 -4.365 0.662 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.016 -1.266 -2.303 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.189 -2.181 0.836 1.00 0.00 H new ATOM 766 N PRO A 50 -10.237 -6.742 -4.018 1.00 0.00 N ATOM 767 CA PRO A 50 -11.105 -7.037 -5.201 1.00 0.00 C ATOM 768 C PRO A 50 -11.565 -5.747 -5.889 1.00 0.00 C ATOM 769 O PRO A 50 -12.412 -5.782 -6.762 1.00 0.00 O ATOM 770 CB PRO A 50 -12.293 -7.769 -4.595 1.00 0.00 C ATOM 771 CG PRO A 50 -12.383 -7.358 -3.136 1.00 0.00 C ATOM 772 CD PRO A 50 -11.053 -6.706 -2.750 1.00 0.00 C ATOM 0 HA PRO A 50 -10.586 -7.614 -5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -13.212 -7.513 -5.123 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.165 -8.848 -4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.208 -6.661 -2.986 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -12.580 -8.226 -2.506 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.198 -5.684 -2.400 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -10.561 -7.252 -1.945 1.00 0.00 H new ATOM 780 N HIS A 51 -11.031 -4.611 -5.502 1.00 0.00 N ATOM 781 CA HIS A 51 -11.468 -3.332 -6.143 1.00 0.00 C ATOM 782 C HIS A 51 -10.291 -2.357 -6.200 1.00 0.00 C ATOM 783 O HIS A 51 -9.245 -2.601 -5.630 1.00 0.00 O ATOM 784 CB HIS A 51 -12.617 -2.717 -5.331 1.00 0.00 C ATOM 785 CG HIS A 51 -13.647 -3.777 -5.032 1.00 0.00 C ATOM 786 ND1 HIS A 51 -14.483 -4.294 -6.009 1.00 0.00 N ATOM 787 CD2 HIS A 51 -13.963 -4.449 -3.876 1.00 0.00 C ATOM 788 CE1 HIS A 51 -15.251 -5.235 -5.430 1.00 0.00 C ATOM 789 NE2 HIS A 51 -14.975 -5.369 -4.130 1.00 0.00 N ATOM 0 H HIS A 51 -10.319 -4.516 -4.778 1.00 0.00 H new ATOM 0 HA HIS A 51 -11.813 -3.534 -7.157 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -12.234 -2.295 -4.402 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.073 -1.899 -5.889 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -13.496 -4.287 -2.916 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -16.000 -5.812 -5.953 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -15.412 -6.008 -3.466 1.00 0.00 H new ATOM 797 N LYS A 52 -10.456 -1.257 -6.890 1.00 0.00 N ATOM 798 CA LYS A 52 -9.353 -0.259 -6.994 1.00 0.00 C ATOM 799 C LYS A 52 -9.530 0.813 -5.918 1.00 0.00 C ATOM 800 O LYS A 52 -10.638 1.185 -5.579 1.00 0.00 O ATOM 801 CB LYS A 52 -9.387 0.395 -8.378 1.00 0.00 C ATOM 802 CG LYS A 52 -8.100 1.192 -8.599 1.00 0.00 C ATOM 803 CD LYS A 52 -7.989 1.583 -10.074 1.00 0.00 C ATOM 804 CE LYS A 52 -8.934 2.749 -10.366 1.00 0.00 C ATOM 805 NZ LYS A 52 -8.503 3.437 -11.617 1.00 0.00 N ATOM 0 H LYS A 52 -11.311 -1.008 -7.387 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.395 -0.760 -6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.492 -0.368 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.253 1.052 -8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.101 2.085 -7.974 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.236 0.597 -8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.963 1.865 -10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.239 0.731 -10.707 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.956 2.385 -10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.931 3.451 -9.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.146 4.230 -11.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.534 3.797 -11.