USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 740 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 86 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 108 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 82 THR OG1 : rot 97:sc= 0.978 USER MOD Set 2.2: A 87 TYR OH : rot 30:sc= 1.04 USER MOD Set 3.1: A 67 HIS :FLIP no HE2:sc= 0.643 F(o=-3.2,f=1.6) USER MOD Set 3.2: A 76 TYR OH : rot -92:sc= 0.917 USER MOD Single : A 23 HIS : no HD1:sc= -0.301 X(o=-0.3,f=-0.53) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -6:sc= 1.04 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -153:sc= -0.115 (180deg=-0.695) USER MOD Single : A 37 SER OG : rot 180:sc= -0.648 USER MOD Single : A 39 GLN : amide:sc= -0.169 K(o=-0.17,f=-2.3!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.18! X(o=-1.2!,f=-1.4) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 51 TYR OH : rot 150:sc= -2.19 USER MOD Single : A 54 SER OG : rot -130:sc= -0.0445 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0168 X(o=-0.017,f=-0.044) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc=-0.00957 K(o=-0.0096,f=-1.3) USER MOD Single : A 63 THR OG1 : rot 33:sc= 0.374 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.746 K(o=-0.75,f=-6.7!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 75:sc= 0.695 USER MOD Single : A 88 THR OG1 : rot 150:sc= -0.443 USER MOD Single : A 94 MET CE :methyl -112:sc= -1.65 (180deg=-5.78!) USER MOD Single : A 95 THR OG1 : rot 140:sc= -1.38 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.297 F(o=-1.5,f=-0.3) USER MOD Single : A 101 GLN :FLIP amide:sc= -1.21 F(o=-1.8,f=-1.2) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0484 USER MOD Single : A 109 SER OG : rot -150:sc= -0.718! USER MOD ----------------------------------------------------------------- ATOM 202 N ASP A 16 16.836 -0.523 -12.961 1.00 0.00 N ATOM 203 CA ASP A 16 17.451 0.541 -12.186 1.00 0.00 C ATOM 204 C ASP A 16 16.659 0.748 -10.893 1.00 0.00 C ATOM 205 O ASP A 16 17.242 0.894 -9.820 1.00 0.00 O ATOM 206 CB ASP A 16 17.444 1.861 -12.960 1.00 0.00 C ATOM 207 CG ASP A 16 18.668 2.750 -12.734 1.00 0.00 C ATOM 208 OD1 ASP A 16 19.205 2.701 -11.606 1.00 0.00 O ATOM 209 OD2 ASP A 16 19.041 3.458 -13.694 1.00 0.00 O ATOM 0 HA ASP A 16 18.480 0.252 -11.974 1.00 0.00 H new ATOM 0 HB2 ASP A 16 17.366 1.640 -14.025 1.00 0.00 H new ATOM 0 HB3 ASP A 16 16.551 2.422 -12.684 1.00 0.00 H new ATOM 214 N VAL A 17 15.342 0.753 -11.038 1.00 0.00 N ATOM 215 CA VAL A 17 14.464 0.940 -9.895 1.00 0.00 C ATOM 216 C VAL A 17 14.496 -0.317 -9.023 1.00 0.00 C ATOM 217 O VAL A 17 14.985 -1.362 -9.450 1.00 0.00 O ATOM 218 CB VAL A 17 13.056 1.302 -10.370 1.00 0.00 C ATOM 219 CG1 VAL A 17 12.950 2.796 -10.682 1.00 0.00 C ATOM 220 CG2 VAL A 17 12.652 0.459 -11.582 1.00 0.00 C ATOM 0 H VAL A 17 14.862 0.631 -11.929 1.00 0.00 H new ATOM 0 HA VAL A 17 14.809 1.772 -9.280 1.00 0.00 H new ATOM 0 HB VAL A 17 12.362 1.078 -9.560 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.939 3.027 -11.018 1.00 0.00 H new ATOM 0 HG12 VAL A 17 13.175 3.372 -9.784 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.661 3.055 -11.467 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.647 0.736 -11.899 1.00 0.00 H new ATOM 0 HG22 VAL A 17 13.352 0.636 -12.398 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.669 -0.597 -11.313 1.00 0.00 H new ATOM 230 N PRO A 18 13.954 -0.171 -7.784 1.00 0.00 N ATOM 231 CA PRO A 18 13.916 -1.282 -6.848 1.00 0.00 C ATOM 232 C PRO A 18 12.835 -2.291 -7.239 1.00 0.00 C ATOM 233 O PRO A 18 12.117 -2.090 -8.218 1.00 0.00 O ATOM 234 CB PRO A 18 13.669 -0.644 -5.491 1.00 0.00 C ATOM 235 CG PRO A 18 13.117 0.744 -5.776 1.00 0.00 C ATOM 236 CD PRO A 18 13.366 1.051 -7.244 1.00 0.00 C ATOM 0 HA PRO A 18 14.841 -1.858 -6.841 1.00 0.00 H new ATOM 0 HB2 PRO A 18 12.962 -1.233 -4.906 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.591 -0.586 -4.913 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.051 0.784 -5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.603 1.486 -5.143 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.439 1.305 -7.758 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.039 1.900 -7.362 1.00 0.00 H new ATOM 244 N GLY A 19 12.752 -3.356 -6.455 1.00 0.00 N ATOM 245 CA GLY A 19 11.771 -4.397 -6.707 1.00 0.00 C ATOM 246 C GLY A 19 10.640 -4.345 -5.678 1.00 0.00 C ATOM 247 O GLY A 19 10.345 -3.286 -5.127 1.00 0.00 O ATOM 0 H GLY A 19 13.349 -3.520 -5.644 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.361 -4.280 -7.710 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.254 -5.373 -6.672 1.00 0.00 H new ATOM 251 N PRO A 20 10.021 -5.534 -5.444 1.00 0.00 N ATOM 252 CA PRO A 20 8.929 -5.634 -4.491 1.00 0.00 C ATOM 253 C PRO A 20 9.449 -5.582 -3.053 1.00 0.00 C ATOM 254 O PRO A 20 10.447 -6.223 -2.726 1.00 0.00 O ATOM 255 CB PRO A 20 8.235 -6.944 -4.824 1.00 0.00 C ATOM 256 CG PRO A 20 9.234 -7.750 -5.638 1.00 0.00 C ATOM 257 CD PRO A 20 10.344 -6.809 -6.077 1.00 0.00 C ATOM 0 HA PRO A 20 8.231 -4.799 -4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.950 -7.477 -3.917 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.321 -6.768 -5.391 1.00 0.00 H new ATOM 0 HG2 PRO A 20 9.640 -8.568 -5.043 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.748 -8.197 -6.505 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.321 -7.173 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.377 -6.715 -7.162 1.00 0.00 H new ATOM 265 N VAL A 21 8.750 -4.811 -2.232 1.00 0.00 N ATOM 266 CA VAL A 21 9.129 -4.667 -0.837 1.00 0.00 C ATOM 267 C VAL A 21 9.069 -6.034 -0.152 1.00 0.00 C ATOM 268 O VAL A 21 8.733 -7.034 -0.784 1.00 0.00 O ATOM 269 CB VAL A 21 8.243 -3.620 -0.159 1.00 0.00 C ATOM 270 CG1 VAL A 21 8.710 -2.203 -0.499 1.00 0.00 C ATOM 271 CG2 VAL A 21 6.773 -3.819 -0.537 1.00 0.00 C ATOM 0 H VAL A 21 7.924 -4.280 -2.507 1.00 0.00 H new ATOM 0 HA VAL A 21 10.155 -4.307 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 21 8.333 -3.752 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.063 -1.478 -0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 21 9.736 -2.066 -0.157 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.664 -2.054 -1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.164 -3.062 -0.042 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.659 -3.727 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.447 -4.810 -0.221 1.00 0.00 H new ATOM 281 N GLY A 22 9.401 -6.033 1.130 1.00 0.00 N ATOM 282 CA GLY A 22 9.389 -7.261 1.907 1.00 0.00 C ATOM 283 C GLY A 22 8.103 -8.053 1.662 1.00 0.00 C ATOM 284 O GLY A 22 8.026 -8.843 0.723 1.00 0.00 O ATOM 0 H GLY A 22 9.680 -5.201 1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.252 -7.872 1.642 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.479 -7.025 2.967 1.00 0.00 H new ATOM 288 N HIS A 23 7.125 -7.812 2.523 1.00 0.00 N ATOM 289 CA HIS A 23 5.846 -8.493 2.412 1.00 0.00 C ATOM 290 C HIS A 23 4.737 -7.593 2.960 1.00 0.00 C ATOM 291 O HIS A 23 4.796 -7.159 4.109 1.00 0.00 O ATOM 292 CB HIS A 23 5.896 -9.859 3.100 1.00 0.00 C ATOM 293 CG HIS A 23 5.548 -9.820 4.569 1.00 0.00 C ATOM 294 ND1 HIS A 23 4.255 -9.974 5.037 1.00 0.00 N ATOM 295 CD2 HIS A 23 6.337 -9.644 5.667 1.00 0.00 C ATOM 296 CE1 HIS A 23 4.277 -9.892 6.359 1.00 0.00 C ATOM 297 NE2 HIS A 23 5.568 -9.687 6.748 1.00 0.00 N ATOM 0 H HIS A 23 7.192 -7.155 3.300 