USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 582 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 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 38 THR OG1 : rot -170:sc= -0.615 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.0953 K(o=-0.095,f=-0.62) USER MOD Single : A 28 SER OG : rot 180:sc= -0.182 USER MOD Single : A 31 GLN : amide:sc= -0.0467 K(o=-0.047,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.12) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 142:sc= -0.285 (180deg=-1.69!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 141:sc= 0.0428 USER MOD Single : A 51 GLN : amide:sc= -0.0486 X(o=-0.049,f=0) USER MOD Single : A 54 SER OG : rot 24:sc= 0.981 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.21 K(o=-0.21,f=-2!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -47:sc= 0.797 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.704 X(o=-0.7,f=-0.79) USER MOD Single : A 78 MET CE :methyl -144:sc= -2.38! (180deg=-5.58!) USER MOD Single : A 83 THR OG1 : rot 170:sc= -0.45 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 15 5.127 15.890 -5.322 1.00 0.00 N ATOM 217 CA ASN A 15 3.930 16.614 -4.910 1.00 0.00 C ATOM 218 C ASN A 15 3.900 16.800 -3.396 1.00 0.00 C ATOM 219 O ASN A 15 4.137 17.898 -2.891 1.00 0.00 O ATOM 220 CB ASN A 15 2.675 15.868 -5.368 1.00 0.00 C ATOM 221 CG ASN A 15 2.581 15.766 -6.878 1.00 0.00 C ATOM 222 OD1 ASN A 15 2.544 16.779 -7.578 1.00 0.00 O ATOM 223 ND2 ASN A 15 2.543 14.541 -7.388 1.00 0.00 N ATOM 0 HA ASN A 15 3.952 17.598 -5.379 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.674 14.866 -4.938 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.792 16.380 -4.986 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.481 14.411 -8.398 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.576 13.730 -6.770 1.00 0.00 H new ATOM 230 N ASP A 16 3.609 15.721 -2.679 1.00 0.00 N ATOM 231 CA ASP A 16 3.550 15.765 -1.222 1.00 0.00 C ATOM 232 C ASP A 16 4.472 14.715 -0.609 1.00 0.00 C ATOM 233 O ASP A 16 5.249 14.070 -1.313 1.00 0.00 O ATOM 234 CB ASP A 16 2.115 15.543 -0.742 1.00 0.00 C ATOM 235 CG ASP A 16 1.610 16.683 0.121 1.00 0.00 C ATOM 236 OD1 ASP A 16 1.586 17.832 -0.369 1.00 0.00 O ATOM 237 OD2 ASP A 16 1.239 16.427 1.285 1.00 0.00 O ATOM 0 H ASP A 16 3.410 14.805 -3.082 1.00 0.00 H new ATOM 0 HA ASP A 16 3.885 16.751 -0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.460 15.427 -1.606 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.064 14.613 -0.176 1.00 0.00 H new ATOM 242 N HIS A 17 4.382 14.551 0.707 1.00 0.00 N ATOM 243 CA HIS A 17 5.209 13.581 1.415 1.00 0.00 C ATOM 244 C HIS A 17 4.598 13.231 2.768 1.00 0.00 C ATOM 245 O HIS A 17 4.823 13.926 3.759 1.00 0.00 O ATOM 246 CB HIS A 17 6.623 14.128 1.606 1.00 0.00 C ATOM 247 CG HIS A 17 7.538 13.186 2.327 1.00 0.00 C ATOM 248 ND1 HIS A 17 8.369 13.582 3.354 1.00 0.00 N ATOM 249 CD2 HIS A 17 7.747 11.858 2.166 1.00 0.00 C ATOM 250 CE1 HIS A 17 9.052 12.539 3.791 1.00 0.00 C ATOM 251 NE2 HIS A 17 8.692 11.480 3.088 1.00 0.00 N ATOM 0 H HIS A 17 3.745 15.077 1.304 1.00 0.00 H new ATOM 0 HA HIS A 17 5.258 12.674 0.813 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.049 14.359 0.630 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.569 15.065 2.160 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.261 11.216 1.447 1.00 0.00 H new ATOM 0 HE1 HIS A 17 9.781 12.550 4.588 1.00 0.00 H new ATOM 0 HE2 HIS A 17 9.057 10.535 3.210 1.00 0.00 H new ATOM 259 N ILE A 18 3.825 12.151 2.802 1.00 0.00 N ATOM 260 CA ILE A 18 3.182 11.710 4.034 1.00 0.00 C ATOM 261 C ILE A 18 3.875 10.477 4.604 1.00 0.00 C ATOM 262 O ILE A 18 4.918 10.054 4.109 1.00 0.00 O ATOM 263 CB ILE A 18 1.693 11.390 3.808 1.00 0.00 C ATOM 264 CG1 ILE A 18 1.542 10.089 3.018 1.00 0.00 C ATOM 265 CG2 ILE A 18 1.008 12.539 3.083 1.00 0.00 C ATOM 266 CD1 ILE A 18 0.104 9.722 2.727 1.00 0.00 C ATOM 0 H ILE A 18 3.629 11.565 1.991 1.00 0.00 H new ATOM 0 HA ILE A 18 3.264 12.532 4.745 1.00 0.00 H new ATOM 0 HB ILE A 18 1.213 11.261 4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.083 10.181 2.076 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.010 9.278 3.576 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.044 12.298 2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.089 13.447 3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.488 12.697 2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.073 8.789 2.164 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.437 9.598 3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.362 10.514 2.142 1.00 0.00 H new ATOM 278 N ASN A 19 3.285 9.903 5.648 1.00 0.00 N ATOM 279 CA ASN A 19 3.845 8.717 6.285 1.00 0.00 C ATOM 280 C ASN A 19 2.803 7.606 6.377 1.00 0.00 C ATOM 281 O ASN A 19 1.608 7.870 6.513 1.00 0.00 O ATOM 282 CB ASN A 19 4.364 9.061 7.683 1.00 0.00 C ATOM 283 CG ASN A 19 5.591 8.253 8.059 1.00 0.00 C ATOM 284 OD1 ASN A 19 6.722 8.718 7.914 1.00 0.00 O ATOM 285 ND2 ASN A 19 5.373 7.037 8.544 1.00 0.00 N ATOM 0 H ASN A 19 2.420 10.240 6.070 1.00 0.00 H new ATOM 0 HA ASN A 19 4.675 8.363 5.673 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.604 10.123 7.727 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.576 8.882 8.414 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.160 6.447 8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.418 6.693 8.647 1.00 0.00 H new ATOM 292 N LEU A 20 3.265 6.363 6.301 1.00 0.00 N ATOM 293 CA LEU A 20 2.374 5.210 6.376 1.00 0.00 C ATOM 294 C LEU A 20 3.047 4.047 7.098 1.00 0.00 C ATOM 295 O LEU A 20 4.274 3.946 7.126 1.00 0.00 O ATOM 296 CB LEU A 20 1.949 4.777 4.972 1.00 0.00 C ATOM 297 CG LEU A 20 0.941 5.684 4.266 1.00 0.00 C ATOM 298 CD1 LEU A 20 0.615 5.144 2.882 1.00 0.00 C ATOM 299 CD2 LEU A 20 -0.326 5.822 5.098 1.00 0.00 C ATOM 0 H LEU A 20 4.251 6.127 6.188 1.00 0.00 H new ATOM 0 HA LEU A 20 1.490 5.502 6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.841 4.706 4.350 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.524 3.775 5.036 1.00 0.00 H new ATOM 0 HG LEU A 20 1.387 6.672 4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.104 5.802 2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.526 5.097 2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.189 4.145 2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.032 6.471 4.580 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.775 4.839 5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.079 6.255 6.068 1.00 0.00 H new ATOM 311 N LYS A 21 2.237 3.169 7.678 1.00 0.00 N ATOM 312 CA LYS A 21 2.753 2.010 8.397 1.00 0.00 C ATOM 313 C LYS A 21 1.917 0.769 8.100 1.00 0.00 C ATOM 314 O LYS A 21 0.743 0.697 8.465 1.00 0.00 O ATOM 315 CB LYS A 21 2.765 2.282 9.903 1.00 0.00 C ATOM 316 CG LYS A 21 3.992 3.042 10.374 1.00 0.00 C ATOM 317 CD LYS A 21 3.736 3.750 11.694 1.00 0.00 C ATOM 318 CE LYS A 21 3.668 2.765 12.851 1.00 0.00 C ATOM 319 NZ LYS A 21 3.597 3.459 14.167 1.00 0.00 N ATOM 0 H LYS A 21 1.219 3.238 7.664 1.00 0.00 H new ATOM 0 HA LYS A 21 3.773 1.829 8.059 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.873 2.849 10.168 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.709 1.333 10.436 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.828 2.352 10.486 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.281 3.772 9.618 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.528 4.475 11.879 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.801 4.307 11.634 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.795 2.124 12.731 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.545 2.118 12.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.552 2.753 14.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.442 4.052 14.