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.528 2.764 -12.410 1.00 0.00 H new ATOM 819 N ILE A 53 -8.445 1.312 -5.383 1.00 0.00 N ATOM 820 CA ILE A 53 -8.541 2.363 -4.328 1.00 0.00 C ATOM 821 C ILE A 53 -8.837 3.713 -4.983 1.00 0.00 C ATOM 822 O ILE A 53 -8.038 4.234 -5.738 1.00 0.00 O ATOM 823 CB ILE A 53 -7.217 2.446 -3.564 1.00 0.00 C ATOM 824 CG1 ILE A 53 -6.823 1.052 -3.068 1.00 0.00 C ATOM 825 CG2 ILE A 53 -7.377 3.382 -2.366 1.00 0.00 C ATOM 826 CD1 ILE A 53 -5.401 1.091 -2.507 1.00 0.00 C ATOM 0 H ILE A 53 -7.495 1.036 -5.632 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.343 2.109 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.441 2.830 -4.227 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.519 0.718 -2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.883 0.334 -3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.434 3.441 -1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.657 4.376 -2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.154 2.998 -1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -5.122 0.098 -2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.710 1.406 -3.289 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.356 1.797 -1.677 1.00 0.00 H new ATOM 838 N LYS A 54 -9.983 4.279 -4.700 1.00 0.00 N ATOM 839 CA LYS A 54 -10.344 5.595 -5.303 1.00 0.00 C ATOM 840 C LYS A 54 -9.534 6.706 -4.631 1.00 0.00 C ATOM 841 O LYS A 54 -9.211 7.707 -5.244 1.00 0.00 O ATOM 842 CB LYS A 54 -11.837 5.859 -5.098 1.00 0.00 C ATOM 843 CG LYS A 54 -12.350 6.779 -6.208 1.00 0.00 C ATOM 844 CD LYS A 54 -13.879 6.773 -6.213 1.00 0.00 C ATOM 845 CE LYS A 54 -14.381 5.494 -6.887 1.00 0.00 C ATOM 846 NZ LYS A 54 -15.726 5.742 -7.479 1.00 0.00 N ATOM 0 H LYS A 54 -10.686 3.884 -4.075 1.00 0.00 H new ATOM 0 HA LYS A 54 -10.121 5.577 -6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.388 4.919 -5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.006 6.318 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -11.981 7.793 -6.054 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.972 6.446 -7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -14.257 6.832 -5.192 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.255 7.648 -6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -13.682 5.180 -7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.435 4.684 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.069 4.874 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.389 6.022 -6.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.660 6.503 -8.185 1.00 0.00 H new ATOM 860 N SER A 55 -9.207 6.536 -3.375 1.00 0.00 N ATOM 861 CA SER A 55 -8.419 7.578 -2.653 1.00 0.00 C ATOM 862 C SER A 55 -7.857 6.988 -1.360 1.00 0.00 C ATOM 863 O SER A 55 -8.068 5.831 -1.051 1.00 0.00 O ATOM 864 CB SER A 55 -9.327 8.763 -2.322 1.00 0.00 C ATOM 865 OG SER A 55 -10.636 8.285 -2.037 1.00 0.00 O ATOM 0 H SER A 55 -9.453 5.718 -2.818 1.00 0.00 H new ATOM 0 HA SER A 55 -7.597 7.915 -3.284 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.933 9.310 -1.466 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.356 9.459 -3.160 1.00 0.00 H new ATOM 0 HG SER A 55 -11.221 9.041 -1.823 1.00 0.00 H new ATOM 871 N GLY A 56 -7.139 7.779 -0.601 1.00 0.00 N ATOM 872 CA GLY A 56 -6.553 7.277 0.679 1.00 0.00 C ATOM 873 C GLY A 56 -7.669 6.786 1.607 1.00 0.00 C ATOM 874 O GLY A 56 -7.461 5.914 2.430 1.00 0.00 O ATOM 0 H GLY A 56 -6.933 8.755 -0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.854 6.466 0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.987 8.071 1.166 1.00 0.00 H new ATOM 878 N ALA A 57 -8.849 7.340 1.478 1.00 0.00 N ATOM 