1.00 0.00 H new ATOM 0 HA HIS A 23 5.623 -8.688 1.363 1.00 0.00 H new ATOM 0 HB2 HIS A 23 5.209 -10.536 2.592 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.897 -10.276 2.985 1.00 0.00 H new ATOM 0 HD2 HIS A 23 7.407 -9.495 5.659 1.00 0.00 H new ATOM 0 HE1 HIS A 23 3.422 -9.973 7.014 1.00 0.00 H new ATOM 0 HE2 HIS A 23 5.889 -9.584 7.711 1.00 0.00 H new ATOM 305 N LEU A 24 3.751 -7.341 2.112 1.00 0.00 N ATOM 306 CA LEU A 24 2.629 -6.501 2.497 1.00 0.00 C ATOM 307 C LEU A 24 1.996 -7.057 3.775 1.00 0.00 C ATOM 308 O LEU A 24 1.756 -8.258 3.881 1.00 0.00 O ATOM 309 CB LEU A 24 1.644 -6.356 1.335 1.00 0.00 C ATOM 310 CG LEU A 24 1.620 -4.992 0.643 1.00 0.00 C ATOM 311 CD1 LEU A 24 0.867 -3.962 1.486 1.00 0.00 C ATOM 312 CD2 LEU A 24 3.036 -4.526 0.299 1.00 0.00 C ATOM 0 H LEU A 24 3.705 -7.704 1.160 1.00 0.00 H new ATOM 0 HA LEU A 24 2.970 -5.491 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.878 -7.116 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.642 -6.571 1.705 1.00 0.00 H new ATOM 0 HG LEU A 24 1.078 -5.096 -0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.865 -3.001 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.160 -4.295 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.358 -3.854 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.990 -3.554 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.624 -4.443 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.504 -5.248 -0.370 1.00 0.00 H new ATOM 324 N SER A 25 1.743 -6.155 4.712 1.00 0.00 N ATOM 325 CA SER A 25 1.143 -6.541 5.978 1.00 0.00 C ATOM 326 C SER A 25 0.128 -5.484 6.419 1.00 0.00 C ATOM 327 O SER A 25 0.083 -4.389 5.859 1.00 0.00 O ATOM 328 CB SER A 25 2.210 -6.735 7.057 1.00 0.00 C ATOM 329 OG SER A 25 1.794 -7.660 8.058 1.00 0.00 O ATOM 0 H SER A 25 1.942 -5.159 4.620 1.00 0.00 H new ATOM 0 HA SER A 25 0.630 -7.493 5.838 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.132 -7.090 6.596 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.435 -5.775 7.521 1.00 0.00 H new ATOM 0 HG SER A 25 2.503 -7.758 8.728 1.00 0.00 H new ATOM 335 N PHE A 26 -0.661 -5.848 7.419 1.00 0.00 N ATOM 336 CA PHE A 26 -1.672 -4.945 7.941 1.00 0.00 C ATOM 337 C PHE A 26 -1.972 -5.248 9.411 1.00 0.00 C ATOM 338 O PHE A 26 -1.697 -6.347 9.890 1.00 0.00 O ATOM 339 CB PHE A 26 -2.942 -5.170 7.117 1.00 0.00 C ATOM 340 CG PHE A 26 -2.756 -4.946 5.615 1.00 0.00 C ATOM 341 CD1 PHE A 26 -2.753 -3.683 5.111 1.00 0.00 C ATOM 342 CD2 PHE A 26 -2.595 -6.010 4.784 1.00 0.00 C ATOM 343 CE1 PHE A 26 -2.581 -3.475 3.717 1.00 0.00 C ATOM 344 CE2 PHE A 26 -2.422 -5.803 3.390 1.00 0.00 C ATOM 345 CZ PHE A 26 -2.419 -4.540 2.886 1.00 0.00 C ATOM 0 H PHE A 26 -0.620 -6.756 7.882 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.321 -3.915 7.874 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.294 -6.188 7.281 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.722 -4.501 7.480 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.881 -2.838 5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.599 -7.013 5.184 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.579 -2.472 3.317 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.293 -6.648 2.730 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.288 -4.382 1.826 1.00 0.00 H new ATOM 355 N SER A 27 -2.532 -4.254 10.085 1.00 0.00 N ATOM 356 CA SER A 27 -2.872 -4.401 11.490 1.00 0.00 C ATOM 357 C SER A 27 -3.855 -3.306 11.907 1.00 0.00 C ATOM 358 O SER A 27 -3.853 -2.215 11.339 1.00 0.00 O ATOM 359 CB SER A 27 -1.619 -4.353 12.367 1.00 0.00 C ATOM 360 OG SER A 27 -0.784 -5.490 12.169 1.00 0.00 O ATOM 0 H SER A 27 -2.759 -3.344 9.684 1.00 0.00 H new ATOM 0 HA SER A 27 -3.342 -5.374 11.629 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.056 -3.447 12.145 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.912 -4.297 13.415 1.00 0.00 H new ATOM 0 HG SER A 27 -1.234 -6.127 11.575 1.00 0.00 H new ATOM 366 N GLU A 28 -4.672 -3.635 12.897 1.00 0.00 N ATOM 367 CA GLU A 28 -5.659 -2.693 13.397 1.00 0.00 C ATOM 368 C GLU A 28 -6.652 -2.327 12.292 1.00 0.00 C ATOM 369 O GLU A 28 -6.886 -1.148 12.029 1.00 0.00 O ATOM 370 CB GLU A 28 -4.985 -1.443 13.965 1.00 0.00 C ATOM 371 CG GLU A 28 -4.306 -1.745 15.303 1.00 0.00 C ATOM 372 CD GLU A 28 -5.019 -1.031 16.453 1.00 0.00 C ATOM 373 OE1 GLU A 28 -6.254 -0.872 16.344 1.00 0.00 O ATOM 374 OE2 GLU A 28 -4.313 -0.660 17.415 1.00 0.00 O ATOM 0 H GLU A 28 -4.671 -4.541 13.366 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.209 -3.170 14.208 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.247 -1.069 13.255 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.726 -0.655 14.099 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.308 -2.820 15.481 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.263 -1.430 15.265 1.00 0.00 H new ATOM 381 N ILE A 29 -7.208 -3.359 11.675 1.00 0.00 N ATOM 382 CA ILE A 29 -8.170 -3.160 10.604 1.00 0.00 C ATOM 383 C ILE A 29 -9.554 -2.912 11.207 1.00 0.00 C ATOM 384 O ILE A 29 -9.947 -3.579 12.163 1.00 0.00 O ATOM 385 CB ILE A 29 -8.128 -4.333 9.622 1.00 0.00 C ATOM 386 CG1 ILE A 29 -6.685 -4.735 9.309 1.00 0.00 C ATOM 387 CG2 ILE A 29 -8.923 -4.015 8.354 1.00 0.00 C ATOM 388 CD1 ILE A 29 -6.590 -5.412 7.940 1.00 0.00 C ATOM 0 H ILE A 29 -7.011 -4.335 11.896 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.913 -2.276 10.020 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.606 -5.191 10.094 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.046 -3.853 9.328 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.317 -5.412 10.080 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.877 -4.865 7.673 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.962 -3.816 8.616 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.497 -3.137 7.868 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.554 -5.688 7.742 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.212 -6.307 7.933 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.936 -4.724 7.169 1.00 0.00 H new ATOM 400 N LEU A 30 -10.255 -1.951 10.623 1.00 0.00 N ATOM 401 CA LEU A 30 -11.587 -1.607 11.091 1.00 0.00 C ATOM 402 C LEU A 30 -12.613 -1.989 10.022 1.00 0.00 C ATOM 403 O LEU A 30 -12.676 -3.143 9.602 1.00 0.00 O ATOM 404 CB LEU A 30 -11.646 -0.134 11.501 1.00 0.00 C ATOM 405 CG LEU A 30 -10.814 0.255 12.725 1.00 0.00 C ATOM 406 CD1 LEU A 30 -11.186 -0.602 13.936 1.00 0.00 C ATOM 407 CD2 LEU A 30 -9.317 0.189 12.414 1.00 0.00 C ATOM 0 H LEU A 30 -9.926 -1.400 9.830 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.834 -2.175 11.988 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.318 0.471 10.656 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -12.686 0.127 11.695 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.045 1.289 12.980 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.580 -0.305 14.792 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.241 -0.461 14.172 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -11.003 -1.652 13.709 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.748 0.470 13.300 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.051 -0.826 12.119 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.084 0.876 11.601 1.00 0.00 H new ATOM 419 N ASP A 31 -13.391 -0.998 9.613 1.00 0.00 N ATOM 420 CA ASP A 31 -14.410 -1.216 8.601 1.00 0.00 C ATOM 421 C ASP A 31 -14.052 -0.423 7.342 