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.747 4.057 14.198 1.00 0.00 H new ATOM 333 N VAL A 22 2.529 -0.207 7.437 1.00 0.00 N ATOM 334 CA VAL A 22 1.842 -1.446 7.094 1.00 0.00 C ATOM 335 C VAL A 22 1.986 -2.480 8.205 1.00 0.00 C ATOM 336 O VAL A 22 2.857 -3.348 8.150 1.00 0.00 O ATOM 337 CB VAL A 22 2.381 -2.042 5.780 1.00 0.00 C ATOM 338 CG1 VAL A 22 1.515 -3.207 5.326 1.00 0.00 C ATOM 339 CG2 VAL A 22 2.457 -0.971 4.702 1.00 0.00 C ATOM 0 H VAL A 22 3.500 -0.163 7.127 1.00 0.00 H new ATOM 0 HA VAL A 22 0.788 -1.198 6.966 1.00 0.00 H new ATOM 0 HB VAL A 22 3.388 -2.418 5.958 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.912 -3.615 4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.517 -3.982 6.092 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.494 -2.860 5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.840 -1.409 3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.462 -0.563 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.124 -0.173 5.029 1.00 0.00 H new ATOM 349 N ALA A 23 1.125 -2.382 9.212 1.00 0.00 N ATOM 350 CA ALA A 23 1.154 -3.311 10.336 1.00 0.00 C ATOM 351 C ALA A 23 0.469 -4.626 9.979 1.00 0.00 C ATOM 352 O ALA A 23 -0.739 -4.775 10.155 1.00 0.00 O ATOM 353 CB ALA A 23 0.495 -2.684 11.556 1.00 0.00 C ATOM 0 H ALA A 23 0.398 -1.669 9.273 1.00 0.00 H new ATOM 0 HA ALA A 23 2.196 -3.527 10.571 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.524 -3.388 12.387 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.030 -1.775 11.832 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.541 -2.439 11.324 1.00 0.00 H new ATOM 359 N GLY A 24 1.250 -5.577 9.476 1.00 0.00 N ATOM 360 CA GLY A 24 0.701 -6.867 9.101 1.00 0.00 C ATOM 361 C GLY A 24 0.740 -7.867 10.240 1.00 0.00 C ATOM 362 O GLY A 24 1.788 -8.442 10.532 1.00 0.00 O ATOM 0 H GLY A 24 2.253 -5.477 9.321 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.330 -6.738 8.770 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.260 -7.264 8.254 1.00 0.00 H new ATOM 366 N GLN A 25 -0.403 -8.072 10.885 1.00 0.00 N ATOM 367 CA GLN A 25 -0.493 -9.008 12.000 1.00 0.00 C ATOM 368 C GLN A 25 -0.114 -10.417 11.560 1.00 0.00 C ATOM 369 O GLN A 25 0.327 -11.234 12.369 1.00 0.00 O ATOM 370 CB GLN A 25 -1.908 -9.006 12.582 1.00 0.00 C ATOM 371 CG GLN A 25 -2.960 -9.545 11.625 1.00 0.00 C ATOM 372 CD GLN A 25 -4.304 -8.864 11.791 1.00 0.00 C ATOM 373 OE1 GLN A 25 -4.628 -7.920 11.070 1.00 0.00 O ATOM 374 NE2 GLN A 25 -5.095 -9.340 12.746 1.00 0.00 N ATOM 0 H GLN A 25 -1.279 -7.603 10.655 1.00 0.00 H new ATOM 0 HA GLN A 25 0.209 -8.686 12.769 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.918 -9.603 13.494 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -2.174 -7.988 12.865 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -2.614 -9.413 10.600 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -3.078 -10.617 11.786 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.786 -10.124 13.320 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.011 -8.921 12.905 1.00 0.00 H new ATOM 383 N ASP A 26 -0.288 -10.697 10.273 1.00 0.00 N ATOM 384 CA ASP A 26 0.037 -12.009 9.724 1.00 0.00 C ATOM 385 C ASP A 26 1.446 -12.019 9.140 1.00 0.00 C ATOM 386 O ASP A 26 1.801 -12.906 8.365 1.00 0.00 O ATOM 387 CB ASP A 26 -0.978 -12.401 8.649 1.00 0.00 C ATOM 388 CG ASP A 26 -2.315 -12.809 9.236 1.00 0.00 C ATOM 389 OD1 ASP A 26 -3.104 -11.910 9.593 1.00 0.00 O ATOM 390 OD2 ASP A 26 -2.571 -14.027 9.339 1.00 0.00 O ATOM 0 H ASP A 26 -0.652 -10.033 9.590 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.006 -12.736 10.535 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.124 -11.562 7.968 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.577 -13.225 8.058 1.00 0.00 H new ATOM 395 N GLY A 27 2.245 -11.026 9.517 1.00 0.00 N ATOM 396 CA GLY A 27 3.606 -10.939 9.020 1.00 0.00 C ATOM 397 C GLY A 27 4.484 -10.058 9.885 1.00 0.00 C ATOM 398 O GLY A 27 5.239 -10.553 10.722 1.00 0.00 O ATOM 0 H GLY A 27 1.974 -10.280 10.158 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.036 -11.939 8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.594 -10.547 8.003 1.00 0.00 H new ATOM 402 N SER A 28 4.387 -8.747 9.683 1.00 0.00 N ATOM 403 CA SER A 28 5.184 -7.795 10.448 1.00 0.00 C ATOM 404 C SER A 28 4.875 -6.363 10.022 1.00 0.00 C ATOM 405 O SER A 28 4.353 -6.126 8.933 1.00 0.00 O ATOM 406 CB SER A 28 6.675 -8.083 10.267 1.00 0.00 C ATOM 407 OG SER A 28 7.460 -6.962 10.634 1.00 0.00 O ATOM 0 H SER A 28 3.765 -8.321 8.996 1.00 0.00 H new ATOM 0 HA SER A 28 4.926 -7.906 11.501 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.958 -8.943 10.873 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.874 -8.346 9.228 1.00 0.00 H new ATOM 0 HG SER A 28 8.409 -7.173 10.510 1.00 0.00 H new ATOM 413 N VAL A 29 5.203 -5.411 10.890 1.00 0.00 N ATOM 414 CA VAL A 29 4.963 -4.001 10.605 1.00 0.00 C ATOM 415 C VAL A 29 6.112 -3.399 9.804 1.00 0.00 C ATOM 416 O VAL A 29 7.281 -3.677 10.070 1.00 0.00 O ATOM 417 CB VAL A 29 4.775 -3.190 11.901 1.00 0.00 C ATOM 418 CG1 VAL A 29 6.059 -3.182 12.717 1.00 0.00 C ATOM 419 CG2 VAL A 29 4.327 -1.772 11.582 1.00 0.00 C ATOM 0 H VAL A 29 5.636 -5.590 11.796 1.00 0.00 H new ATOM 0 HA VAL A 29 4.047 -3.949 10.017 1.00 0.00 H new ATOM 0 HB VAL A 29 3.997 -3.666 12.497 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.907 -2.604 13.629 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.331 -4.205 12.977 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.860 -2.731 12.131 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.199 -1.214 12.509 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.080 -1.283 10.965 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.380 -1.802 11.043 1.00 0.00 H new ATOM 429 N VAL A 30 5.771 -2.571 8.821 1.00 0.00 N ATOM 430 CA VAL A 30 6.774 -1.927 7.982 1.00 0.00 C ATOM 431 C VAL A 30 6.408 -0.473 7.705 1.00 0.00 C ATOM 432 O VAL A 30 5.280 -0.170 7.318 1.00 0.00 O ATOM 433 CB VAL A 30 6.941 -2.666 6.641 1.00 0.00 C ATOM 434 CG1 VAL A 30 8.002 -1.989 5.786 1.00 0.00 C ATOM 435 CG2 VAL A 30 7.290 -4.128 6.878 1.00 0.00 C ATOM 0 H VAL A 30 4.808 -2.331 8.587 1.00 0.00 H new ATOM 0 HA VAL A 30 7.716 -1.964 8.530 1.00 0.00 H new ATOM 0 HB VAL A 30 5.994 -2.624 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 30 8.106 -2.525 4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.706 -0.959 5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.955 -1.997 6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.404 -4.635 5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.224 -4.193 7.437 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.492 -4.605 7.448 1.00 0.00 H new ATOM 445 N GLN A 31 7.370 0.422 7.907 1.00 0.00 N ATOM 446 CA GLN A 31 7.148 1.845 7.680 1.00 0.00 C ATOM 447 C GLN A 31 7.600 2.250 6.281 1.00 0.00 C ATOM 448 O GLN A 31 8.614 1.762 5.780 1.00 0.00 O ATOM 449 CB GLN A 31 7.893 2.673 8.729 1.00 0.00 C ATOM 450 CG GLN A 31 7.443 2.395 10.154 1.00 0.00 C ATOM 451 CD GLN A 31 8.570 2.533 11.159 1.00 0.00 C ATOM 452 OE1 GLN A 31 9.603 3.138 10.871 1.00 0.00 O ATOM 453 NE2 GLN A 31 8.377 1.972 12.347 1.00 0.00 N ATOM 0 H GLN A 31 8.310 0.187 8.227 1.00 0.00 H new ATOM 0 HA GLN A 31 6.079 2.038 7.767 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.961 2.471 8.648 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.751 3.732 8.512 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.640 3.083 10.418 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.032 1.387 10.211 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.505 1.480 12.543 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.100 2.033 13.063 1.00 0.00 H new ATOM 462 N PHE A 32 6.842 3.144 5.655 1.00 0.00 N ATOM 463 CA PHE A 32 7.165 3.614 4.312 1.00 0.00 C ATOM 464 C PHE A 32 6.678 5.045 4.105 1.00 0.00 C ATOM 465 O PHE A 32 5.871 5.557 4.881 1.00 0.00 O ATOM 466 CB PHE A 32 6.538 2.693 3.263 1.00 0.00 C ATOM 467 CG PHE A 32 7.549 1.973 2.417 1.00 0.00 C ATOM 468 CD1 PHE A 32 8.116 0.785 2.852 1.00 0.00 C ATOM 469 CD2 PHE A 32 7.933 2.484 1.188 1.00 0.00 C ATOM 470 CE1 PHE A 32 9.046 0.120 2.076 1.00 0.00 C ATOM 471 CE2 PHE A 32 8.863 1.822 0.407 1.00 0.00 C ATOM 472 CZ PHE A 32 9.421 0.640 0.852 1.00 0.00 C ATOM 0 H PHE A 32 6.000 3.558 6.056 1.00 0.00 H new ATOM 0 HA PHE A 32 8.249 3.598 4.199 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.908 1.959 3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.888 3.282 2.616 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.827 0.375 3.808 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.502 3.409 0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.479 -0.805 2.426 1.00 0.00 H new ATOM 0 HE2 PHE A 32 9.153 2.229 -0.550 1.00 0.00 H new ATOM 0 HZ PHE A 32 10.149 0.123 0.245 1.00 0.00 H new ATOM 482 N LYS A 33 7.175 5.686 3.053 1.00 0.00 N ATOM 483 CA LYS A 33 6.792 7.058 2.741 1.00 0.00 C ATOM 484 C LYS A 33 6.210 7.154 1.335 1.00 0.00 C ATOM 485 O LYS A 33 6.620 6.423 0.432 1.00 0.00 O ATOM 486 CB LYS A 33 8.000 7.988 2.869 1.00 0.00 C ATOM 487 CG LYS A 33 9.258 7.446 2.212 1.00 0.00 C ATOM 488 CD LYS A 33 10.078 6.611 3.181 1.00 0.00 C ATOM 489 CE LYS A 33 11.142 7.447 3.875 1.00 0.00 C ATOM 490 NZ LYS A 33 12.109 6.601 4.627 1.00 0.00 N ATOM 0 H LYS A 33 7.845 5.277 2.401 1.00 0.00 H new ATOM 0 HA LYS A 33 6.027 7.366 3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.754 8.952 2.424 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.200 8.166 3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.986 6.840 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.862 8.274 1.843 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.419 6.166 3.927 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.552 5.790 2.644 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.678 8.040 3.134 1.00 0.00 H new ATOM 0 HE3 LYS A 33 10.664 8.148 4.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.818 7.208 5.