879 CA ALA A 57 -9.984 6.907 2.348 1.00 0.00 C ATOM 880 C ALA A 57 -10.299 5.435 2.079 1.00 0.00 C ATOM 881 O ALA A 57 -10.577 4.674 2.987 1.00 0.00 O ATOM 882 CB ALA A 57 -11.217 7.758 2.038 1.00 0.00 C ATOM 0 H ALA A 57 -9.075 8.074 0.807 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.709 7.034 3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.046 7.443 2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -10.992 8.807 2.229 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.493 7.631 0.991 1.00 0.00 H new ATOM 888 N GLU A 58 -10.254 5.030 0.835 1.00 0.00 N ATOM 889 CA GLU A 58 -10.546 3.607 0.491 1.00 0.00 C ATOM 890 C GLU A 58 -9.412 2.708 0.997 1.00 0.00 C ATOM 891 O GLU A 58 -9.600 1.525 1.212 1.00 0.00 O ATOM 892 CB GLU A 58 -10.671 3.465 -1.027 1.00 0.00 C ATOM 893 CG GLU A 58 -12.093 3.834 -1.457 1.00 0.00 C ATOM 894 CD GLU A 58 -12.500 2.986 -2.664 1.00 0.00 C ATOM 895 OE1 GLU A 58 -12.102 1.834 -2.716 1.00 0.00 O ATOM 896 OE2 GLU A 58 -13.203 3.504 -3.516 1.00 0.00 O ATOM 0 H GLU A 58 -10.026 5.627 0.040 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.481 3.307 0.964 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.949 4.113 -1.525 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.442 2.443 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.787 3.669 -0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.144 4.893 -1.710 1.00 0.00 H new ATOM 903 N ALA A 59 -8.235 3.256 1.187 1.00 0.00 N ATOM 904 CA ALA A 59 -7.090 2.434 1.677 1.00 0.00 C ATOM 905 C ALA A 59 -7.107 2.384 3.208 1.00 0.00 C ATOM 906 O ALA A 59 -6.623 1.444 3.809 1.00 0.00 O ATOM 907 CB ALA A 59 -5.777 3.059 1.204 1.00 0.00 C ATOM 0 H ALA A 59 -8.021 4.240 1.023 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.178 1.422 1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.939 2.460 1.561 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.761 3.092 0.115 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.693 4.072 1.599 1.00 0.00 H new ATOM 913 N LYS A 60 -7.658 3.390 3.843 1.00 0.00 N ATOM 914 CA LYS A 60 -7.706 3.405 5.334 1.00 0.00 C ATOM 915 C LYS A 60 -8.776 2.427 5.823 1.00 0.00 C ATOM 916 O LYS A 60 -8.580 1.712 6.788 1.00 0.00 O ATOM 917 CB LYS A 60 -8.046 4.816 5.820 1.00 0.00 C ATOM 918 CG LYS A 60 -7.379 5.065 7.173 1.00 0.00 C ATOM 919 CD LYS A 60 -8.218 6.057 7.982 1.00 0.00 C ATOM 920 CE LYS A 60 -9.226 5.291 8.840 1.00 0.00 C ATOM 921 NZ LYS A 60 -10.242 6.239 9.378 1.00 0.00 N ATOM 0 H LYS A 60 -8.077 4.202 3.390 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.735 3.107 5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.706 5.554 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.126 4.931 5.909 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.279 4.127 7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.373 5.458 7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.572 6.664 8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.740 6.740 7.312 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.713 4.518 8.245 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.713 4.787 9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.928 5.719 9.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.770 6.961 9.