1.00 0.00 C ATOM 422 O ASP A 31 -14.365 -0.843 6.230 1.00 0.00 O ATOM 423 CB ASP A 31 -15.780 -0.736 9.087 1.00 0.00 C ATOM 424 CG ASP A 31 -15.810 0.695 9.626 1.00 0.00 C ATOM 425 OD1 ASP A 31 -14.838 1.060 10.322 1.00 0.00 O ATOM 426 OD2 ASP A 31 -16.804 1.393 9.329 1.00 0.00 O ATOM 0 H ASP A 31 -13.336 -0.042 9.964 1.00 0.00 H new ATOM 0 HA ASP A 31 -14.454 -2.285 8.393 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -16.489 -0.812 8.262 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -16.128 -1.410 9.870 1.00 0.00 H new ATOM 431 N THR A 32 -13.399 0.709 7.560 1.00 0.00 N ATOM 432 CA THR A 32 -12.994 1.564 6.457 1.00 0.00 C ATOM 433 C THR A 32 -11.614 2.166 6.728 1.00 0.00 C ATOM 434 O THR A 32 -11.219 3.136 6.084 1.00 0.00 O ATOM 435 CB THR A 32 -14.085 2.616 6.249 1.00 0.00 C ATOM 436 OG1 THR A 32 -13.932 3.499 7.358 1.00 0.00 O ATOM 437 CG2 THR A 32 -15.493 2.042 6.422 1.00 0.00 C ATOM 0 H THR A 32 -13.140 1.054 8.484 1.00 0.00 H new ATOM 0 HA THR A 32 -12.890 0.995 5.533 1.00 0.00 H new ATOM 0 HB THR A 32 -13.988 3.046 5.252 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.600 4.214 7.302 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.229 2.830 6.264 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.653 1.245 5.696 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.601 1.641 7.430 1.00 0.00 H new ATOM 445 N SER A 33 -10.918 1.564 7.682 1.00 0.00 N ATOM 446 CA SER A 33 -9.590 2.029 8.045 1.00 0.00 C ATOM 447 C SER A 33 -8.718 0.844 8.463 1.00 0.00 C ATOM 448 O SER A 33 -9.171 -0.041 9.187 1.00 0.00 O ATOM 449 CB SER A 33 -9.657 3.062 9.172 1.00 0.00 C ATOM 450 OG SER A 33 -10.848 2.933 9.944 1.00 0.00 O ATOM 0 H SER A 33 -11.249 0.759 8.214 1.00 0.00 H new ATOM 0 HA SER A 33 -9.146 2.510 7.174 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.789 2.947 9.822 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.607 4.065 8.748 1.00 0.00 H new ATOM 0 HG SER A 33 -10.852 3.609 10.654 1.00 0.00 H new ATOM 456 N LEU A 34 -7.480 0.864 7.989 1.00 0.00 N ATOM 457 CA LEU A 34 -6.540 -0.198 8.305 1.00 0.00 C ATOM 458 C LEU A 34 -5.114 0.303 8.068 1.00 0.00 C ATOM 459 O LEU A 34 -4.881 1.130 7.188 1.00 0.00 O ATOM 460 CB LEU A 34 -6.884 -1.467 7.524 1.00 0.00 C ATOM 461 CG LEU A 34 -6.434 -1.498 6.061 1.00 0.00 C ATOM 462 CD1 LEU A 34 -4.911 -1.589 5.958 1.00 0.00 C ATOM 463 CD2 LEU A 34 -7.129 -2.627 5.297 1.00 0.00 C ATOM 0 H LEU A 34 -7.107 1.599 7.389 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.612 -0.471 9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.438 -2.318 8.039 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.965 -1.606 7.554 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.733 -0.561 5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.618 -1.609 4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.461 -0.723 6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.567 -2.499 6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.791 -2.627 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.883 -3.584 5.758 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.208 -2.476 5.327 1.00 0.00 H new ATOM 475 N LYS A 35 -4.197 -0.220 8.869 1.00 0.00 N ATOM 476 CA LYS A 35 -2.800 0.164 8.757 1.00 0.00 C ATOM 477 C LYS A 35 -2.024 -0.952 8.053 1.00 0.00 C ATOM 478 O LYS A 35 -2.241 -2.131 8.326 1.00 0.00 O ATOM 479 CB LYS A 35 -2.235 0.534 10.130 1.00 0.00 C ATOM 480 CG LYS A 35 -1.176 1.632 10.008 1.00 0.00 C ATOM 481 CD LYS A 35 0.235 1.041 10.056 1.00 0.00 C ATOM 482 CE LYS A 35 0.711 0.874 11.500 1.00 0.00 C ATOM 483 NZ LYS A 35 0.851 2.194 12.155 1.00 0.00 N ATOM 0 H LYS A 35 -4.394 -0.906 9.598 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.698 1.060 8.144 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.042 0.872 10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.797 -0.348 10.597 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.315 2.174 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.300 2.353 10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.246 0.075 9.552 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.924 1.690 9.515 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.002 0.260 12.054 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.667 0.350 11.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.566 2.134 12.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.147 2.901 11.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.062 2.476 12.566 1.00 0.00 H new ATOM 497 N VAL A 36 -1.136 -0.539 7.161 1.00 0.00 N ATOM 498 CA VAL A 36 -0.327 -1.488 6.416 1.00 0.00 C ATOM 499 C VAL A 36 1.123 -1.404 6.897 1.00 0.00 C ATOM 500 O VAL A 36 1.541 -0.385 7.445 1.00 0.00 O ATOM 501 CB VAL A 36 -0.474 -1.236 4.914 1.00 0.00 C ATOM 502 CG1 VAL A 36 -1.218 0.074 4.648 1.00 0.00 C ATOM 503 CG2 VAL A 36 0.890 -1.243 4.220 1.00 0.00 C ATOM 0 H VAL A 36 -0.959 0.440 6.937 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.671 -2.507 6.596 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.067 -2.049 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.309 0.229 3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.212 0.025 5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.664 0.903 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.757 -1.062 3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.519 -0.461 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.368 -2.212 4.366 1.00 0.00 H new ATOM 513 N SER A 37 1.852 -2.488 6.674 1.00 0.00 N ATOM 514 CA SER A 37 3.246 -2.549 7.077 1.00 0.00 C ATOM 515 C SER A 37 4.025 -3.466 6.132 1.00 0.00 C ATOM 516 O SER A 37 3.626 -4.606 5.899 1.00 0.00 O ATOM 517 CB SER A 37 3.381 -3.038 8.521 1.00 0.00 C ATOM 518 OG SER A 37 2.326 -3.924 8.885 1.00 0.00 O ATOM 0 H SER A 37 1.503 -3.331 6.219 1.00 0.00 H new ATOM 0 HA SER A 37 3.662 -1.543 7.022 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.338 -3.544 8.644 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.384 -2.181 9.195 1.00 0.00 H new ATOM 0 HG SER A 37 2.449 -4.215 9.813 1.00 0.00 H new ATOM 524 N TRP A 38 5.121 -2.934 5.613 1.00 0.00 N ATOM 525 CA TRP A 38 5.960 -3.690 4.698 1.00 0.00 C ATOM 526 C TRP A 38 7.400 -3.620 5.209 1.00 0.00 C ATOM 527 O TRP A 38 7.644 -3.179 6.332 1.00 0.00 O ATOM 528 CB TRP A 38 5.809 -3.177 3.265 1.00 0.00 C ATOM 529 CG TRP A 38 6.095 -1.682 3.105 1.00 0.00 C ATOM 530 CD1 TRP A 38 7.282 -1.083 2.938 1.00 0.00 C ATOM 531 CD2 TRP A 38 5.123 -0.616 3.105 1.00 0.00 C ATOM 532 NE1 TRP A 38 7.146 0.286 2.830 1.00 0.00 N ATOM 533 CE2 TRP A 38 5.791 0.579 2.935 1.00 0.00 C ATOM 534 CE3 TRP A 38 3.724 -0.660 3.244 1.00 0.00 C ATOM 535 CZ2 TRP A 38 5.144 1.820 2.888 1.00 0.00 C ATOM 536 CZ3 TRP A 38 3.092 0.589 3.195 1.00 0.00 C ATOM 537 CH2 TRP A 38 3.751 1.801 3.024 1.00 0.00 C ATOM 0 H TRP A 38 5.448 -1.988 5.808 1.00 0.00 H new ATOM 0 HA TRP A 38 5.652 -4.735 4.667 1.00 0.00 H new ATOM 0 HB2 TRP A 38 6.483 -3.737 2.617 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.795 -3.381 2.922 1.00 0.00 H new ATOM 0 HD1 TRP A 38 8.226 -1.606 2.894 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.901 0.959 2.698 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.180 -1.584 3.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 5.690 2.742 2.