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.601 6.054 5.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.584 5.949 3.970 1.00 0.00 H new ATOM 504 N ILE A 34 5.254 8.060 1.155 1.00 0.00 N ATOM 505 CA ILE A 34 4.619 8.252 -0.142 1.00 0.00 C ATOM 506 C ILE A 34 4.057 9.663 -0.275 1.00 0.00 C ATOM 507 O ILE A 34 3.899 10.377 0.716 1.00 0.00 O ATOM 508 CB ILE A 34 3.483 7.236 -0.369 1.00 0.00 C ATOM 509 CG1 ILE A 34 3.281 6.991 -1.866 1.00 0.00 C ATOM 510 CG2 ILE A 34 2.195 7.730 0.272 1.00 0.00 C ATOM 511 CD1 ILE A 34 3.364 5.532 -2.256 1.00 0.00 C ATOM 0 H ILE A 34 4.903 8.672 1.891 1.00 0.00 H new ATOM 0 HA ILE A 34 5.390 8.097 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 34 3.760 6.292 0.100 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.308 7.383 -2.162 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.033 7.551 -2.422 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.402 7.002 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.348 7.858 1.344 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.911 8.685 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.211 5.433 -3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.346 5.140 -1.991 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.594 4.970 -1.727 1.00 0.00 H new ATOM 523 N LYS A 35 3.755 10.060 -1.507 1.00 0.00 N ATOM 524 CA LYS A 35 3.207 11.385 -1.771 1.00 0.00 C ATOM 525 C LYS A 35 1.684 11.371 -1.688 1.00 0.00 C ATOM 526 O LYS A 35 1.075 10.323 -1.476 1.00 0.00 O ATOM 527 CB LYS A 35 3.648 11.876 -3.152 1.00 0.00 C ATOM 528 CG LYS A 35 5.127 11.669 -3.427 1.00 0.00 C ATOM 529 CD LYS A 35 5.546 12.315 -4.737 1.00 0.00 C ATOM 530 CE LYS A 35 6.513 11.431 -5.510 1.00 0.00 C ATOM 531 NZ LYS A 35 5.816 10.295 -6.175 1.00 0.00 N ATOM 0 H LYS A 35 3.881 9.483 -2.338 1.00 0.00 H new ATOM 0 HA LYS A 35 3.589 12.066 -1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.069 11.356 -3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.415 12.937 -3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.712 12.089 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.346 10.602 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.664 12.510 -5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.014 13.279 -4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.031 12.029 -6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.273 11.044 -4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.509 9.717 -6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.343 9.710 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.108 10.664 -6.842 1.00 0.00 H new ATOM 545 N ARG A 36 1.076 12.541 -1.856 1.00 0.00 N ATOM 546 CA ARG A 36 -0.376 12.662 -1.800 1.00 0.00 C ATOM 547 C ARG A 36 -1.030 11.907 -2.953 1.00 0.00 C ATOM 548 O ARG A 36 -1.794 10.966 -2.740 1.00 0.00 O ATOM 549 CB ARG A 36 -0.788 14.135 -1.841 1.00 0.00 C ATOM 550 CG ARG A 36 -2.290 14.350 -1.748 1.00 0.00 C ATOM 551 CD ARG A 36 -2.720 14.669 -0.325 1.00 0.00 C ATOM 552 NE ARG A 36 -3.728 15.726 -0.282 1.00 0.00 N ATOM 553 CZ ARG A 36 -3.441 17.019 -0.386 1.00 0.00 C ATOM 554 NH1 ARG A 36 -2.185 17.413 -0.539 1.00 0.00 N ATOM 555 NH2 ARG A 36 -4.414 17.921 -0.338 1.00 0.00 N ATOM 0 H ARG A 36 1.566 13.418 -2.032 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.716 12.223 -0.862 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.302 14.662 -1.020 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.422 14.580 -2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.584 15.165 -2.409 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.809 13.456 -2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.118 13.769 0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -1.850 14.974 0.257 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.705 15.457 -0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.435 16.723 -0.577 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.968 18.407 -0.619 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.382 17.621 -0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.194 18.914 -0.418 1.00 0.00 H new ATOM 569 N HIS A 37 -0.725 12.328 -4.177 1.00 0.00 N ATOM 570 CA HIS A 37 -1.283 11.692 -5.365 1.00 0.00 C ATOM 571 C HIS A 37 -0.351 10.602 -5.886 1.00 0.00 C ATOM 572 O HIS A 37 0.430 10.827 -6.810 1.00 0.00 O ATOM 573 CB HIS A 37 -1.530 12.732 -6.458 1.00 0.00 C ATOM 574 CG HIS A 37 -1.971 12.140 -7.761 1.00 0.00 C ATOM 575 ND1 HIS A 37 -1.445 12.520 -8.977 1.00 0.00 N ATOM 576 CD2 HIS A 37 -2.893 11.187 -8.033 1.00 0.00 C ATOM 577 CE1 HIS A 37 -2.026 11.828 -9.941 1.00 0.00 C ATOM 578 NE2 HIS A 37 -2.908 11.011 -9.395 1.00 0.00 N ATOM 0 H HIS A 37 -0.095 13.106 -4.372 1.00 0.00 H new ATOM 0 HA HIS A 37 -2.232 11.233 -5.089 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -2.288 13.436 -6.113 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -0.615 13.302 -6.619 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -3.503 10.662 -7.313 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -1.815 11.916 -10.997 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -3.503 10.356 -9.902 1.00 0.00 H new ATOM 586 N THR A 38 -0.439 9.418 -5.286 1.00 0.00 N ATOM 587 CA THR A 38 0.396 8.294 -5.687 1.00 0.00 C ATOM 588 C THR A 38 -0.379 6.983 -5.626 1.00 0.00 C ATOM 589 O THR A 38 -1.081 6.694 -4.657 1.00 0.00 O ATOM 590 CB THR A 38 1.649 8.179 -4.798 1.00 0.00 C ATOM 591 OG1 THR A 38 2.438 9.369 -4.906 1.00 0.00 O ATOM 592 CG2 THR A 38 2.485 6.972 -5.194 1.00 0.00 C ATOM 0 H THR A 38 -1.081 9.214 -4.520 1.00 0.00 H new ATOM 0 HA THR A 38 0.705 8.482 -6.715 1.00 0.00 H new ATOM 0 HB THR A 38 1.324 8.052 -3.765 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.303 9.229 -4.468 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.364 6.912 -4.552 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.891 6.065 -5.081 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.800 7.073 -6.233 1.00 0.00 H new ATOM 600 N PRO A 39 -0.251 6.168 -6.683 1.00 0.00 N ATOM 601 CA PRO A 39 -0.931 4.873 -6.773 1.00 0.00 C ATOM 602 C PRO A 39 -0.364 3.852 -5.793 1.00 0.00 C ATOM 603 O PRO A 39 0.756 3.369 -5.963 1.00 0.00 O ATOM 604 CB PRO A 39 -0.670 4.433 -8.215 1.00 0.00 C ATOM 605 CG PRO A 39 0.587 5.133 -8.603 1.00 0.00 C ATOM 606 CD PRO A 39 0.570 6.449 -7.874 1.00 0.00 C ATOM 0 HA PRO A 39 -1.989 4.950 -6.523 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -0.558 3.351 -8.285 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.496 4.711 -8.869 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.462 4.545 -8.327 1.00 0.00 H new ATOM 0 HG3 PRO A 39 0.632 5.285 -9.681 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.575 6.771 -7.602 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.135 7.241 -8.484 1.00 0.00 H new ATOM 614 N LEU A 40 -1.144 3.526 -4.768 1.00 0.00 N ATOM 615 CA LEU A 40 -0.719 2.560 -3.760 1.00 0.00 C ATOM 616 C LEU A 40 -0.221 1.275 -4.414 1.00 0.00 C ATOM 617 O LEU A 40 0.606 0.559 -3.848 1.00 0.00 O ATOM 618 CB LEU A 40 -1.874 2.246 -2.808 1.00 0.00 C ATOM 619 CG LEU A 40 -2.445 3.433 -2.031 1.00 0.00 C ATOM 620 CD1 LEU A 40 -3.720 3.032 -1.305 1.00 0.00 C ATOM 621 CD2 LEU A 40 -1.416 3.972 -1.048 1.00 0.00 C ATOM 0 H LEU A 40 -2.074 3.916 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 40 0.102 3.000 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.681 1.793 -3.384 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.535 1.498 -2.092 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.689 4.224 -2.741 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.112 3.889 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.461 2.695 -2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.502 2.224 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.840 4.816 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.140 3.188 -0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.530 4.299 -1.592 1.00 0.00 H new ATOM 633 N SER A 41 -0.727 0.990 -5.610 1.00 0.00 N ATOM 634 CA SER A 41 -0.334 -0.209 -6.340 1.00 0.00 C ATOM 635 C SER A 41 1.185 -0.335 -6.402 1.00 0.00 C ATOM 636 O SER A 41 1.743 -1.406 -6.160 1.00 0.00 O ATOM 637 CB SER A 41 -0.912 -0.182 -7.756 1.00 0.00 C ATOM 638 OG SER A 41 -1.225 -1.490 -8.204 1.00 0.00 O ATOM 0 H SER A 41 -1.410 1.573 -6.094 1.00 0.00 H new ATOM 0 HA SER A 41 -0.732 -1.074 -5.809 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.809 0.437 -7.774 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.195 0.277 -8.436 1.00 0.00 H new ATOM 0 HG SER A 41 -1.594 -1.446 -9.111 1.00 0.00 H new ATOM 644 N LYS A 42 1.851 0.768 -6.727 1.00 0.00 N ATOM 645 CA LYS A 42 3.306 0.785 -6.820 1.00 0.00 C ATOM 646 C LYS A 42 3.938 0.186 -5.568 1.00 0.00 C ATOM 647 O LYS A 42 4.999 -0.436 -5.632 1.00 0.00 O ATOM 648 CB LYS A 42 3.808 2.217 -7.023 1.00 0.00 C ATOM 649 CG LYS A 42 3.652 3.096 -5.794 1.00 0.00 C ATOM 650 CD LYS A 42 4.933 3.145 -4.977 1.00 0.00 C ATOM 651 CE LYS A 42 5.920 4.150 -5.549 1.00 0.00 C ATOM 652 NZ LYS A 42 7.306 3.908 -5.058 1.00 0.00 N ATOM 0 H LYS A 42 1.406 1.663 -6.931 1.00 0.00 H new ATOM 0 HA LYS A 42 3.598 0.179 -7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.860 2.187 -7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.266 2.669 -7.854 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.376 4.105 -6.100 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.839 2.717 -5.175 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.698 3.410 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.390 2.156 -4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.905 4.094 -6.637 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.609 5.159 -5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.949 4.614 -5.