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.738 6.700 8.589 1.00 0.00 H new ATOM 935 N LYS A 61 -9.906 2.391 5.161 1.00 0.00 N ATOM 936 CA LYS A 61 -10.999 1.461 5.579 1.00 0.00 C ATOM 937 C LYS A 61 -10.505 0.009 5.520 1.00 0.00 C ATOM 938 O LYS A 61 -11.031 -0.860 6.190 1.00 0.00 O ATOM 939 CB LYS A 61 -12.200 1.630 4.642 1.00 0.00 C ATOM 940 CG LYS A 61 -11.779 1.342 3.196 1.00 0.00 C ATOM 941 CD LYS A 61 -12.964 1.589 2.260 1.00 0.00 C ATOM 942 CE LYS A 61 -12.771 0.792 0.969 1.00 0.00 C ATOM 943 NZ LYS A 61 -14.101 0.465 0.383 1.00 0.00 N ATOM 0 H LYS A 61 -10.119 2.968 4.347 1.00 0.00 H new ATOM 0 HA LYS A 61 -11.295 1.696 6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.001 0.953 4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.594 2.643 4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.941 1.981 2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -11.438 0.311 3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.893 1.293 2.747 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.047 2.652 2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.180 1.369 0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -12.217 -0.124 1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.970 -0.077 -0.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.649 -0.102 1.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.614 1.345 0.173 1.00 0.00 H new ATOM 957 N LEU A 62 -9.500 -0.259 4.721 1.00 0.00 N ATOM 958 CA LEU A 62 -8.971 -1.652 4.610 1.00 0.00 C ATOM 959 C LEU A 62 -8.477 -2.125 5.992 1.00 0.00 C ATOM 960 O LEU A 62 -7.826 -1.372 6.691 1.00 0.00 O ATOM 961 CB LEU A 62 -7.801 -1.676 3.620 1.00 0.00 C ATOM 962 CG LEU A 62 -8.262 -1.155 2.254 1.00 0.00 C ATOM 963 CD1 LEU A 62 -7.062 -1.075 1.309 1.00 0.00 C ATOM 964 CD2 LEU A 62 -9.309 -2.105 1.666 1.00 0.00 C ATOM 0 H LEU A 62 -9.023 0.430 4.140 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.762 -2.314 4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.983 -1.062 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.418 -2.692 3.521 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.700 -0.164 2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.388 -0.705 0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.317 -0.397 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.625 -2.067 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.635 -1.732 0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.874 -3.097 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.165 -2.164 2.338 1.00 0.00 H new ATOM 976 N PRO A 63 -8.789 -3.357 6.361 1.00 0.00 N ATOM 977 CA PRO A 63 -8.373 -3.942 7.677 1.00 0.00 C ATOM 978 C PRO A 63 -6.918 -4.403 7.615 1.00 0.00 C ATOM 979 O PRO A 63 -6.597 -5.405 7.005 1.00 0.00 O ATOM 980 CB PRO A 63 -9.317 -5.122 7.864 1.00 0.00 C ATOM 981 CG PRO A 63 -9.791 -5.539 6.485 1.00 0.00 C ATOM 982 CD PRO A 63 -9.581 -4.351 5.545 1.00 0.00 C ATOM 0 HA PRO A 63 -8.430 -3.231 8.501 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -8.808 -5.947 8.362 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.162 -4.843 8.493 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.233 -6.408 6.135 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.842 -5.825 6.512 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.040 -4.647 4.646 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.532 -3.929 5.220 1.00 0.00 H new ATOM 990 N GLY A 64 -6.039 -3.667 8.241 1.00 0.00 N ATOM 991 CA GLY A 64 -4.595 -4.037 8.226 1.00 0.00 C ATOM 992 C GLY A 64 -3.751 -2.794 7.938 1.00 0.00 C ATOM 993 O GLY A 64 -2.600 -2.714 8.327 1.00 0.00 O ATOM 0 H GLY A 64 -6.261 -2.821 8.765 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.310 -4.469 9.185 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.412 -4.798 7.467 1.00 0.00 H new ATOM 997 N VAL A 65 -4.313 -1.822 7.258 1.00 0.00 N ATOM 998 CA VAL A 65 -3.543 -0.583 6.942 1.00 0.00 C ATOM 999 C VAL A 65 -3.728 0.435 8.069 1.00 0.00 C ATOM 1000 O VAL A 65 -4.818 0.614 8.581 1.00 0.00 O ATOM 1001 CB VAL A 65 -4.050 0.018 5.629 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -3.144 1.179 5.216 1.00 0.00 C ATOM 1003 CG2 VAL A 65 -4.037 -1.054 4.536 1.00 0.00 C ATOM 0 H VAL A 65 -5.272 -1.836 6.910 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.486 -0.832 6.843 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.068 0.383 5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.505 1.607 4.281 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.155 1.943 5.993 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.126 0.815 5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.398 -0.625 3.601 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.020 -1.420 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.684 -1.881 4.830 1.00 0.00 H new ATOM 1013 N GLY A 66 -2.670 1.100 8.457 1.00 0.00 N ATOM 1014 CA GLY A 66 -2.773 2.110 9.550 1.00 0.00 C ATOM 1015 C GLY A 66 -3.101 3.478 8.951 1.00 0.00 C ATOM 1016 O GLY A 66 -3.803 3.579 7.963 1.00 0.00 O ATOM 0 H GLY A 66 -1.737 0.986 8.062 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.547 1.817 10.259 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.835 2.159 10.104 1.00 0.00 H new ATOM 1020 N THR A 67 -2.595 4.530 9.543 1.00 0.00 N ATOM 1021 CA THR A 67 -2.872 5.897 9.015 1.00 0.00 C ATOM 1022 C THR A 67 -1.687 6.369 8.171 1.00 0.00 C ATOM 1023 O THR A 67 -1.857 7.021 7.157 1.00 0.00 O ATOM 1024 CB THR A 67 -3.081 6.863 10.184 1.00 0.00 C ATOM 1025 OG1 THR A 67 -2.065 6.655 11.156 1.00 0.00 O ATOM 1026 CG2 THR A 67 -4.453 6.615 10.815 1.00 0.00 C ATOM 0 H THR A 67 -2.001 4.499 10.371 1.00 0.00 H new ATOM 0 HA THR A 67 -3.770 5.872 8.398 1.00 0.00 H new ATOM 0 HB THR A 67 -3.032 7.889 9.821 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.197 7.274 11.904 1.00 0.00 H new ATOM 0 HG21 THR A 67 -4.601 7.303 11.647 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.231 6.776 10.069 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.506 5.589 11.179 1.00 0.00 H new ATOM 1034 N LYS A 68 -0.487 6.048 8.585 1.00 0.00 N ATOM 1035 CA LYS A 68 0.716 6.479 7.813 1.00 0.00 C ATOM 1036 C LYS A 68 0.716 5.809 6.434 1.00 0.00 C ATOM 1037 O LYS A 68 0.987 6.442 5.431 1.00 0.00 O ATOM 1038 CB LYS A 68 1.991 6.093 8.579 1.00 0.00 C ATOM 1039 CG LYS A 68 2.037 4.578 8.802 1.00 0.00 C ATOM 1040 CD LYS A 68 2.955 4.264 9.985 1.00 0.00 C ATOM 1041 CE LYS A 68 4.405 4.559 9.599 1.00 0.00 C ATOM 1042 NZ LYS A 68 5.308 4.156 10.714 1.00 0.00 N ATOM 0 H LYS A 68 -0.289 5.505 9.426 1.00 0.00 H new ATOM 0 HA LYS A 68 0.689 7.561 7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.870 6.412 8.020 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.018 6.610 9.538 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.034 4.198 8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.400 4.078 7.904 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.669 4.863 10.850 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.850 3.218 10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.668 4.018 8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.527 5.621 9.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.294 4.357 10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.062 4.691 11.