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 2.017 0.612 3.297 1.00 0.00 H new ATOM 0 HH2 TRP A 38 3.191 2.724 2.996 1.00 0.00 H new ATOM 548 N GLN A 39 8.317 -4.063 4.361 1.00 0.00 N ATOM 549 CA GLN A 39 9.727 -4.056 4.713 1.00 0.00 C ATOM 550 C GLN A 39 10.563 -3.531 3.545 1.00 0.00 C ATOM 551 O GLN A 39 10.024 -3.205 2.488 1.00 0.00 O ATOM 552 CB GLN A 39 10.192 -5.450 5.138 1.00 0.00 C ATOM 553 CG GLN A 39 10.342 -5.539 6.658 1.00 0.00 C ATOM 554 CD GLN A 39 11.781 -5.239 7.086 1.00 0.00 C ATOM 555 OE1 GLN A 39 12.725 -5.395 6.330 1.00 0.00 O ATOM 556 NE2 GLN A 39 11.893 -4.800 8.336 1.00 0.00 N ATOM 0 H GLN A 39 8.111 -4.429 3.431 1.00 0.00 H new ATOM 0 HA GLN A 39 9.867 -3.388 5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 39 9.475 -6.196 4.796 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.145 -5.681 4.661 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.662 -4.834 7.136 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.058 -6.535 6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.060 -4.692 8.915 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.812 -4.571 8.716 1.00 0.00 H new ATOM 565 N GLU A 40 11.867 -3.465 3.774 1.00 0.00 N ATOM 566 CA GLU A 40 12.783 -2.985 2.753 1.00 0.00 C ATOM 567 C GLU A 40 13.094 -4.101 1.753 1.00 0.00 C ATOM 568 O GLU A 40 13.349 -5.238 2.146 1.00 0.00 O ATOM 569 CB GLU A 40 14.066 -2.438 3.382 1.00 0.00 C ATOM 570 CG GLU A 40 14.161 -0.922 3.201 1.00 0.00 C ATOM 571 CD GLU A 40 15.314 -0.343 4.024 1.00 0.00 C ATOM 572 OE1 GLU A 40 15.713 -1.020 4.996 1.00 0.00 O ATOM 573 OE2 GLU A 40 15.769 0.764 3.663 1.00 0.00 O ATOM 0 H GLU A 40 12.311 -3.736 4.652 1.00 0.00 H new ATOM 0 HA GLU A 40 12.303 -2.166 2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.088 -2.683 4.444 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.932 -2.917 2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 40 14.308 -0.686 2.147 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.223 -0.456 3.504 1.00 0.00 H new ATOM 580 N PRO A 41 13.063 -3.726 0.446 1.00 0.00 N ATOM 581 CA PRO A 41 13.339 -4.681 -0.613 1.00 0.00 C ATOM 582 C PRO A 41 14.836 -4.986 -0.700 1.00 0.00 C ATOM 583 O PRO A 41 15.666 -4.141 -0.368 1.00 0.00 O ATOM 584 CB PRO A 41 12.790 -4.039 -1.876 1.00 0.00 C ATOM 585 CG PRO A 41 12.646 -2.558 -1.562 1.00 0.00 C ATOM 586 CD PRO A 41 12.765 -2.388 -0.056 1.00 0.00 C ATOM 0 HA PRO A 41 12.870 -5.649 -0.438 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.464 -4.196 -2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.830 -4.475 -2.150 1.00 0.00 H new ATOM 0 HG2 PRO A 41 13.418 -1.982 -2.073 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.684 -2.185 -1.914 1.00 0.00 H new ATOM 0 HD2 PRO A 41 13.556 -1.683 0.202 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.841 -2.001 0.373 1.00 0.00 H new ATOM 594 N GLY A 42 15.136 -6.196 -1.149 1.00 0.00 N ATOM 595 CA GLY A 42 16.519 -6.622 -1.284 1.00 0.00 C ATOM 596 C GLY A 42 17.105 -6.166 -2.622 1.00 0.00 C ATOM 597 O GLY A 42 18.308 -6.282 -2.848 1.00 0.00 O ATOM 0 H GLY A 42 14.445 -6.895 -1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.111 -6.213 -0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.578 -7.708 -1.208 1.00 0.00 H new ATOM 601 N GLU A 43 16.227 -5.657 -3.474 1.00 0.00 N ATOM 602 CA GLU A 43 16.643 -5.183 -4.783 1.00 0.00 C ATOM 603 C GLU A 43 16.561 -3.656 -4.845 1.00 0.00 C ATOM 604 O GLU A 43 16.197 -3.092 -5.875 1.00 0.00 O ATOM 605 CB GLU A 43 15.802 -5.822 -5.890 1.00 0.00 C ATOM 606 CG GLU A 43 14.490 -6.377 -5.331 1.00 0.00 C ATOM 607 CD GLU A 43 13.755 -7.210 -6.383 1.00 0.00 C ATOM 608 OE1 GLU A 43 13.763 -6.779 -7.556 1.00 0.00 O ATOM 609 OE2 GLU A 43 13.202 -8.260 -5.990 1.00 0.00 O ATOM 0 H GLU A 43 15.229 -5.563 -3.283 1.00 0.00 H new ATOM 0 HA GLU A 43 17.680 -5.479 -4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 43 15.589 -5.083 -6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.368 -6.624 -6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 43 14.695 -6.991 -4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 43 13.854 -5.555 -5.003 1.00 0.00 H new ATOM 616 N LYS A 44 16.908 -3.031 -3.729 1.00 0.00 N ATOM 617 CA LYS A 44 16.878 -1.581 -3.643 1.00 0.00 C ATOM 618 C LYS A 44 17.388 -0.987 -4.958 1.00 0.00 C ATOM 619 O LYS A 44 16.968 0.098 -5.357 1.00 0.00 O ATOM 620 CB LYS A 44 17.649 -1.101 -2.412 1.00 0.00 C ATOM 621 CG LYS A 44 17.006 -1.623 -1.125 1.00 0.00 C ATOM 622 CD LYS A 44 17.523 -0.858 0.095 1.00 0.00 C ATOM 623 CE LYS A 44 16.990 -1.471 1.392 1.00 0.00 C ATOM 624 NZ LYS A 44 18.054 -2.236 2.079 1.00 0.00 N ATOM 0 H LYS A 44 17.211 -3.503 -2.877 1.00 0.00 H new ATOM 0 HA LYS A 44 15.856 -1.228 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 44 18.683 -1.441 -2.470 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.673 -0.011 -2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.922 -1.523 -1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.222 -2.685 -1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.613 -0.872 0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 44 17.218 0.187 0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.619 -0.683 2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.147 -2.126 1.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.676 -2.645 2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.389 -3.000 1.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.846 -1.602 2.306 1.00 0.00 H new ATOM 638 N ASN A 45 18.287 -1.723 -5.594 1.00 0.00 N ATOM 639 CA ASN A 45 18.859 -1.283 -6.855 1.00 0.00 C ATOM 640 C ASN A 45 19.117 0.224 -6.794 1.00 0.00 C ATOM 641 O ASN A 45 19.020 0.916 -7.807 1.00 0.00 O ATOM 642 CB ASN A 45 17.901 -1.551 -8.018 1.00 0.00 C ATOM 643 CG ASN A 45 17.988 -3.009 -8.473 1.00 0.00 C ATOM 644 OD1 ASN A 45 18.945 -3.436 -9.098 1.00 0.00 O ATOM 645 ND2 ASN A 45 16.937 -3.747 -8.128 1.00 0.00 N ATOM 0 H ASN A 45 18.634 -2.622 -5.259 1.00 0.00 H new ATOM 0 HA ASN A 45 19.785 -1.835 -7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 45 16.880 -1.321 -7.713 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.141 -0.891 -8.852 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.899 -4.733 -8.387 1.00 0.00 H new ATOM 0 HD22 ASN A 45 16.169 -3.327 -7.604 1.00 0.00 H new ATOM 652 N GLY A 46 19.442 0.689 -5.597 1.00 0.00 N ATOM 653 CA GLY A 46 19.715 2.101 -5.390 1.00 0.00 C ATOM 654 C GLY A 46 19.192 2.567 -4.030 1.00 0.00 C ATOM 655 O GLY A 46 18.508 1.819 -3.334 1.00 0.00 O ATOM 0 H GLY A 46 19.523 0.112 -4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 46 20.788 2.280 -5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 46 19.248 2.685 -6.183 1.00 0.00 H new ATOM 659 N ILE A 47 19.535 3.802 -3.692 1.00 0.00 N ATOM 660 CA ILE A 47 19.109 4.377 -2.428 1.00 0.00 C ATOM 661 C ILE A 47 17.618 4.712 -2.501 1.00 0.00 C ATOM 662 O ILE A 47 17.183 5.427 -3.404 1.00 0.00 O ATOM 663 CB ILE A 47 19.991 5.572 -2.058 1.00 0.00 C ATOM 664 CG1 ILE A 47 21.407 5.118 -1.700 1.00 0.00 C ATOM 665 CG2 ILE A 47 19.353 6.398 -0.940 1.00 0.00 C ATOM 666 CD1 ILE A 47 21.376 3.962 -0.698 1.00 0.00 C ATOM 0 H ILE A 47 20.103 4.420 -4.272 1.00 0.00 H new ATOM 0 HA ILE A 47 19.234 3.656 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 47 20.073 6.220 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.932 4.807 -2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 47 21.965 5.954 -1.279 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.000 7.241 -0.696 