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.326 3.986 -4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.612 2.955 -5.339 1.00 0.00 H new ATOM 666 N LEU A 43 3.280 0.376 -4.429 1.00 0.00 N ATOM 667 CA LEU A 43 3.777 -0.147 -3.162 1.00 0.00 C ATOM 668 C LEU A 43 3.581 -1.657 -3.082 1.00 0.00 C ATOM 669 O LEU A 43 4.437 -2.378 -2.568 1.00 0.00 O ATOM 670 CB LEU A 43 3.065 0.534 -1.992 1.00 0.00 C ATOM 671 CG LEU A 43 3.822 0.552 -0.663 1.00 0.00 C ATOM 672 CD1 LEU A 43 5.151 1.275 -0.816 1.00 0.00 C ATOM 673 CD2 LEU A 43 2.979 1.206 0.422 1.00 0.00 C ATOM 0 H LEU A 43 2.401 0.889 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 43 4.844 0.066 -3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.846 1.563 -2.276 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.108 0.036 -1.835 1.00 0.00 H new ATOM 0 HG LEU A 43 4.024 -0.478 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.676 1.278 0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 43 5.759 0.764 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.972 2.302 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.533 1.210 1.361 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.746 2.231 0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.053 0.646 0.550 1.00 0.00 H new ATOM 685 N MET A 44 2.450 -2.130 -3.595 1.00 0.00 N ATOM 686 CA MET A 44 2.144 -3.556 -3.585 1.00 0.00 C ATOM 687 C MET A 44 3.179 -4.340 -4.385 1.00 0.00 C ATOM 688 O MET A 44 3.813 -5.260 -3.868 1.00 0.00 O ATOM 689 CB MET A 44 0.746 -3.803 -4.155 1.00 0.00 C ATOM 690 CG MET A 44 -0.375 -3.392 -3.215 1.00 0.00 C ATOM 691 SD MET A 44 -1.845 -4.420 -3.396 1.00 0.00 S ATOM 692 CE MET A 44 -3.119 -3.168 -3.535 1.00 0.00 C ATOM 0 H MET A 44 1.730 -1.547 -4.023 1.00 0.00 H new ATOM 0 HA MET A 44 2.173 -3.901 -2.552 1.00 0.00 H new ATOM 0 HB2 MET A 44 0.643 -3.255 -5.092 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.641 -4.862 -4.391 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.020 -3.450 -2.186 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.639 -2.351 -3.403 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.090 -3.649 -3.653 1.00 0.00 H new ATOM 0 HE2 MET A 44 -3.125 -2.554 -2.635 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.918 -2.539 -4.402 1.00 0.00 H new ATOM 702 N LYS A 45 3.345 -3.971 -5.651 1.00 0.00 N ATOM 703 CA LYS A 45 4.303 -4.639 -6.524 1.00 0.00 C ATOM 704 C LYS A 45 5.676 -4.719 -5.864 1.00 0.00 C ATOM 705 O LYS A 45 6.315 -5.770 -5.865 1.00 0.00 O ATOM 706 CB LYS A 45 4.409 -3.899 -7.859 1.00 0.00 C ATOM 707 CG LYS A 45 3.422 -4.389 -8.906 1.00 0.00 C ATOM 708 CD LYS A 45 3.765 -5.790 -9.383 1.00 0.00 C ATOM 709 CE LYS A 45 4.774 -5.760 -10.521 1.00 0.00 C ATOM 710 NZ LYS A 45 6.173 -5.675 -10.019 1.00 0.00 N ATOM 0 H LYS A 45 2.828 -3.212 -6.095 1.00 0.00 H new ATOM 0 HA LYS A 45 3.947 -5.653 -6.705 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.247 -2.835 -7.689 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.422 -4.009 -8.247 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.415 -4.382 -8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.421 -3.705 -9.755 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.169 -6.370 -8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.857 -6.295 -9.713 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.661 -6.656 -11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.567 -4.907 -11.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.792 -6.259 -10.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.494 -4.686 -10.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.212 -6.020 -9.039 1.00 0.00 H new ATOM 724 N ALA A 46 6.123 -3.601 -5.301 1.00 0.00 N ATOM 725 CA ALA A 46 7.418 -3.546 -4.635 1.00 0.00 C ATOM 726 C ALA A 46 7.483 -4.537 -3.478 1.00 0.00 C ATOM 727 O ALA A 46 8.499 -5.203 -3.275 1.00 0.00 O ATOM 728 CB ALA A 46 7.697 -2.134 -4.139 1.00 0.00 C ATOM 0 H ALA A 46 5.607 -2.721 -5.293 1.00 0.00 H new ATOM 0 HA ALA A 46 8.183 -3.823 -5.360 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.668 -2.108 -3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.702 -1.446 -4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.921 -1.836 -3.434 1.00 0.00 H new ATOM 734 N TYR A 47 6.395 -4.630 -2.723 1.00 0.00 N ATOM 735 CA TYR A 47 6.330 -5.538 -1.584 1.00 0.00 C ATOM 736 C TYR A 47 6.767 -6.944 -1.983 1.00 0.00 C ATOM 737 O TYR A 47 7.715 -7.494 -1.421 1.00 0.00 O ATOM 738 CB TYR A 47 4.910 -5.575 -1.015 1.00 0.00 C ATOM 739 CG TYR A 47 4.864 -5.656 0.494 1.00 0.00 C ATOM 740 CD1 TYR A 47 5.751 -6.465 1.194 1.00 0.00 C ATOM 741 CD2 TYR A 47 3.935 -4.921 1.221 1.00 0.00 C ATOM 742 CE1 TYR A 47 5.712 -6.542 2.572 1.00 0.00 C ATOM 743 CE2 TYR A 47 3.890 -4.991 2.600 1.00 0.00 C ATOM 744 CZ TYR A 47 4.780 -5.803 3.271 1.00 0.00 C ATOM 745 OH TYR A 47 4.739 -5.876 4.644 1.00 0.00 O ATOM 0 H TYR A 47 5.545 -4.088 -2.879 1.00 0.00 H new ATOM 0 HA TYR A 47 7.012 -5.169 -0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.374 -4.683 -1.339 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.383 -6.433 -1.433 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.484 -7.043 0.651 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.236 -4.284 0.699 1.00 0.00 H new ATOM 0 HE1 TYR A 47 6.408 -7.177 3.100 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.162 -4.413 3.150 1.00 0.00 H new ATOM 0 HH TYR A 47 4.026 -5.294 4.981 1.00 0.00 H new ATOM 755 N CYS A 48 6.070 -7.519 -2.956 1.00 0.00 N ATOM 756 CA CYS A 48 6.385 -8.862 -3.432 1.00 0.00 C ATOM 757 C CYS A 48 7.869 -8.988 -3.759 1.00 0.00 C ATOM 758 O CYS A 48 8.511 -9.976 -3.403 1.00 0.00 O ATOM 759 CB CYS A 48 5.547 -9.197 -4.667 1.00 0.00 C ATOM 760 SG CYS A 48 5.964 -10.781 -5.433 1.00 0.00 S ATOM 0 H CYS A 48 5.283 -7.077 -3.431 1.00 0.00 H new ATOM 0 HA CYS A 48 6.146 -9.569 -2.637 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.494 -9.207 -4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.673 -8.404 -5.405 1.00 0.00 H new ATOM 0 HG CYS A 48 4.876 -11.368 -5.835 1.00 0.00 H new ATOM 766 N GLU A 49 8.407 -7.982 -4.441 1.00 0.00 N ATOM 767 CA GLU A 49 9.816 -7.982 -4.819 1.00 0.00 C ATOM 768 C GLU A 49 10.702 -8.281 -3.613 1.00 0.00 C ATOM 769 O GLU A 49 11.725 -8.955 -3.733 1.00 0.00 O ATOM 770 CB GLU A 49 10.204 -6.634 -5.429 1.00 0.00 C ATOM 771 CG GLU A 49 11.533 -6.659 -6.164 1.00 0.00 C ATOM 772 CD GLU A 49 11.470 -7.447 -7.458 1.00 0.00 C ATOM 773 OE1 GLU A 49 11.093 -6.860 -8.493 1.00 0.00 O ATOM 774 OE2 GLU A 49 11.799 -8.652 -7.434 1.00 0.00 O ATOM 0 H GLU A 49 7.889 -7.157 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 49 9.966 -8.765 -5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.422 -6.319 -6.120 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.250 -5.886 -4.637 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.843 -5.637 -6.380 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.294 -7.093 -5.516 1.00 0.00 H new ATOM 781 N ARG A 50 10.302 -7.774 -2.452 1.00 0.00 N ATOM 782 CA ARG A 50 11.060 -7.984 -1.224 1.00 0.00 C ATOM 783 C ARG A 50 10.618 -9.267 -0.525 1.00 0.00 C ATOM 784 O ARG A 50 11.409 -10.194 -0.354 1.00 0.00 O ATOM 785 CB ARG A 50 10.887 -6.791 -0.282 1.00 0.00 C ATOM 786 CG ARG A 50 12.056 -6.591 0.669 1.00 0.00 C ATOM 787 CD ARG A 50 11.842 -7.332 1.979 1.00 0.00 C ATOM 788 NE ARG A 50 12.551 -6.700 3.088 1.00 0.00 N ATOM 789 CZ ARG A 50 12.820 -7.315 4.234 1.00 0.00 C ATOM 790 NH1 ARG A 50 12.441 -8.571 4.422 1.00 0.00 N ATOM 791 NH2 ARG A 50 13.470 -6.672 5.196 1.00 0.00 N ATOM 0 H ARG A 50 9.457 -7.215 -2.335 1.00 0.00 H new ATOM 0 HA ARG A 50 12.113 -8.079 -1.488 1.00 0.00 H new ATOM 0 HB2 ARG A 50 10.754 -5.887 -0.876 1.00 0.00 H new ATOM 0 HB3 ARG A 50 9.975 -6.928 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 50 12.974 -6.942 0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 50 12.186 -5.527 0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 50 10.776 -7.369 2.204 1.00 0.00 H new