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.199 3.138 10.899 1.00 0.00 H new ATOM 1056 N ILE A 69 0.417 4.534 6.379 1.00 0.00 N ATOM 1057 CA ILE A 69 0.402 3.820 5.069 1.00 0.00 C ATOM 1058 C ILE A 69 -0.799 4.279 4.240 1.00 0.00 C ATOM 1059 O ILE A 69 -0.683 4.539 3.057 1.00 0.00 O ATOM 1060 CB ILE A 69 0.305 2.315 5.321 1.00 0.00 C ATOM 1061 CG1 ILE A 69 1.443 1.884 6.261 1.00 0.00 C ATOM 1062 CG2 ILE A 69 0.404 1.554 3.992 1.00 0.00 C ATOM 1063 CD1 ILE A 69 2.808 2.133 5.603 1.00 0.00 C ATOM 0 H ILE A 69 0.183 3.958 7.188 1.00 0.00 H new ATOM 0 HA ILE A 69 1.318 4.045 4.522 1.00 0.00 H new ATOM 0 HB ILE A 69 -0.654 2.085 5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.378 2.437 7.198 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.339 0.827 6.507 1.00 0.00 H new ATOM 0 HG21 ILE A 69 0.334 0.483 4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.410 1.861 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.358 1.777 3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.602 1.822 6.282 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.876 1.559 4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.916 3.194 5.380 1.00 0.00 H new ATOM 1075 N ALA A 70 -1.953 4.374 4.852 1.00 0.00 N ATOM 1076 CA ALA A 70 -3.173 4.810 4.104 1.00 0.00 C ATOM 1077 C ALA A 70 -2.940 6.197 3.496 1.00 0.00 C ATOM 1078 O ALA A 70 -3.337 6.468 2.378 1.00 0.00 O ATOM 1079 CB ALA A 70 -4.365 4.865 5.060 1.00 0.00 C ATOM 0 H ALA A 70 -2.103 4.168 5.840 1.00 0.00 H new ATOM 0 HA ALA A 70 -3.379 4.098 3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.254 5.183 4.515 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.535 3.877 5.487 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.157 5.575 5.860 1.00 0.00 H new ATOM 1085 N GLU A 71 -2.296 7.074 4.225 1.00 0.00 N ATOM 1086 CA GLU A 71 -2.029 8.443 3.702 1.00 0.00 C ATOM 1087 C GLU A 71 -1.168 8.350 2.439 1.00 0.00 C ATOM 1088 O GLU A 71 -1.369 9.079 1.484 1.00 0.00 O ATOM 1089 CB GLU A 71 -1.289 9.260 4.764 1.00 0.00 C ATOM 1090 CG GLU A 71 -2.305 9.983 5.650 1.00 0.00 C ATOM 1091 CD GLU A 71 -2.784 11.254 4.945 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -1.942 12.054 4.572 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -3.985 11.405 4.789 1.00 0.00 O ATOM 0 H GLU A 71 -1.943 6.896 5.165 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.974 8.930 3.462 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.662 8.606 5.370 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.627 9.983 4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.152 9.329 5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.853 10.235 6.609 1.00 0.00 H new ATOM 1100 N LYS A 72 -0.211 7.456 2.430 1.00 0.00 N ATOM 1101 CA LYS A 72 0.669 7.304 1.235 1.00 0.00 C ATOM 1102 C LYS A 72 -0.171 6.859 0.037 1.00 0.00 C ATOM 1103 O LYS A 72 0.128 7.190 -1.096 1.00 0.00 O ATOM 1104 CB LYS A 72 1.741 6.250 1.524 1.00 0.00 C ATOM 1105 CG LYS A 72 2.909 6.431 0.553 1.00 0.00 C ATOM 1106 CD LYS A 72 4.160 5.762 1.127 1.00 0.00 C ATOM 1107 CE LYS A 72 4.878 6.738 2.061 1.00 0.00 C ATOM 1108 NZ LYS A 72 5.628 7.739 1.251 1.00 0.00 N ATOM 0 H LYS A 72 -0.002 6.824 3.203 1.00 0.00 H new ATOM 0 HA LYS A 72 1.146 8.258 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.091 6.344 2.552 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.320 5.250 1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.662 5.994 -0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.095 7.492 0.386 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.885 4.858 1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.826 5.458 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.156 7.242 2.703 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.562 6.196 2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.356 8.189 1.