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.383 6.769 -1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.221 5.774 -0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 47 22.396 3.659 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.872 4.284 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 47 20.838 3.119 -1.132 1.00 0.00 H new ATOM 678 N LEU A 48 16.876 4.181 -1.540 1.00 0.00 N ATOM 679 CA LEU A 48 15.444 4.416 -1.485 1.00 0.00 C ATOM 680 C LEU A 48 15.183 5.854 -1.034 1.00 0.00 C ATOM 681 O LEU A 48 15.715 6.296 -0.017 1.00 0.00 O ATOM 682 CB LEU A 48 14.762 3.364 -0.608 1.00 0.00 C ATOM 683 CG LEU A 48 15.060 1.904 -0.958 1.00 0.00 C ATOM 684 CD1 LEU A 48 14.477 0.959 0.095 1.00 0.00 C ATOM 685 CD2 LEU A 48 14.568 1.566 -2.366 1.00 0.00 C ATOM 0 H LEU A 48 17.240 3.589 -0.794 1.00 0.00 H new ATOM 0 HA LEU A 48 15.003 4.308 -2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.057 3.536 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.684 3.517 -0.663 1.00 0.00 H new ATOM 0 HG LEU A 48 16.141 1.765 -0.953 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.702 -0.072 -0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.916 1.182 1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.396 1.093 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.792 0.523 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.491 1.726 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.069 2.208 -3.090 1.00 0.00 H new ATOM 697 N THR A 49 14.365 6.546 -1.814 1.00 0.00 N ATOM 698 CA THR A 49 14.027 7.926 -1.507 1.00 0.00 C ATOM 699 C THR A 49 12.667 8.000 -0.811 1.00 0.00 C ATOM 700 O THR A 49 12.320 9.026 -0.227 1.00 0.00 O ATOM 701 CB THR A 49 14.088 8.728 -2.809 1.00 0.00 C ATOM 702 OG1 THR A 49 13.255 7.998 -3.705 1.00 0.00 O ATOM 703 CG2 THR A 49 15.471 8.679 -3.463 1.00 0.00 C ATOM 0 H THR A 49 13.926 6.177 -2.658 1.00 0.00 H new ATOM 0 HA THR A 49 14.739 8.361 -0.806 1.00 0.00 H new ATOM 0 HB THR A 49 13.817 9.765 -2.610 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.236 8.449 -4.575 1.00 0.00 H new ATOM 0 HG21 THR A 49 15.459 9.264 -4.383 1.00 0.00 H new ATOM 0 HG22 THR A 49 16.212 9.093 -2.779 1.00 0.00 H new ATOM 0 HG23 THR A 49 15.728 7.645 -3.694 1.00 0.00 H new ATOM 711 N GLY A 50 11.934 6.900 -0.896 1.00 0.00 N ATOM 712 CA GLY A 50 10.619 6.828 -0.281 1.00 0.00 C ATOM 713 C GLY A 50 9.818 5.649 -0.838 1.00 0.00 C ATOM 714 O GLY A 50 10.322 4.882 -1.656 1.00 0.00 O ATOM 0 H GLY A 50 12.225 6.051 -1.381 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.724 6.724 0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.078 7.757 -0.460 1.00 0.00 H new ATOM 718 N TYR A 51 8.582 5.543 -0.371 1.00 0.00 N ATOM 719 CA TYR A 51 7.706 4.471 -0.812 1.00 0.00 C ATOM 720 C TYR A 51 6.352 5.021 -1.264 1.00 0.00 C ATOM 721 O TYR A 51 5.813 5.939 -0.647 1.00 0.00 O ATOM 722 CB TYR A 51 7.496 3.569 0.406 1.00 0.00 C ATOM 723 CG TYR A 51 8.751 2.810 0.842 1.00 0.00 C ATOM 724 CD1 TYR A 51 9.212 1.750 0.088 1.00 0.00 C ATOM 725 CD2 TYR A 51 9.420 3.184 1.989 1.00 0.00 C ATOM 726 CE1 TYR A 51 10.393 1.035 0.498 1.00 0.00 C ATOM 727 CE2 TYR A 51 10.601 2.469 2.399 1.00 0.00 C ATOM 728 CZ TYR A 51 11.029 1.430 1.633 1.00 0.00 C ATOM 729 OH TYR A 51 12.145 0.755 2.020 1.00 0.00 O ATOM 0 H TYR A 51 8.167 6.181 0.308 1.00 0.00 H new ATOM 0 HA TYR A 51 8.146 3.938 -1.655 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.144 4.177 1.239 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.709 2.850 0.181 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.687 1.457 -0.809 1.00 0.00 H new ATOM 0 HD2 TYR A 51 9.058 4.013 2.579 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.765 0.204 -0.083 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.135 2.752 3.294 1.00 0.00 H new ATOM 0 HH TYR A 51 12.745 1.363 2.501 1.00 0.00 H new ATOM 739 N ARG A 52 5.840 4.436 -2.338 1.00 0.00 N ATOM 740 CA ARG A 52 4.559 4.856 -2.879 1.00 0.00 C ATOM 741 C ARG A 52 3.486 3.806 -2.581 1.00 0.00 C ATOM 742 O ARG A 52 3.519 2.707 -3.132 1.00 0.00 O ATOM 743 CB ARG A 52 4.644 5.073 -4.392 1.00 0.00 C ATOM 744 CG ARG A 52 3.249 5.179 -5.010 1.00 0.00 C ATOM 745 CD ARG A 52 3.190 6.311 -6.038 1.00 0.00 C ATOM 746 NE ARG A 52 2.105 6.053 -7.012 1.00 0.00 N ATOM 747 CZ ARG A 52 2.076 6.556 -8.254 1.00 0.00 C ATOM 748 NH1 ARG A 52 3.071 7.345 -8.681 1.00 0.00 N ATOM 749 NH2 ARG A 52 1.052 6.269 -9.069 1.00 0.00 N ATOM 0 H ARG A 52 6.289 3.675 -2.847 1.00 0.00 H new ATOM 0 HA ARG A 52 4.292 5.799 -2.402 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.208 5.982 -4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.187 4.247 -4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.986 4.235 -5.487 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.512 5.356 -4.226 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.019 7.262 -5.534 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.145 6.392 -6.557 1.00 0.00 H new ATOM 0 HE ARG A 52 1.332 5.455 -6.720 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.851 7.563 -8.061 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.049 7.728 -9.626 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.295 5.668 -8.744 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.030 6.652 -10.014 1.00 0.00 H new ATOM 763 N ILE A 53 2.561 4.182 -1.710 1.00 0.00 N ATOM 764 CA ILE A 53 1.481 3.287 -1.333 1.00 0.00 C ATOM 765 C ILE A 53 0.206 3.690 -2.076 1.00 0.00 C ATOM 766 O ILE A 53 -0.041 4.875 -2.293 1.00 0.00 O ATOM 767 CB ILE A 53 1.321 3.252 0.189 1.00 0.00 C ATOM 768 CG1 ILE A 53 0.261 2.231 0.605 1.00 0.00 C ATOM 769 CG2 ILE A 53 1.022 4.647 0.740 1.00 0.00 C ATOM 770 CD1 ILE A 53 0.373 1.900 2.095 1.00 0.00 C ATOM 0 H ILE A 53 2.537 5.094 -1.255 1.00 0.00 H new ATOM 0 HA ILE A 53 1.713 2.264 -1.630 1.00 0.00 H new ATOM 0 HB ILE A 53 2.266 2.930 0.625 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.732 2.625 0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.377 1.321 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.913 4.595 1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 53 1.842 5.320 0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.098 5.022 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.392 1.172 2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.359 1.484 2.302 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.232 2.808 2.681 1.00 0.00 H new ATOM 782 N SER A 54 -0.569 2.682 -2.446 1.00 0.00 N ATOM 783 CA SER A 54 -1.812 2.917 -3.161 1.00 0.00 C ATOM 784 C SER A 54 -2.834 1.836 -2.802 1.00 0.00 C ATOM 785 O SER A 54 -2.643 0.664 -3.126 1.00 0.00 O ATOM 786 CB SER A 54 -1.581 2.948 -4.673 1.00 0.00 C ATOM 787 OG SER A 54 -0.213 3.174 -4.999 1.00 0.00 O ATOM 0 H SER A 54 -0.361 1.700 -2.264 1.00 0.00 H new ATOM 0 HA SER A 54 -2.201 3.890 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.906 2.003 -5.109 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.194 3.732 -5.117 1.00 0.00 H new ATOM 0 HG SER A 54 -0.149 3.898 -5.656 1.00 0.00 H new ATOM 793 N TRP A 55 -3.897 2.267 -2.139 1.00 0.00 N ATOM 794 CA TRP A 55 -4.949 1.351 -1.733 1.00 0.00 C ATOM 795 C TRP A 55 -6.123 1.521 -2.699 1.00 0.00 C ATOM 796 O TRP A 55 -6.320 2.599 -3.258 1.00 0.00 O ATOM 797 CB TRP A 55 -5.339 1.577 -0.271 1.00 0.00 C ATOM 798 CG TRP A 55 -6.029 2.918 -0.012 1.00 0.00 C ATOM 799 CD1 TRP A 55 -7.298 3.258 -0.279 1.00 0.00 C ATOM 800 CD2 TRP A 55 -5.433 4.092 0.580 1.00 0.00 C ATOM 801 NE1 TRP A 55 -7.562 4.560 0.096 1.00 0.00 N ATOM 802 CE2 TRP A 55 -6.392 5.083 0.635 1.00 0.00 C ATOM 803 CE3 TRP A 55 -4.127 4.309 1.053 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -6.146 6.359 1.156 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -3.897 5.589 1.571 1.00 0.00 C ATOM 806 CH2 TRP A 55 -4.852 6.598 1.633 1.00 0.00 C ATOM 0 H TRP A 55 -4.052 3.239 -1.873 1.00 0.00 H new ATOM 0 HA TRP A 55 -4.603 0.319 -1.785 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -6.001 0.772 0.046 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -4.443 1.515 0.347 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -8.023 2.597 -0.731 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.452 5.049 -0.004 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.361 3.548 1.