ATOM 0 HD3 ARG A 50 12.181 -8.362 1.872 1.00 0.00 H new ATOM 0 HE ARG A 50 12.856 -5.733 2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 50 11.941 -9.069 3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 50 12.649 -9.040 5.303 1.00 0.00 H new ATOM 0 HH21 ARG A 50 13.763 -5.705 5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 50 13.676 -7.145 6.076 1.00 0.00 H new ATOM 805 N GLN A 51 9.352 -9.310 -0.125 1.00 0.00 N ATOM 806 CA GLN A 51 8.806 -10.478 0.556 1.00 0.00 C ATOM 807 C GLN A 51 7.599 -11.031 -0.194 1.00 0.00 C ATOM 808 O GLN A 51 6.464 -10.917 0.267 1.00 0.00 O ATOM 809 CB GLN A 51 8.411 -10.121 1.990 1.00 0.00 C ATOM 810 CG GLN A 51 9.581 -10.116 2.960 1.00 0.00 C ATOM 811 CD GLN A 51 9.228 -9.496 4.298 1.00 0.00 C ATOM 812 OE1 GLN A 51 9.300 -10.151 5.338 1.00 0.00 O ATOM 813 NE2 GLN A 51 8.843 -8.225 4.278 1.00 0.00 N ATOM 0 H GLN A 51 8.685 -8.550 -0.260 1.00 0.00 H new ATOM 0 HA GLN A 51 9.579 -11.247 0.581 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.942 -9.137 1.995 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.663 -10.832 2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.922 -11.139 3.117 1.00 0.00 H new ATOM 0 HG3 GLN A 51 10.412 -9.567 2.518 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.798 -7.720 3.393 1.00 0.00 H new ATOM 0 HE22 GLN A 51 8.593 -7.754 5.148 1.00 0.00 H new ATOM 822 N GLY A 52 7.852 -11.630 -1.354 1.00 0.00 N ATOM 823 CA GLY A 52 6.775 -12.190 -2.149 1.00 0.00 C ATOM 824 C GLY A 52 6.266 -13.505 -1.591 1.00 0.00 C ATOM 825 O GLY A 52 6.459 -14.561 -2.195 1.00 0.00 O ATOM 0 H GLY A 52 8.783 -11.737 -1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.953 -11.476 -2.196 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.123 -12.343 -3.171 1.00 0.00 H new ATOM 829 N LEU A 53 5.614 -13.441 -0.435 1.00 0.00 N ATOM 830 CA LEU A 53 5.076 -14.636 0.206 1.00 0.00 C ATOM 831 C LEU A 53 3.552 -14.647 0.146 1.00 0.00 C ATOM 832 O LEU A 53 2.924 -15.700 0.253 1.00 0.00 O ATOM 833 CB LEU A 53 5.542 -14.712 1.661 1.00 0.00 C ATOM 834 CG LEU A 53 5.646 -13.378 2.402 1.00 0.00 C ATOM 835 CD1 LEU A 53 4.264 -12.787 2.633 1.00 0.00 C ATOM 836 CD2 LEU A 53 6.378 -13.558 3.724 1.00 0.00 C ATOM 0 H LEU A 53 5.445 -12.575 0.077 1.00 0.00 H new ATOM 0 HA LEU A 53 5.448 -15.507 -0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.855 -15.357 2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.519 -15.195 1.684 1.00 0.00 H new ATOM 0 HG LEU A 53 6.217 -12.685 1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 53 4.358 -11.838 3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.774 -12.621 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.668 -13.477 3.230 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.443 -12.599 4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.834 -14.267 4.347 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.382 -13.937 3.535 1.00 0.00 H new ATOM 848 N SER A 54 2.963 -13.468 -0.027 1.00 0.00 N ATOM 849 CA SER A 54 1.513 -13.341 -0.099 1.00 0.00 C ATOM 850 C SER A 54 1.115 -12.030 -0.771 1.00 0.00 C ATOM 851 O SER A 54 0.767 -11.058 -0.101 1.00 0.00 O ATOM 852 CB SER A 54 0.902 -13.416 1.302 1.00 0.00 C ATOM 853 OG SER A 54 0.844 -14.754 1.762 1.00 0.00 O ATOM 0 H SER A 54 3.468 -12.587 -0.120 1.00 0.00 H new ATOM 0 HA SER A 54 1.130 -14.167 -0.698 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.494 -12.816 1.993 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.101 -12.989 1.288 1.00 0.00 H new ATOM 0 HG SER A 54 1.519 -15.290 1.296 1.00 0.00 H new ATOM 859 N MET A 55 1.168 -12.013 -2.099 1.00 0.00 N ATOM 860 CA MET A 55 0.812 -10.823 -2.862 1.00 0.00 C ATOM 861 C MET A 55 -0.684 -10.794 -3.157 1.00 0.00 C ATOM 862 O MET A 55 -1.269 -9.726 -3.343 1.00 0.00 O ATOM 863 CB MET A 55 1.603 -10.774 -4.170 1.00 0.00 C ATOM 864 CG MET A 55 1.147 -11.800 -5.195 1.00 0.00 C ATOM 865 SD MET A 55 2.355 -12.054 -6.509 1.00 0.00 S ATOM 866 CE MET A 55 2.310 -13.837 -6.670 1.00 0.00 C ATOM 0 H MET A 55 1.454 -12.810 -2.668 1.00 0.00 H new ATOM 0 HA MET A 55 1.063 -9.948 -2.262 1.00 0.00 H new ATOM 0 HB2 MET A 55 1.514 -9.777 -4.602 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.659 -10.934 -3.953 1.00 0.00 H new ATOM 0 HG2 MET A 55 0.957 -12.749 -4.694 1.00 0.00 H new ATOM 0 HG3 MET A 55 0.203 -11.476 -5.633 1.00 0.00 H new ATOM 0 HE1 MET A 55 3.007 -14.150 -7.448 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.594 -14.295 -5.723 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.302 -14.153 -6.938 1.00 0.00 H new ATOM 876 N ARG A 56 -1.298 -11.972 -3.200 1.00 0.00 N ATOM 877 CA ARG A 56 -2.725 -12.081 -3.474 1.00 0.00 C ATOM 878 C ARG A 56 -3.525 -12.143 -2.177 1.00 0.00 C ATOM 879 O ARG A 56 -4.746 -12.301 -2.196 1.00 0.00 O ATOM 880 CB ARG A 56 -3.010 -13.322 -4.322 1.00 0.00 C ATOM 881 CG ARG A 56 -4.340 -13.266 -5.056 1.00 0.00 C ATOM 882 CD ARG A 56 -4.923 -14.656 -5.259 1.00 0.00 C ATOM 883 NE ARG A 56 -4.285 -15.360 -6.368 1.00 0.00 N ATOM 884 CZ ARG A 56 -4.739 -16.503 -6.871 1.00 0.00 C ATOM 885 NH1 ARG A 56 -5.828 -17.066 -6.367 1.00 0.00 N ATOM 886 NH2 ARG A 56 -4.103 -17.083 -7.881 1.00 0.00 N ATOM 0 H ARG A 56 -0.829 -12.865 -3.048 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.032 -11.193 -4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.208 -13.446 -5.050 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -2.996 -14.202 -3.679 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.043 -12.654 -4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.203 -12.783 -6.023 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.803 -15.236 -4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.993 -14.576 -5.448 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.445 -14.952 -6.779 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.319 -16.622 -5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.175 -17.943 -6.755 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.265 -16.651 -8.271 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.452 -17.960 -8.267 1.00 0.00 H new ATOM 900 N GLN A 57 -2.829 -12.019 -1.051 1.00 0.00 N ATOM 901 CA GLN A 57 -3.475 -12.063 0.255 1.00 0.00 C ATOM 902 C GLN A 57 -3.289 -10.744 0.999 1.00 0.00 C ATOM 903 O GLN A 57 -3.254 -10.714 2.229 1.00 0.00 O ATOM 904 CB GLN A 57 -2.911 -13.215 1.088 1.00 0.00 C ATOM 905 CG GLN A 57 -3.924 -13.831 2.040 1.00 0.00 C ATOM 906 CD GLN A 57 -3.757 -15.331 2.180 1.00 0.00 C ATOM 907 OE1 GLN A 57 -2.807 -15.913 1.655 1.00 0.00 O ATOM 908 NE2 GLN A 57 -4.681 -15.966 2.890 1.00 0.00 N ATOM 0 H GLN A 57 -1.818 -11.887 -1.017 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.542 -12.225 0.099 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.538 -13.989 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.058 -12.853 1.663 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.825 -13.365 3.021 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.931 -13.613 1.684 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -5.451 -15.444 3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.621 -16.976 3.018 1.00 0.00 H new ATOM 917 N ILE A 58 -3.170 -9.657 0.244 1.00 0.00 N ATOM 918 CA ILE A 58 -2.989 -8.336 0.832 1.00 0.00 C ATOM 919 C ILE A 58 -4.281 -7.527 0.776 1.00 0.00 C ATOM 920 O ILE A 58 -4.932 -7.449 -0.266 1.00 0.00 O ATOM 921 CB ILE A 58 -1.873 -7.550 0.118 1.00 0.00 C ATOM 922 CG1 ILE A 58 -0.550 -8.313 0.199 1.00 0.00 C ATOM 923 CG2 ILE A 58 -1.729 -6.163 0.727 1.00 0.00 C ATOM 924 CD1 ILE A 58 -0.083 -8.565 1.616 1.00 0.00 C ATOM 0 H ILE A 58 -3.196 -9.665 -0.776 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.705 -8.490 1.873 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.142 -7.438 -0.932 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.659 -9.268 -0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.217 -7.751 -0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.937 -5.620 0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.668 -5.620 0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.479 -6.254 1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.861 -9.110 1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.059 -7.613 2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.831 -9.154 2.146 1.00 0.00 H new ATOM 936 N ARG A 59 -4.645 -6.924 1.903 1.00 0.00 N ATOM 937 CA ARG A 59 -5.858 -6.121 1.983 1.00 0.00 C ATOM 938 C ARG A 59 -5.692 -4.983 2.987 1.00 0.00 C ATOM 939 O ARG A 59 -5.791 -5.190 4.196 1.00 0.00 O ATOM 940 CB ARG A 59 -7.049 -6.995 2.379 1.00 0.00 C ATOM 941 CG ARG A 59 -7.404 -8.048 1.341 1.00 0.00 C ATOM 942 CD ARG A 59 -6.674 -9.356 1.603 1.00 0.00 C ATOM 943 NE ARG A 59 -7.436 -10.241 2.481 1.00 0.00 N ATOM 944 CZ ARG A 59 -8.457 -10.983 2.069 1.00 0.00 C ATOM 945 NH1 ARG A 59 -8.838 -10.947 0.799 1.00 0.00 N ATOM 946 NH2 ARG A 59 -9.101 -11.764 2.927 1.00 