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.082 7.264 0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.970 8.464 0.899 1.00 0.00 H new ATOM 1122 N ILE A 73 -1.222 6.117 0.281 1.00 0.00 N ATOM 1123 CA ILE A 73 -2.091 5.651 -0.840 1.00 0.00 C ATOM 1124 C ILE A 73 -2.738 6.863 -1.511 1.00 0.00 C ATOM 1125 O ILE A 73 -2.773 6.968 -2.721 1.00 0.00 O ATOM 1126 CB ILE A 73 -3.180 4.719 -0.294 1.00 0.00 C ATOM 1127 CG1 ILE A 73 -2.533 3.559 0.484 1.00 0.00 C ATOM 1128 CG2 ILE A 73 -4.012 4.160 -1.454 1.00 0.00 C ATOM 1129 CD1 ILE A 73 -1.595 2.758 -0.428 1.00 0.00 C ATOM 0 H ILE A 73 -1.515 5.814 1.210 1.00 0.00 H new ATOM 0 HA ILE A 73 -1.489 5.108 -1.569 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.829 5.283 0.376 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.976 3.950 1.335 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.308 2.905 0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.784 3.498 -1.062 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.479 4.982 -1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.365 3.601 -2.130 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.146 1.942 0.138 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -2.162 2.350 -1.265 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.809 3.412 -0.806 1.00 0.00 H new ATOM 1141 N ASP A 74 -3.246 7.788 -0.730 1.00 0.00 N ATOM 1142 CA ASP A 74 -3.891 9.007 -1.313 1.00 0.00 C ATOM 1143 C ASP A 74 -2.909 9.712 -2.253 1.00 0.00 C ATOM 1144 O ASP A 74 -3.275 10.163 -3.322 1.00 0.00 O ATOM 1145 CB ASP A 74 -4.291 9.962 -0.185 1.00 0.00 C ATOM 1146 CG ASP A 74 -5.465 10.830 -0.642 1.00 0.00 C ATOM 1147 OD1 ASP A 74 -5.478 11.211 -1.801 1.00 0.00 O ATOM 1148 OD2 ASP A 74 -6.330 11.100 0.175 1.00 0.00 O ATOM 0 H ASP A 74 -3.241 7.750 0.289 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.778 8.712 -1.873 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.568 9.396 0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -3.445 10.592 0.090 1.00 0.00 H new ATOM 1153 N GLU A 75 -1.660 9.790 -1.868 1.00 0.00 N ATOM 1154 CA GLU A 75 -0.641 10.443 -2.742 1.00 0.00 C ATOM 1155 C GLU A 75 -0.500 9.628 -4.033 1.00 0.00 C ATOM 1156 O GLU A 75 -0.173 10.155 -5.078 1.00 0.00 O ATOM 1157 CB GLU A 75 0.704 10.488 -2.017 1.00 0.00 C ATOM 1158 CG GLU A 75 1.650 11.439 -2.751 1.00 0.00 C ATOM 1159 CD GLU A 75 3.096 10.980 -2.550 1.00 0.00 C ATOM 1160 OE1 GLU A 75 3.351 9.800 -2.729 1.00 0.00 O ATOM 1161 OE2 GLU A 75 3.922 11.815 -2.222 1.00 0.00 O ATOM 0 H GLU A 75 -1.302 9.428 -0.984 1.00 0.00 H new ATOM 0 HA GLU A 75 -0.954 11.460 -2.978 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.563 10.821 -0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.138 9.489 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.409 11.460 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.525 12.455 -2.376 1.00 0.00 H new ATOM 1168 N PHE A 76 -0.753 8.345 -3.961 1.00 0.00 N ATOM 1169 CA PHE A 76 -0.648 7.479 -5.169 1.00 0.00 C ATOM 1170 C PHE A 76 -1.800 7.795 -6.118 1.00 0.00 C ATOM 1171 O PHE A 76 -1.605 8.051 -7.291 1.00 0.00 O ATOM 1172 CB PHE A 76 -0.739 6.007 -4.737 1.00 0.00 C ATOM 1173 CG PHE A 76 0.598 5.339 -4.914 