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.914 7.118 1.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.909 5.808 1.949 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.596 7.562 2.047 1.00 0.00 H new ATOM 817 N GLU A 56 -6.872 0.442 -2.866 1.00 0.00 N ATOM 818 CA GLU A 56 -8.021 0.458 -3.755 1.00 0.00 C ATOM 819 C GLU A 56 -8.834 -0.829 -3.596 1.00 0.00 C ATOM 820 O GLU A 56 -8.293 -1.865 -3.214 1.00 0.00 O ATOM 821 CB GLU A 56 -7.588 0.657 -5.208 1.00 0.00 C ATOM 822 CG GLU A 56 -6.950 -0.615 -5.769 1.00 0.00 C ATOM 823 CD GLU A 56 -5.677 -0.291 -6.553 1.00 0.00 C ATOM 824 OE1 GLU A 56 -4.720 0.189 -5.907 1.00 0.00 O ATOM 825 OE2 GLU A 56 -5.689 -0.531 -7.780 1.00 0.00 O ATOM 0 H GLU A 56 -6.706 -0.450 -2.400 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.655 1.301 -3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.451 0.933 -5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.878 1.482 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.715 -1.298 -4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.661 -1.127 -6.418 1.00 0.00 H new ATOM 832 N GLU A 57 -10.119 -0.720 -3.898 1.00 0.00 N ATOM 833 CA GLU A 57 -11.011 -1.862 -3.794 1.00 0.00 C ATOM 834 C GLU A 57 -10.415 -3.070 -4.521 1.00 0.00 C ATOM 835 O GLU A 57 -9.320 -2.986 -5.074 1.00 0.00 O ATOM 836 CB GLU A 57 -12.400 -1.525 -4.339 1.00 0.00 C ATOM 837 CG GLU A 57 -13.400 -1.313 -3.200 1.00 0.00 C ATOM 838 CD GLU A 57 -14.830 -1.593 -3.667 1.00 0.00 C ATOM 839 OE1 GLU A 57 -15.206 -2.785 -3.662 1.00 0.00 O ATOM 840 OE2 GLU A 57 -15.515 -0.608 -4.019 1.00 0.00 O ATOM 0 H GLU A 57 -10.564 0.141 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.122 -2.116 -2.740 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.346 -0.625 -4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.746 -2.331 -4.986 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.151 -1.969 -2.366 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.327 -0.289 -2.833 1.00 0.00 H new ATOM 847 N TYR A 58 -11.162 -4.164 -4.495 1.00 0.00 N ATOM 848 CA TYR A 58 -10.721 -5.386 -5.145 1.00 0.00 C ATOM 849 C TYR A 58 -10.417 -5.142 -6.624 1.00 0.00 C ATOM 850 O TYR A 58 -9.276 -5.289 -7.059 1.00 0.00 O ATOM 851 CB TYR A 58 -11.889 -6.368 -5.032 1.00 0.00 C ATOM 852 CG TYR A 58 -11.801 -7.552 -5.997 1.00 0.00 C ATOM 853 CD1 TYR A 58 -10.768 -8.459 -5.885 1.00 0.00 C ATOM 854 CD2 TYR A 58 -12.757 -7.713 -6.981 1.00 0.00 C ATOM 855 CE1 TYR A 58 -10.685 -9.573 -6.794 1.00 0.00 C ATOM 856 CE2 TYR A 58 -12.675 -8.827 -7.889 1.00 0.00 C ATOM 857 CZ TYR A 58 -11.643 -9.702 -7.751 1.00 0.00 C ATOM 858 OH TYR A 58 -11.565 -10.754 -8.609 1.00 0.00 O ATOM 0 H TYR A 58 -12.070 -4.229 -4.034 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.811 -5.762 -4.678 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.934 -6.747 -4.011 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -12.820 -5.832 -5.215 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.021 -8.334 -5.115 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -13.566 -7.003 -7.069 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.881 -10.290 -6.718 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -13.416 -8.965 -8.662 1.00 0.00 H new ATOM 0 HH TYR A 58 -12.316 -10.720 -9.238 1.00 0.00 H new ATOM 868 N ASN A 59 -11.458 -4.773 -7.356 1.00 0.00 N ATOM 869 CA ASN A 59 -11.316 -4.507 -8.778 1.00 0.00 C ATOM 870 C ASN A 59 -11.951 -3.154 -9.105 1.00 0.00 C ATOM 871 O ASN A 59 -12.939 -3.087 -9.834 1.00 0.00 O ATOM 872 CB ASN A 59 -12.026 -5.575 -9.612 1.00 0.00 C ATOM 873 CG ASN A 59 -11.312 -5.792 -10.948 1.00 0.00 C ATOM 874 OD1 ASN A 59 -11.191 -4.898 -11.769 1.00 0.00 O ATOM 875 ND2 ASN A 59 -10.848 -7.027 -11.119 1.00 0.00 N ATOM 0 H ASN A 59 -12.403 -4.652 -6.992 1.00 0.00 H new ATOM 0 HA ASN A 59 -10.252 -4.511 -9.017 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.059 -6.512 -9.057 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -13.058 -5.274 -9.792 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.357 -7.273 -11.978 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.984 -7.728 -10.391 1.00 0.00 H new ATOM 882 N ARG A 60 -11.357 -2.108 -8.549 1.00 0.00 N ATOM 883 CA ARG A 60 -11.851 -0.760 -8.772 1.00 0.00 C ATOM 884 C ARG A 60 -10.718 0.255 -8.610 1.00 0.00 C ATOM 885 O ARG A 60 -10.306 0.557 -7.491 1.00 0.00 O ATOM 886 CB ARG A 60 -12.977 -0.418 -7.794 1.00 0.00 C ATOM 887 CG ARG A 60 -14.274 -1.135 -8.178 1.00 0.00 C ATOM 888 CD ARG A 60 -15.386 -0.831 -7.172 1.00 0.00 C ATOM 889 NE ARG A 60 -16.679 -0.681 -7.877 1.00 0.00 N ATOM 890 CZ ARG A 60 -17.437 -1.709 -8.283 1.00 0.00 C ATOM 891 NH1 ARG A 60 -17.036 -2.967 -8.057 1.00 0.00 N ATOM 892 NH2 ARG A 60 -18.595 -1.478 -8.916 1.00 0.00 N ATOM 0 H ARG A 60 -10.538 -2.167 -7.944 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.241 -0.714 -9.789 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.685 -0.704 -6.783 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -13.142 0.659 -7.786 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.585 -0.823 -9.175 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -14.101 -2.210 -8.220 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -15.453 -1.634 -6.438 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -15.153 0.082 -6.624 1.00 0.00 H new ATOM 0 HE ARG A 60 -17.014 0.264 -8.066 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -16.154 -3.142 -7.576 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.613 -3.749 -8.366 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -18.899 -0.520 -9.089 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -19.172 -2.260 -9.225 1.00 0.00 H new ATOM 906 N THR A 61 -10.247 0.754 -9.743 1.00 0.00 N ATOM 907 CA THR A 61 -9.169 1.729 -9.741 1.00 0.00 C ATOM 908 C THR A 61 -9.700 3.109 -9.347 1.00 0.00 C ATOM 909 O THR A 61 -9.013 3.871 -8.668 1.00 0.00 O ATOM 910 CB THR A 61 -8.506 1.703 -11.119 1.00 0.00 C ATOM 911 OG1 THR A 61 -7.792 0.470 -11.138 1.00 0.00 O ATOM 912 CG2 THR A 61 -7.415 2.767 -11.264 1.00 0.00 C ATOM 0 H THR A 61 -10.592 0.502 -10.669 1.00 0.00 H new ATOM 0 HA THR A 61 -8.412 1.482 -8.996 1.00 0.00 H new ATOM 0 HB THR A 61 -9.263 1.852 -11.889 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.333 0.371 -11.998 1.00 0.00 H new ATOM 0 HG21 THR A 61 -6.977 2.705 -12.260 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.850 3.756 -11.119 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.641 2.598 -10.516 1.00 0.00 H new ATOM 920 N ASN A 62 -10.916 3.388 -9.790 1.00 0.00 N ATOM 