0.00 N ATOM 0 H ARG A 59 -4.116 -6.977 2.774 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.044 -5.690 0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.827 -7.490 3.325 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.916 -6.357 2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.480 -8.222 1.351 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.150 -7.681 0.347 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -6.483 -9.861 0.656 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.704 -9.146 2.053 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.169 -10.292 3.464 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.346 -10.348 0.136 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.623 -11.518 0.486 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -8.812 -11.795 3.905 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.885 -12.333 2.609 1.00 0.00 H new ATOM 960 N PHE A 60 -5.439 -3.783 2.476 1.00 0.00 N ATOM 961 CA PHE A 60 -5.258 -2.613 3.327 1.00 0.00 C ATOM 962 C PHE A 60 -6.579 -2.194 3.964 1.00 0.00 C ATOM 963 O PHE A 60 -7.562 -1.938 3.268 1.00 0.00 O ATOM 964 CB PHE A 60 -4.678 -1.451 2.517 1.00 0.00 C ATOM 965 CG PHE A 60 -3.177 -1.450 2.462 1.00 0.00 C ATOM 966 CD1 PHE A 60 -2.434 -0.838 3.459 1.00 0.00 C ATOM 967 CD2 PHE A 60 -2.508 -2.061 1.413 1.00 0.00 C ATOM 968 CE1 PHE A 60 -1.053 -0.835 3.410 1.00 0.00 C ATOM 969 CE2 PHE A 60 -1.127 -2.061 1.359 1.00 0.00 C ATOM 970 CZ PHE A 60 -0.399 -1.448 2.359 1.00 0.00 C ATOM 0 H PHE A 60 -5.355 -3.595 1.477 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.560 -2.877 4.121 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -5.071 -1.495 1.501 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.019 -0.511 2.950 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -2.940 -0.358 4.284 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.073 -2.543 0.629 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.485 -0.354 4.193 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.618 -2.540 0.536 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.680 -1.448 2.320 1.00 0.00 H new ATOM 980 N ARG A 61 -6.595 -2.125 5.291 1.00 0.00 N ATOM 981 CA ARG A 61 -7.795 -1.739 6.023 1.00 0.00 C ATOM 982 C ARG A 61 -7.446 -0.841 7.206 1.00 0.00 C ATOM 983 O ARG A 61 -6.439 -1.053 7.883 1.00 0.00 O ATOM 984 CB ARG A 61 -8.540 -2.982 6.514 1.00 0.00 C ATOM 985 CG ARG A 61 -8.769 -4.023 5.431 1.00 0.00 C ATOM 986 CD ARG A 61 -9.795 -3.552 4.413 1.00 0.00 C ATOM 987 NE ARG A 61 -9.567 -4.137 3.095 1.00 0.00 N ATOM 988 CZ ARG A 61 -10.501 -4.216 2.154 1.00 0.00 C ATOM 989 NH1 ARG A 61 -11.720 -3.749 2.384 1.00 0.00 N ATOM 990 NH2 ARG A 61 -10.216 -4.762 0.978 1.00 0.00 N ATOM 0 H ARG A 61 -5.789 -2.332 5.882 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.440 -1.181 5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.975 -3.436 7.328 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.503 -2.679 6.924 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.827 -4.238 4.927 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.107 -4.954 5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.795 -3.815 4.758 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.759 -2.465 4.338 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.639 -4.505 2.885 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.943 -3.327 3.286 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.435 -3.811 1.659 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.279 -5.121 0.796 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -10.934 -4.822 0.256 1.00 0.00 H new ATOM 1004 N PHE A 62 -8.283 0.161 7.449 1.00 0.00 N ATOM 1005 CA PHE A 62 -8.062 1.092 8.549 1.00 0.00 C ATOM 1006 C PHE A 62 -9.173 0.979 9.589 1.00 0.00 C ATOM 1007 O PHE A 62 -10.260 0.479 9.300 1.00 0.00 O ATOM 1008 CB PHE A 62 -7.985 2.527 8.024 1.00 0.00 C ATOM 1009 CG PHE A 62 -7.511 3.517 9.049 1.00 0.00 C ATOM 1010 CD1 PHE A 62 -6.257 3.392 9.625 1.00 0.00 C ATOM 1011 CD2 PHE A 62 -8.320 4.573 9.438 1.00 0.00 C ATOM 1012 CE1 PHE A 62 -5.820 4.300 10.570 1.00 0.00 C ATOM 1013 CE2 PHE A 62 -7.888 5.485 10.382 1.00 0.00 C ATOM 1014 CZ PHE A 62 -6.635 5.349 10.948 1.00 0.00 C ATOM 0 H PHE A 62 -9.121 0.349 6.899 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.115 0.835 9.024 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.314 2.556 7.166 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.970 2.828 7.668 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.614 2.575 9.332 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.300 4.684 8.998 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.841 4.190 11.013 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.529 6.303 10.677 1.00 0.00 H new ATOM 0 HZ PHE A 62 -6.294 6.061 11.684 1.00 0.00 H new ATOM 1024 N ASP A 63 -8.891 1.446 10.800 1.00 0.00 N ATOM 1025 CA ASP A 63 -9.866 1.398 11.884 1.00 0.00 C ATOM 1026 C ASP A 63 -10.925 2.482 11.711 1.00 0.00 C ATOM 1027 O ASP A 63 -11.094 3.343 12.574 1.00 0.00 O ATOM 1028 CB ASP A 63 -9.167 1.563 13.235 1.00 0.00 C ATOM 1029 CG ASP A 63 -8.617 0.253 13.765 1.00 0.00 C ATOM 1030 OD1 ASP A 63 -8.494 -0.704 12.972 1.00 0.00 O ATOM 1031 OD2 ASP A 63 -8.308 0.185 14.973 1.00 0.00 O ATOM 0 H ASP A 63 -7.996 1.862 11.056 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.358 0.426 11.854 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.353 2.281 13.135 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -9.871 1.977 13.957 1.00 0.00 H new ATOM 1036 N GLY A 64 -11.635 2.434 10.588 1.00 0.00 N ATOM 1037 CA GLY A 64 -12.668 3.418 10.321 1.00 0.00 C ATOM 1038 C GLY A 64 -13.464 3.099 9.071 1.00 0.00 C ATOM 1039 O GLY A 64 -14.659 3.383 8.999 1.00 0.00 O ATOM 0 H GLY A 64 -11.513 1.732 9.859 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.344 3.471 11.175 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.210 4.401 10.215 1.00 0.00 H new ATOM 1043 N GLN A 65 -12.799 2.508 8.083 1.00 0.00 N ATOM 1044 CA GLN A 65 -13.453 2.152 6.829 1.00 0.00 C ATOM 1045 C GLN A 65 -12.507 1.367 5.926 1.00 0.00 C ATOM 1046 O GLN A 65 -11.285 1.431 6.060 1.00 0.00 O ATOM 1047 CB GLN A 65 -13.938 3.411 6.108 1.00 0.00 C ATOM 1048 CG GLN A 65 -12.957 4.570 6.179 1.00 0.00 C ATOM 1049 CD GLN A 65 -13.281 5.670 5.188 1.00 0.00 C ATOM 1050 OE1 GLN A 65 -13.556 5.406 4.018 1.00 0.00 O ATOM 1051 NE2 GLN A 65 -13.249 6.914 5.654 1.00 0.00 N ATOM 0 H GLN A 65 -11.809 2.266 8.127 1.00 0.00 H new ATOM 0 HA GLN A 65 -14.311 1.521 7.061 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -14.128 3.170 5.062 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -14.888 3.724 6.540 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.960 4.983 7.188 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -11.949 4.200 5.989 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -13.016 7.086 6.632 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.458 7.696 5.034 1.00 0.00 H new ATOM 1060 N PRO A 66 -13.084 0.607 4.983 1.00 0.00 N ATOM 1061 CA PRO A 66 -12.310 -0.206 4.040 1.00 0.00 C ATOM 1062 C PRO A 66 -11.552 0.646 3.028 1.00 0.00 C ATOM 1063 O PRO A 66 -11.844 1.830 2.856 1.00 0.00 O ATOM 1064 CB PRO A 66 -13.379 -1.046 3.336 1.00 0.00 C ATOM 1065 CG PRO A 66 -14.629 -0.244 3.452 1.00 0.00 C ATOM 1066 CD PRO A 66 -14.535 0.482 4.766 1.00 0.00 C ATOM 0 HA PRO A 66 -11.546 -0.798 4.544 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.119 -1.224 2.293 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.490 -2.022 3.808 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -14.720 0.459 2.624 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.509 -0.887 3.423 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.020 1.457 4.722 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.015 -0.077 5.569 1.00 0.00 H new ATOM 1074 N ILE A 67 -10.578 0.037 2.360 1.00 0.00 N ATOM 1075 CA ILE A 67 -9.779 0.740 1.364 1.00 0.00 C ATOM 1076 C ILE A 67 -9.676 -0.066 0.074 1.00 0.00 C ATOM 1077 O ILE A 67 -9.591 -1.293 0.101 1.00 0.00 O ATOM 1078 CB ILE A 67 -8.360 1.035 1.887 1.00 0.00 C ATOM 1079 CG1 ILE A 67 -8.427 1.674 3.275 1.00 0.00 C ATOM 1080 CG2 ILE A 67 -7.616 1.940 0.916 1.00 0.00 C ATOM 1081 CD1 ILE A 67 -7.068 1.927 3.890 1.00 0.00 C ATOM 0 H ILE A 67 -10.323 -0.942 2.491 1.00 0.00 H new ATOM 0 HA ILE A 67 -10.286 1.683 1.161 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.815 0.094 1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -8.967 2.618 3.206 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.002 1.026 3.937 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -6.615 2.140 1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -7.542 1.450 -0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.157 2.880 0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -7.192 2.381 4.873 