1.00 0.00 C ATOM 1174 CD1 PHE A 76 0.992 4.896 -6.179 1.00 0.00 C ATOM 1175 CD2 PHE A 76 1.440 5.166 -3.812 1.00 0.00 C ATOM 1176 CE1 PHE A 76 2.236 4.277 -6.345 1.00 0.00 C ATOM 1177 CE2 PHE A 76 2.684 4.548 -3.976 1.00 0.00 C ATOM 1178 CZ PHE A 76 3.083 4.102 -5.243 1.00 0.00 C ATOM 0 H PHE A 76 -1.030 7.859 -3.108 1.00 0.00 H new ATOM 0 HA PHE A 76 0.301 7.661 -5.673 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.052 5.943 -3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.495 5.491 -5.329 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.338 5.031 -7.027 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.131 5.509 -2.836 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.543 3.934 -7.322 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.337 4.415 -3.126 1.00 0.00 H new ATOM 0 HZ PHE A 76 4.043 3.624 -5.370 1.00 0.00 H new ATOM 1188 N LEU A 77 -3.000 7.760 -5.610 1.00 0.00 N ATOM 1189 CA LEU A 77 -4.189 8.035 -6.458 1.00 0.00 C ATOM 1190 C LEU A 77 -4.260 9.529 -6.794 1.00 0.00 C ATOM 1191 O LEU A 77 -4.825 9.915 -7.800 1.00 0.00 O ATOM 1192 CB LEU A 77 -5.453 7.622 -5.693 1.00 0.00 C ATOM 1193 CG LEU A 77 -5.616 6.090 -5.674 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -5.599 5.526 -7.097 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.482 5.457 -4.864 1.00 0.00 C ATOM 0 H LEU A 77 -3.208 7.550 -4.634 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.112 7.467 -7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.402 7.998 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.328 8.078 -6.157 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.575 5.853 -5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.715 4.443 -7.060 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.418 5.960 -7.670 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.651 5.773 -7.575 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.603 4.374 -4.854 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.524 5.711 -5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.510 5.835 -3.842 1.00 0.00 H new ATOM 1207 N ALA A 78 -3.695 10.370 -5.964 1.00 0.00 N ATOM 1208 CA ALA A 78 -3.733 11.838 -6.237 1.00 0.00 C ATOM 1209 C ALA A 78 -2.995 12.138 -7.547 1.00 0.00 C ATOM 1210 O ALA A 78 -3.608 12.323 -8.581 1.00 0.00 O ATOM 1211 CB ALA A 78 -3.065 12.589 -5.080 1.00 0.00 C ATOM 0 H ALA A 78 -3.209 10.102 -5.108 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.769 12.165 -6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -3.092 13.661 -5.278 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.598 12.378 -4.153 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.029 12.264 -4.985 1.00 0.00 H new ATOM 1217 N THR A 79 -1.685 12.186 -7.511 1.00 0.00 N ATOM 1218 CA THR A 79 -0.905 12.472 -8.750 1.00 0.00 C ATOM 1219 C THR A 79 -0.334 11.166 -9.306 1.00 0.00 C ATOM 1220 O THR A 79 -0.591 10.799 -10.437 1.00 0.00 O ATOM 1221 CB THR A 79 0.242 13.432 -8.423 1.00 0.00 C ATOM 1222 OG1 THR A 79 1.150 12.795 -7.535 1.00 0.00 O ATOM 1223 CG2 THR A 79 -0.318 14.694 -7.765 1.00 0.00 C ATOM 0 H THR A 79 -1.123 12.039 -6.673 1.00 0.00 H new ATOM 0 HA THR A 79 -1.559 12.928 -9.493 1.00 0.00 H new ATOM 0 HB THR A 79 0.762 13.705 -9.341 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.886 13.407 -7.325 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.499 15.377 -7.533 1.00 0.00 H new ATOM 0 HG22 THR A 79 -1.015 15.181 -8.447 1.00 0.00 H new ATOM 0 HG23 THR A 79 -0.838 14.425 -6.846 1.00 0.00 H new