921 CA ASN A 62 -11.547 4.663 -9.493 1.00 0.00 C ATOM 922 C ASN A 62 -11.484 4.919 -7.986 1.00 0.00 C ATOM 923 O ASN A 62 -11.558 6.064 -7.543 1.00 0.00 O ATOM 924 CB ASN A 62 -13.019 4.661 -9.911 1.00 0.00 C ATOM 925 CG ASN A 62 -13.156 4.644 -11.434 1.00 0.00 C ATOM 926 OD1 ASN A 62 -12.219 4.903 -12.171 1.00 0.00 O ATOM 927 ND2 ASN A 62 -14.374 4.325 -11.864 1.00 0.00 N ATOM 0 H ASN A 62 -11.482 2.753 -10.353 1.00 0.00 H new ATOM 0 HA ASN A 62 -11.017 5.438 -10.046 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.520 3.790 -9.487 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -13.517 5.543 -9.507 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.568 4.286 -12.865 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -15.114 4.119 -11.193 1.00 0.00 H new ATOM 934 N THR A 63 -11.347 3.833 -7.239 1.00 0.00 N ATOM 935 CA THR A 63 -11.273 3.926 -5.791 1.00 0.00 C ATOM 936 C THR A 63 -9.825 3.773 -5.320 1.00 0.00 C ATOM 937 O THR A 63 -9.576 3.332 -4.199 1.00 0.00 O ATOM 938 CB THR A 63 -12.217 2.877 -5.201 1.00 0.00 C ATOM 939 OG1 THR A 63 -11.952 1.703 -5.964 1.00 0.00 O ATOM 940 CG2 THR A 63 -13.688 3.185 -5.489 1.00 0.00 C ATOM 0 H THR A 63 -11.285 2.885 -7.609 1.00 0.00 H new ATOM 0 HA THR A 63 -11.594 4.907 -5.441 1.00 0.00 H new ATOM 0 HB THR A 63 -12.063 2.816 -4.124 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.007 1.688 -6.224 1.00 0.00 H new ATOM 0 HG21 THR A 63 -14.315 2.410 -5.048 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.949 4.151 -5.057 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.850 3.213 -6.567 1.00 0.00 H new ATOM 948 N ARG A 64 -8.908 4.147 -6.200 1.00 0.00 N ATOM 949 CA ARG A 64 -7.491 4.058 -5.888 1.00 0.00 C ATOM 950 C ARG A 64 -6.941 5.437 -5.519 1.00 0.00 C ATOM 951 O ARG A 64 -7.371 6.449 -6.070 1.00 0.00 O ATOM 952 CB ARG A 64 -6.701 3.501 -7.074 1.00 0.00 C ATOM 953 CG ARG A 64 -5.238 3.263 -6.694 1.00 0.00 C ATOM 954 CD ARG A 64 -4.298 4.033 -7.625 1.00 0.00 C ATOM 955 NE ARG A 64 -2.912 3.540 -7.465 1.00 0.00 N ATOM 956 CZ ARG A 64 -2.490 2.337 -7.877 1.00 0.00 C ATOM 957 NH1 ARG A 64 -3.344 1.496 -8.476 1.00 0.00 N ATOM 958 NH2 ARG A 64 -1.214 1.974 -7.690 1.00 0.00 N ATOM 0 H ARG A 64 -9.118 4.512 -7.129 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.379 3.381 -5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.151 2.566 -7.408 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.755 4.197 -7.911 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.071 3.575 -5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.014 2.198 -6.745 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.618 3.912 -8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -4.342 5.099 -7.400 1.00 0.00 H new ATOM 0 HE ARG A 64 -2.235 4.155 -7.013 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -4.316 1.772 -8.618 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.022 0.580 -8.790 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -0.563 2.614 -7.234 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.893 1.058 -8.004 1.00 0.00 H new ATOM 972 N VAL A 65 -5.997 5.432 -4.589 1.00 0.00 N ATOM 973 CA VAL A 65 -5.383 6.670 -4.140 1.00 0.00 C ATOM 974 C VAL A 65 -3.873 6.600 -4.375 1.00 0.00 C ATOM 975 O VAL A 65 -3.313 5.514 -4.520 1.00 0.00 O ATOM 976 CB VAL A 65 -5.748 6.935 -2.678 1.00 0.00 C ATOM 977 CG1 VAL A 65 -4.990 5.990 -1.743 1.00 0.00 C ATOM 978 CG2 VAL A 65 -5.493 8.397 -2.305 1.00 0.00 C ATOM 0 H VAL A 65 -5.643 4.591 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.763 7.515 -4.715 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.814 6.740 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.268 6.200 -0.710 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.244 4.958 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.917 6.138 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.761 8.558 -1.261 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.438 8.631 -2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.098 9.045 -2.939 1.00 0.00 H new ATOM 988 N THR A 66 -3.256 7.772 -4.407 1.00 0.00 N ATOM 989 CA THR A 66 -1.822 7.858 -4.622 1.00 0.00 C ATOM 990 C THR A 66 -1.162 8.671 -3.507 1.00 0.00 C ATOM 991 O THR A 66 -1.403 9.871 -3.383 1.00 0.00 O ATOM 992 CB THR A 66 -1.587 8.439 -6.018 1.00 0.00 C ATOM 993 OG1 THR A 66 -2.161 7.475 -6.896 1.00 0.00 O ATOM 994 CG2 THR A 66 -0.106 8.458 -6.403 1.00 0.00 C ATOM 0 H THR A 66 -3.724 8.671 -4.287 1.00 0.00 H new ATOM 0 HA THR A 66 -1.357 6.873 -4.581 1.00 0.00 H new ATOM 0 HB THR A 66 -1.986 9.452 -6.061 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.055 7.773 -7.824 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.005 8.879 -7.402 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.448 9.067 -5.689 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.286 7.441 -6.393 1.00 0.00 H new ATOM 1002 N HIS A 67 -0.343 7.985 -2.723 1.00 0.00 N ATOM 1003 CA HIS A 67 0.352 8.629 -1.622 1.00 0.00 C ATOM 1004 C HIS A 67 1.844 8.294 -1.691 1.00 0.00 C ATOM 1005 O HIS A 67 2.231 7.289 -2.285 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.280 8.247 -0.282 1.00 0.00 C ATOM 1007 CG HIS A 67 -1.555 8.992 0.030 1.00 0.00 C ATOM 1008 ND1 HIS A 67 -2.635 8.634 0.782 1.00 0.00 N flip ATOM 1009 CD2 HIS A 67 -1.820 10.261 -0.455 1.00 0.00 C flip ATOM 1010 CE1 HIS A 67 -3.512 9.631 0.759 1.00 0.00 C flip ATOM 1011 NE2 HIS A 67 -3.008 10.640 -0.008 1.00 0.00 N flip ATOM 0 H HIS A 67 -0.145 6.990 -2.829 1.00 0.00 H new ATOM 0 HA HIS A 67 0.253 9.711 -1.708 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.487 7.177 -0.282 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.441 8.432 0.514 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -2.750 7.750 1.278 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.169 10.843 -1.090 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.467 9.641 1.264 1.00 0.00 H new ATOM 1019 N TYR A 68 2.640 9.155 -1.075 1.00 0.00 N ATOM 1020 CA TYR A 68 4.080 8.963 -1.059 1.00 0.00 C ATOM 1021 C TYR A 68 4.627 9.028 0.369 1.00 0.00 C ATOM 1022 O TYR A 68 4.257 9.914 1.139 1.00 0.00 O ATOM 1023 CB TYR A 68 4.669 10.119 -1.871 1.00 0.00 C ATOM 1024 CG TYR A 68 4.136 10.208 -3.302 1.00 0.00 C ATOM 1025 CD1 TYR A 68 4.569 9.311 -4.257 1.00 0.00 C ATOM 1026 CD2 TYR A 68 3.223 11.187 -3.639 1.00 0.00 C ATOM 1027 CE1 TYR A 68 4.068 9.395 -5.604 1.00 0.00 C ATOM 1028 CE2 TYR A 68 2.722 11.271 -4.986 1.00 0.00 C ATOM 1029 CZ TYR A 68 3.169 10.371 -5.902 1.00 0.00 C ATOM 1030 OH TYR A 68 2.696 10.451 -7.175 1.00 0.00 O ATOM 0 H TYR A 68 2.315 9.987 -0.583 1.00 0.00 H new ATOM 0 HA TYR A 68 4.341 7.988 -1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.457 11.056 -1.356 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.753 10.011 -1.904 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.284 8.546 -3.994 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.885 11.890 -2.892 1.00 0.00 H new ATOM 0 HE1 TYR A 68 4.399 8.699 -6.361 1.00 0.00 H new ATOM 0 HE2 TYR A 68 2.007 12.032 -5.263 1.00 0.00 H new ATOM 0 HH TYR A 68 2.061 11.194 -7.242 1.00 0.00 H new ATOM 1040 N LEU A 69 5.498 8.079 0.679 1.00 0.00 N ATOM 1041 CA LEU A 69 6.098 8.018 2.000 1.00 0.00 C ATOM 1042 C LEU A 69 7.622 8.028 1.864 1.00 0.00 C ATOM 1043 O LEU A 69 8.156 7.721 0.799 1.00 0.00 O ATOM 1044 CB LEU A 69 5.559 6.816 2.779 1.00 0.00 C ATOM 1045 CG LEU A 69 4.074 6.503 