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.533 0.983 3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.498 2.600 3.249 1.00 0.00 H new ATOM 1093 N ASN A 68 -9.682 0.634 -1.056 1.00 0.00 N ATOM 1094 CA ASN A 68 -9.588 -0.016 -2.358 1.00 0.00 C ATOM 1095 C ASN A 68 -8.239 0.269 -3.013 1.00 0.00 C ATOM 1096 O ASN A 68 -7.380 0.925 -2.425 1.00 0.00 O ATOM 1097 CB ASN A 68 -10.721 0.457 -3.271 1.00 0.00 C ATOM 1098 CG ASN A 68 -12.050 0.543 -2.546 1.00 0.00 C ATOM 1099 OD1 ASN A 68 -12.571 1.633 -2.309 1.00 0.00 O ATOM 1100 ND2 ASN A 68 -12.605 -0.609 -2.189 1.00 0.00 N ATOM 0 H ASN A 68 -9.751 1.651 -1.096 1.00 0.00 H new ATOM 0 HA ASN A 68 -9.678 -1.092 -2.206 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.470 1.435 -3.680 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.814 -0.227 -4.114 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.499 -0.614 -1.698 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.138 -1.489 -2.406 1.00 0.00 H new ATOM 1107 N GLU A 69 -8.063 -0.227 -4.234 1.00 0.00 N ATOM 1108 CA GLU A 69 -6.819 -0.025 -4.967 1.00 0.00 C ATOM 1109 C GLU A 69 -6.846 1.297 -5.730 1.00 0.00 C ATOM 1110 O GLU A 69 -5.801 1.855 -6.066 1.00 0.00 O ATOM 1111 CB GLU A 69 -6.581 -1.182 -5.939 1.00 0.00 C ATOM 1112 CG GLU A 69 -7.634 -1.288 -7.030 1.00 0.00 C ATOM 1113 CD GLU A 69 -7.877 -2.719 -7.469 1.00 0.00 C ATOM 1114 OE1 GLU A 69 -6.915 -3.372 -7.924 1.00 0.00 O ATOM 1115 OE2 GLU A 69 -9.030 -3.185 -7.358 1.00 0.00 O ATOM 0 H GLU A 69 -8.765 -0.771 -4.736 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.003 0.008 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.602 -1.061 -6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.555 -2.117 -5.379 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.569 -0.858 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.321 -0.696 -7.890 1.00 0.00 H new ATOM 1122 N THR A 70 -8.050 1.793 -6.001 1.00 0.00 N ATOM 1123 CA THR A 70 -8.214 3.047 -6.725 1.00 0.00 C ATOM 1124 C THR A 70 -8.466 4.206 -5.767 1.00 0.00 C ATOM 1125 O THR A 70 -9.212 5.133 -6.083 1.00 0.00 O ATOM 1126 CB THR A 70 -9.377 2.966 -7.732 1.00 0.00 C ATOM 1127 OG1 THR A 70 -9.419 4.155 -8.528 1.00 0.00 O ATOM 1128 CG2 THR A 70 -10.705 2.783 -7.012 1.00 0.00 C ATOM 0 H THR A 70 -8.925 1.345 -5.730 1.00 0.00 H new ATOM 0 HA THR A 70 -7.285 3.223 -7.267 1.00 0.00 H new ATOM 0 HB THR A 70 -9.211 2.103 -8.377 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.346 4.941 -7.947 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.511 2.729 -7.744 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.680 1.861 -6.431 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.877 3.628 -6.345 1.00 0.00 H new ATOM 1136 N ASP A 71 -7.841 4.147 -4.597 1.00 0.00 N ATOM 1137 CA ASP A 71 -7.996 5.193 -3.593 1.00 0.00 C ATOM 1138 C ASP A 71 -6.668 5.898 -3.333 1.00 0.00 C ATOM 1139 O ASP A 71 -5.608 5.419 -3.738 1.00 0.00 O ATOM 1140 CB ASP A 71 -8.538 4.603 -2.290 1.00 0.00 C ATOM 1141 CG ASP A 71 -10.050 4.491 -2.290 1.00 0.00 C ATOM 1142 OD1 ASP A 71 -10.657 4.659 -3.368 1.00 0.00 O ATOM 1143 OD2 ASP A 71 -10.626 4.235 -1.212 1.00 0.00 O ATOM 0 H ASP A 71 -7.222 3.385 -4.320 1.00 0.00 H new ATOM 0 HA ASP A 71 -8.707 5.926 -3.974 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -8.103 3.616 -2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -8.223 5.227 -1.453 1.00 0.00 H new ATOM 1148 N THR A 72 -6.733 7.040 -2.656 1.00 0.00 N ATOM 1149 CA THR A 72 -5.538 7.813 -2.344 1.00 0.00 C ATOM 1150 C THR A 72 -5.629 8.430 -0.953 1.00 0.00 C ATOM 1151 O THR A 72 -6.712 8.589 -0.388 1.00 0.00 O ATOM 1152 CB THR A 72 -5.308 8.933 -3.375 1.00 0.00 C ATOM 1153 OG1 THR A 72 -6.565 9.420 -3.858 1.00 0.00 O ATOM 1154 CG2 THR A 72 -4.471 8.430 -4.542 1.00 0.00 C ATOM 0 H THR A 72 -7.602 7.450 -2.313 1.00 0.00 H new ATOM 0 HA THR A 72 -4.697 7.120 -2.377 1.00 0.00 H new ATOM 0 HB THR A 72 -4.769 9.744 -2.884 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.410 10.133 -4.512 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.321 9.238 -5.258 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.504 8.087 -4.175 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.987 7.604 -5.031 1.00 0.00 H new ATOM 1162 N PRO A 73 -4.467 8.787 -0.385 1.00 0.00 N ATOM 1163 CA PRO A 73 -4.391 9.393 0.947 1.00 0.00 C ATOM 1164 C PRO A 73 -4.951 10.811 0.971 1.00 0.00 C ATOM 1165 O PRO A 73 -5.186 11.378 2.038 1.00 0.00 O ATOM 1166 CB PRO A 73 -2.889 9.407 1.245 1.00 0.00 C ATOM 1167 CG PRO A 73 -2.237 9.418 -0.095 1.00 0.00 C ATOM 1168 CD PRO A 73 -3.139 8.626 -1.001 1.00 0.00 C ATOM 0 HA PRO A 73 -4.980 8.842 1.680 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.609 10.284 1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.592 8.532 1.823 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.114 10.437 -0.461 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.243 8.974 -0.049 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -3.120 9.009 -2.021 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.842 7.578 -1.048 1.00 0.00 H new ATOM 1176 N ALA A 74 -5.163 11.379 -0.211 1.00 0.00 N ATOM 1177 CA ALA A 74 -5.698 12.730 -0.325 1.00 0.00 C ATOM 1178 C ALA A 74 -7.144 12.790 0.155 1.00 0.00 C ATOM 1179 O ALA A 74 -7.511 13.665 0.939 1.00 0.00 O ATOM 1180 CB ALA A 74 -5.597 13.219 -1.762 1.00 0.00 C ATOM 0 H ALA A 74 -4.972 10.924 -1.104 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.103 13.384 0.312 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.000 14.229 -1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.552 13.223 -2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.166 12.555 -2.413 1.00 0.00 H new ATOM 1186 N GLN A 75 -7.960 11.855 -0.321 1.00 0.00 N ATOM 1187 CA GLN A 75 -9.367 11.804 0.059 1.00 0.00 C ATOM 1188 C GLN A 75 -9.619 10.680 1.060 1.00 0.00 C ATOM 1189 O GLN A 75 -10.748 10.209 1.208 1.00 0.00 O ATOM 1190 CB GLN A 75 -10.245 11.608 -1.178 1.00 0.00 C ATOM 1191 CG GLN A 75 -11.604 12.281 -1.072 1.00 0.00 C ATOM 1192 CD GLN A 75 -12.678 11.349 -0.547 1.00 0.00 C ATOM 1193 OE1 GLN A 75 -12.953 10.305 -1.139 1.00 0.00 O ATOM 1194 NE2 GLN A 75 -13.291 11.722 0.570 1.00 0.00 N ATOM 0 H GLN A 75 -7.671 11.123 -0.970 1.00 0.00 H new ATOM 0 HA GLN A 75 -9.625 12.752 0.531 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.722 12.000 -2.050 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -10.389 10.541 -1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -11.526 13.146 -0.414 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.899 12.652 -2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.031 12.596 1.027 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.022 11.135 0.971 1.00 0.00 H new ATOM 1203 N LEU A 76 -8.563 10.255 1.744 1.00 0.00 N ATOM 1204 CA LEU A 76 -8.669 9.186 2.731 1.00 0.00 C ATOM 1205 C LEU A 76 -8.297 9.690 4.121 1.00 0.00 C ATOM 1206 O LEU A 76 -8.743 9.143 5.129 1.00 0.00 O ATOM 1207 CB LEU A 76 -7.767 8.014 2.342 1.00 0.00 C ATOM 1208 CG LEU A 76 -7.898 6.754 3.197 1.00 0.00 C ATOM 1209 CD1 LEU A 76 -9.355 6.334 3.310 1.00 0.00 C ATOM 1210 CD2 LEU A 76 -7.060 5.625 2.615 1.00 0.00 C ATOM 0 H LEU A 76 -7.623 10.634 1.633 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.705 8.847 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.976 7.749 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.731 8.350 2.382 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.527 6.977 4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.428 5.435 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.930 7.136 3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.753 6.129 2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -7.165 4.736 3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.401 5.403 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -6.013 5.926 2.587 1.00 0.00 H new ATOM 1222 N GLU A 77 -7.479 10.737 4.167 1.00 0.00 N ATOM 1223 CA GLU A 77 -7.048 11.315 5.434 1.00 0.00 C ATOM 1224 C GLU A 77 -6.250 10.302 6.251 1.00 0.00 C ATOM 1225 O GLU A 77 -6.434 10.184 7.462 1.00 0.00 O ATOM 1226 CB GLU A 77 -8.258 11.795 6.238 1.00 0.00 C ATOM 1227 CG GLU A 77 -9.269 12.571 5.411 1.00 0.00 C ATOM 1228 CD GLU A 77 -10.205 13.405 6.265 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -9.767 14.463 6.763 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -11.373 12.999 6.436 1.00 0.00 O ATOM 0 H GLU A 77 -7.102 11.202 3.341 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.404 12.167 5.215 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.752 10.932 6.685 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.912 12.424 7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.740 13.223 4.716 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.854 11.874 4.812 1.00 0.00 H new ATOM 1237 N MET A 78 -5.366 9.574 5.578 1.00 0.00 N ATOM 1238 CA MET A 78 -4.539 8.571 6.241 1.00 0.00 C ATOM 1239 C MET A 78 -3.072 8.987 6.237 1.00 0.00 C ATOM 1240 O MET A 78 -2.244 8.368 5.571 1.00 0.00 O ATOM 1241 CB MET A 78 -4.698 7.213 5.554 1.00 0.00 C ATOM 1242 CG MET A 78 -4.453 7.258 4.055 1.00 0.00 C ATOM 1243 SD MET A 78 -3.728 5.733 3.423 1.00 0.00 S ATOM 1244 CE MET A 78 -3.771 6.043 1.660 1.00 0.00 C ATOM 0 H MET A 78 -5.203 9.659 4.575 1.00 0.00 H new ATOM 0 HA MET A 78 -4.872 8.488 7.276 1.00 0.00 H new ATOM 0 HB2 MET A 78 -4.005 6.503 6.006 1.00 0.00 H new ATOM 0 HB3 MET A 78 -5.705 6.837 5.738 1.00 0.00 H new ATOM 0 HG2 MET A 78 -5.396 7.447 3.542 1.00 0.00 H new ATOM 0 HG3 MET A 78 -3.792 8.093 3.824 1.00 0.00 H new ATOM 0 HE1 MET A 78 -3.985 5.114 1.132 1.00 0.00 H new ATOM 0 HE2 MET A 78 -4.549 6.774 1.438 1.00 0.00 H new ATOM 0 HE3 MET A 78 -2.805 6.431 1.335 1.00 0.00 H new ATOM 1254 N GLU A 79 -2.758 10.040 6.986 1.00 0.00 N ATOM 1255 CA GLU A 79 -1.390 10.538 7.067 1.00 0.00 C ATOM 1256 C GLU A 79 -0.964 10.725 8.520 1.00 0.00 C ATOM 1257 O GLU A 79 -1.634 10.255 9.440 1.00 0.00 O ATOM 1258 CB GLU A 79 -1.261 11.863 6.312 1.00 0.00 C ATOM 1259 CG GLU A 79 -2.233 12.000 5.152 1.00 0.00 C ATOM 1260 CD GLU A 79 -1.919 13.189 4.265 1.00 0.00 C ATOM 1261 OE1 GLU A 79 -1.178 14.088 4.717 1.00 0.00 O ATOM 1262 OE2 GLU A 79 -2.413 13.221 3.119 1.00 0.00 O ATOM 0 H GLU A 79 -3.432 10.564 7.545 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.734 9.800 6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.422 12.686 7.009 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.243 11.959 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.210 11.089 4.554 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.246 12.100 5.542 1.00 0.00 H new ATOM 1269 N ASP A 80 0.155 11.413 8.719 1.00 0.00 N ATOM 1270 CA ASP A 80 0.671 11.663 10.060 1.00 0.00 C ATOM 1271 C ASP A 80 1.051 10.356 10.748 1.00 0.00 C ATOM 1272 O ASP A 80 0.704 10.130 11.907 1.00 0.00 O ATOM 1273 CB ASP A 80 -0.367 12.412 10.898 1.00 0.00 C ATOM 1274 CG ASP A 80 0.270 13.350 11.904 1.00 0.00 C ATOM 1275 OD1 ASP A 80 1.361 13.883 11.611 1.00 0.00 O ATOM 1276 OD2 ASP A 80 -0.323 13.552 12.984 1.00 0.00 O ATOM 0 H ASP A 80 0.722 11.808 7.969 1.00 0.00 H new ATOM 0 HA ASP A 80 1.566 12.279 9.969 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.021 12.982 10.237 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.994 11.692 11.423 1.00 0.00 H new ATOM 1281 N GLU A 81 1.764 9.498 10.025 1.00 0.00 N ATOM 1282 CA GLU A 81 2.189 8.212 10.567 1.00 0.00 C ATOM 1283 C GLU A 81 0.985 7.325 10.870 1.00 0.00 C ATOM 1284 O GLU A 81 0.892 6.732 11.945 1.00 0.00 O ATOM 1285 CB GLU A 81 3.018 8.417 11.836 1.00 0.00 C ATOM 1286 CG GLU A 81 4.072 7.345 12.055 1.00 0.00 C ATOM 1287 CD GLU A 81 4.518 7.251 13.501 1.00 0.00 C ATOM 1288 OE1 GLU A 81 3.864 7.873 14.364 1.00 0.00 O ATOM 1289 OE2 GLU A 81 5.520 6.556 13.770 1.00 0.00 O ATOM 0 H GLU A 81 2.059 9.670 9.064 1.00 0.00 H new ATOM 0 HA GLU A 81 2.804 7.716 9.817 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.507 9.390 11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.350 8.439 12.697 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.675 6.381 11.738 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.936 7.557 11.425 1.00 0.00 H new ATOM 1296 N ASP A 82 0.065 7.240 9.916 1.00 0.00 N ATOM 1297 CA ASP A 82 -1.134 6.425 10.079 1.00 0.00 C ATOM 1298 C ASP A 82 -0.846 4.963 9.753 1.00 0.00 C ATOM 1299 O ASP A 82 -0.420 4.634 8.645 1.00 0.00 O ATOM 1300 CB ASP A 82 -2.258 6.948 9.184 1.00 0.00 C ATOM 1301 CG ASP A 82 -3.562 7.126 9.936 1.00 0.00 C ATOM 1302 OD1 ASP A 82 -3.805 6.359 10.891 1.00 0.00 O ATOM 1303 OD2 ASP A 82 -4.340 8.032 9.569 1.00 0.00 O ATOM 0 H ASP A 82 0.126 7.726 9.021 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.449 6.491 11.120 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.959 7.902 8.750 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.411 6.256 8.356 1.00 0.00 H new ATOM 1308 N THR A 83 -1.079 4.088 10.726 1.00 0.00 N ATOM 1309 CA THR A 83 -0.843 2.661 10.544 1.00 0.00 C ATOM 1310 C THR A 83 -2.091 1.960 10.020 1.00 0.00 C ATOM 1311 O THR A 83 -3.081 1.815 10.738 1.00 0.00 O ATOM 1312 CB THR A 83 -0.407 1.992 11.861 1.00 0.00 C ATOM 1313 OG1 THR A 83 0.561 2.809 12.529 1.00 0.00 O ATOM 1314 CG2 THR A 83 0.181 0.613 11.598 1.00 0.00 C ATOM 0 H THR A 83 -1.431 4.343 11.649 1.00 0.00 H new ATOM 0 HA THR A 83 -0.041 2.564 9.812 1.00 0.00 H new ATOM 0 HB THR A 83 -1.287 1.880 12.495 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.713 2.463 13.433 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.482 0.160 12.542 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.568 -0.016 11.116 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.050 0.706 10.947 1.00 0.00 H new ATOM 1322 N ILE A 84 -2.037 1.527 8.765 1.00 0.00 N ATOM 1323 CA ILE A 84 -3.162 0.838 8.145 1.00 0.00 C ATOM 1324 C ILE A 84 -3.078 -0.667 8.371 1.00 0.00 C ATOM 1325 O ILE A 84 -2.186 -1.335 7.847 1.00 0.00 O ATOM 1326 CB ILE A 84 -3.229 1.117 6.632 1.00 0.00 C ATOM 1327 CG1 ILE A 84 -3.045 2.611 6.358 1.00 0.00 C ATOM 1328 CG2 ILE A 84 -4.551 0.626 6.061 1.00 0.00 C ATOM 1329 CD1 ILE A 84 -4.062 3.483 7.059 1.00 0.00 C ATOM 0 H ILE A 84 -1.226 1.641 8.157 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.066 1.223 8.617 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.421 0.575 6.141 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.045 2.909 6.672 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.107 2.786 5.284 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.583 0.830 4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.644 -0.447 6.229 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.375 1.143 6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.871 4.529 6.820 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -5.064 3.212 6.727 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.985 3.338 8.136 1.00 0.00 H new ATOM 1341 N ASP A 85 -4.013 -1.196 9.152 1.00 0.00 N ATOM 1342 CA ASP A 85 -4.047 -2.624 9.445 1.00 0.00 C ATOM 1343 C ASP A 85 -4.179 -3.439 8.162 1.00 0.00 C ATOM 1344 O ASP A 85 -4.999 -3.128 7.298 1.00 0.00 O ATOM 1345 CB ASP A 85 -5.206 -2.946 10.390 1.00 0.00 C ATOM 1346 CG ASP A 85 -5.561 -4.419 10.390 1.00 0.00 C ATOM 1347 OD1 ASP A 85 -4.769 -5.221 10.928 1.00 0.00 O ATOM 1348 OD2 ASP A 85 -6.632 -4.771 9.853 1.00 0.00 O ATOM 0 H ASP A 85 -4.758 -0.657 9.594 1.00 0.00 H new ATOM 0 HA ASP A 85 -3.108 -2.892 9.930 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.942 -2.639 11.402 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.081 -2.365 10.099 1.00 0.00 H new ATOM 1353 N VAL A 86 -3.367 -4.484 8.045 1.00 0.00 N ATOM 1354 CA VAL A 86 -3.393 -5.344 6.867 1.00 0.00 C ATOM 1355 C VAL A 86 -3.272 -6.813 7.257 1.00 0.00 C ATOM 1356 O VAL A 86 -2.485 -7.171 8.134 1.00 0.00 O ATOM 1357 CB VAL A 86 -2.259 -4.990 5.888 1.00 0.00 C ATOM 1358 CG1 VAL A 86 -2.265 -5.937 4.698 1.00 0.00 C ATOM 1359 CG2 VAL A 86 -2.383 -3.544 5.430 1.00 0.00 C ATOM 0 H VAL A 86 -2.683 -4.756 8.751 1.00 0.00 H new ATOM 0 HA VAL A 86 -4.352 -5.178 6.376 1.00 0.00 H new ATOM 0 HB VAL A 86 -1.307 -5.103 6.406 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.456 -5.671 4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.124 -6.960 5.046 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.219 -5.860 4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.573 -3.311 4.738 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.341 -3.402 4.929 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.324 -2.882 6.294 1.00 0.00 H new ATOM 1369 N PHE A 87 -4.056 -7.661 6.600 1.00 0.00 N ATOM 1370 CA PHE A 87 -4.038 -9.092 6.877 1.00 0.00 C ATOM 1371 C PHE A 87 -3.294 -9.849 5.781 1.00 0.00 C ATOM 1372 O PHE A 87 -3.170 -9.368 4.655 1.00 0.00 O ATOM 1373 CB PHE A 87 -5.466 -9.627 7.003 1.00 0.00 C ATOM 1374 CG PHE A 87 -5.587 -10.799 7.935 1.00 0.00 C ATOM 1375 CD1 PHE A 87 -5.381 -12.090 7.477 1.00 0.00 C ATOM 1376 CD2 PHE A 87 -5.907 -10.609 9.270 1.00 0.00 C ATOM 1377 CE1 PHE A 87 -5.493 -13.170 8.332 1.00 0.00 C ATOM 1378 CE2 PHE A 87 -6.020 -11.685 10.130 1.00 0.00 C ATOM 1379 CZ PHE A 87 -5.811 -12.967 9.661 1.00 0.00 C ATOM 0 H PHE A 87 -4.712 -7.381 5.871 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.515 -9.247 7.821 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.116 -8.825 7.354 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -5.824 -9.919 6.016 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.130 -12.254 6.440 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.070 -9.609 9.643 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.332 -14.172 7.962 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.272 -11.523 11.168 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.896 -13.809 10.332 1.00 0.00 H new