2.584 1.00 0.00 C ATOM 1046 CD1 LEU A 69 3.770 5.045 2.935 1.00 0.00 C ATOM 1047 CD2 LEU A 69 3.200 7.477 3.377 1.00 0.00 C ATOM 0 H LEU A 69 5.802 7.346 0.038 1.00 0.00 H new ATOM 0 HA LEU A 69 5.823 8.897 2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.136 5.936 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.738 6.986 3.841 1.00 0.00 H new ATOM 0 HG LEU A 69 3.832 6.638 1.530 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.708 4.849 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.353 4.387 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.032 4.859 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.149 7.233 3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.437 7.398 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.390 8.495 3.038 1.00 0.00 H new ATOM 1059 N PRO A 70 8.297 8.395 2.986 1.00 0.00 N ATOM 1060 CA PRO A 70 9.749 8.450 3.002 1.00 0.00 C ATOM 1061 C PRO A 70 10.350 7.044 3.058 1.00 0.00 C ATOM 1062 O PRO A 70 9.622 6.057 3.154 1.00 0.00 O ATOM 1063 CB PRO A 70 10.097 9.293 4.218 1.00 0.00 C ATOM 1064 CG PRO A 70 8.857 9.291 5.096 1.00 0.00 C ATOM 1065 CD PRO A 70 7.698 8.766 4.265 1.00 0.00 C ATOM 0 HA PRO A 70 10.163 8.891 2.096 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.953 8.877 4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 70 10.367 10.308 3.925 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.012 8.664 5.974 1.00 0.00 H new ATOM 0 HG3 PRO A 70 8.643 10.297 5.457 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.224 7.909 4.744 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.927 9.526 4.136 1.00 0.00 H new ATOM 1073 N ASN A 71 11.673 6.997 2.997 1.00 0.00 N ATOM 1074 CA ASN A 71 12.380 5.729 3.039 1.00 0.00 C ATOM 1075 C ASN A 71 12.600 5.321 4.498 1.00 0.00 C ATOM 1076 O ASN A 71 13.475 4.509 4.794 1.00 0.00 O ATOM 1077 CB ASN A 71 13.750 5.839 2.367 1.00 0.00 C ATOM 1078 CG ASN A 71 14.617 6.891 3.060 1.00 0.00 C ATOM 1079 OD1 ASN A 71 14.143 7.727 3.813 1.00 0.00 O ATOM 1080 ND2 ASN A 71 15.911 6.805 2.766 1.00 0.00 N ATOM 0 H ASN A 71 12.274 7.818 2.919 1.00 0.00 H new ATOM 0 HA ASN A 71 11.778 4.990 2.511 1.00 0.00 H new ATOM 0 HB2 ASN A 71 14.252 4.872 2.396 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.624 6.101 1.317 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.573 7.463 3.179 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.242 6.081 2.128 1.00 0.00 H new ATOM 1087 N VAL A 72 11.791 5.904 5.370 1.00 0.00 N ATOM 1088 CA VAL A 72 11.887 5.612 6.790 1.00 0.00 C ATOM 1089 C VAL A 72 10.587 4.957 7.260 1.00 0.00 C ATOM 1090 O VAL A 72 10.559 4.300 8.300 1.00 0.00 O ATOM 1091 CB VAL A 72 12.228 6.887 7.565 1.00 0.00 C ATOM 1092 CG1 VAL A 72 13.469 7.566 6.984 1.00 0.00 C ATOM 1093 CG2 VAL A 72 11.038 7.848 7.590 1.00 0.00 C ATOM 0 H VAL A 72 11.066 6.577 5.121 1.00 0.00 H new ATOM 0 HA VAL A 72 12.695 4.906 6.981 1.00 0.00 H new ATOM 0 HB VAL A 72 12.452 6.604 8.594 1.00 0.00 H new ATOM 0 HG11 VAL A 72 13.689 8.469 7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.318 6.884 7.042 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.286 7.829 5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.307 8.746 8.147 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.769 8.121 6.570 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.189 7.363 8.072 1.00 0.00 H new ATOM 1103 N THR A 73 9.541 5.158 6.472 1.00 0.00 N ATOM 1104 CA THR A 73 8.241 4.595 6.794 1.00 0.00 C ATOM 1105 C THR A 73 7.961 3.367 5.925 1.00 0.00 C ATOM 1106 O THR A 73 8.166 3.402 4.712 1.00 0.00 O ATOM 1107 CB THR A 73 7.195 5.701 6.639 1.00 0.00 C ATOM 1108 OG1 THR A 73 7.449 6.574 7.736 1.00 0.00 O ATOM 1109 CG2 THR A 73 5.771 5.198 6.885 1.00 0.00 C ATOM 0 H THR A 73 9.568 5.703 5.611 1.00 0.00 H new ATOM 0 HA THR A 73 8.208 4.239 7.824 1.00 0.00 H new ATOM 0 HB THR A 73 7.262 6.127 5.638 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.816 7.322 7.712 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.068 6.022 6.763 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.535 4.410 6.170 1.00 0.00 H new ATOM 0 HG23 THR A 73 5.694 4.803 7.898 1.00 0.00 H new ATOM 1117 N LEU A 74 7.498 2.312 6.578 1.00 0.00 N ATOM 1118 CA LEU A 74 7.188 1.076 5.880 1.00 0.00 C ATOM 1119 C LEU A 74 5.735 0.687 6.162 1.00 0.00 C ATOM 1120 O LEU A 74 5.249 -0.322 5.653 1.00 0.00 O ATOM 1121 CB LEU A 74 8.198 -0.013 6.244 1.00 0.00 C ATOM 1122 CG LEU A 74 9.658 0.433 6.345 1.00 0.00 C ATOM 1123 CD1 LEU A 74 10.459 -0.509 7.246 1.00 0.00 C ATOM 1124 CD2 LEU A 74 10.287 0.570 4.957 1.00 0.00 C ATOM 0 H LEU A 74 7.330 2.287 7.584 1.00 0.00 H new ATOM 0 HA LEU A 74 7.278 1.214 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.905 -0.448 7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.132 -0.806 5.499 1.00 0.00 H new ATOM 0 HG LEU A 74 9.682 1.419 6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 74 11.493 -0.169 7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.025 -0.512 8.246 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.430 -1.518 6.835 1.00 0.00 H new ATOM 0 HD21 LEU A 74 11.325 0.888 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 74 10.250 -0.391 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.735 1.311 4.379 1.00 0.00 H new ATOM 1136 N GLU A 75 5.082 1.508 6.971 1.00 0.00 N ATOM 1137 CA GLU A 75 3.695 1.262 7.327 1.00 0.00 C ATOM 1138 C GLU A 75 2.876 2.546 7.186 1.00 0.00 C ATOM 1139 O GLU A 75 3.377 3.638 7.448 1.00 0.00 O ATOM 1140 CB GLU A 75 3.585 0.693 8.743 1.00 0.00 C ATOM 1141 CG GLU A 75 4.377 1.543 9.739 1.00 0.00 C ATOM 1142 CD GLU A 75 5.635 0.810 10.207 1.00 0.00 C ATOM 1143 OE1 GLU A 75 5.494 -0.034 11.118 1.00 0.00 O ATOM 1144 OE2 GLU A 75 6.710 1.109 9.643 1.00 0.00 O ATOM 0 H GLU A 75 5.488 2.345 7.390 1.00 0.00 H new ATOM 0 HA GLU A 75 3.290 0.519 6.640 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.538 0.656 9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.957 -0.331 8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.655 2.489 9.275 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.750 1.781 10.598 1.00 0.00 H new ATOM 1151 N TYR A 76 1.629 2.372 6.773 1.00 0.00 N ATOM 1152 CA TYR A 76 0.735 3.503 6.595 1.00 0.00 C ATOM 1153 C TYR A 76 -0.701 3.133 6.974 1.00 0.00 C ATOM 1154 O TYR A 76 -1.081 1.965 6.914 1.00 0.00 O ATOM 1155 CB TYR A 76 0.783 3.848 5.105 1.00 0.00 C ATOM 1156 CG TYR A 76 -0.025 5.091 4.727 1.00 0.00 C ATOM 1157 CD1 TYR A 76 -1.375 4.983 4.462 1.00 0.00 C ATOM 1158 CD2 TYR A 76 0.597 6.321 4.652 1.00 0.00 C ATOM 1159 CE1 TYR A 76 -2.135 6.153 4.107 1.00 0.00 C ATOM 1160 CE2 TYR A 76 -0.163 7.491 4.296 1.00 0.00 C ATOM 1161 CZ TYR A 76 -1.492 7.350 4.041 1.00 0.00 C ATOM 1162 OH TYR A 76 -2.210 8.455 3.706 1.00 0.00 O ATOM 0 H TYR A 76 1.217 1.464 6.557 1.00 0.00 H new ATOM 0 HA TYR A 76 1.040 4.336 7.228 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.822 3.999 4.811 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.411 2.998 4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.861 4.021 4.521 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.653 6.406 4.860 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -3.192 6.082 3.898 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.311 8.459 4.233 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.170 8.589 2.736 1.00 0.00 H new ATOM 1172 N ARG A 77 -1.459 4.150 7.357 1.00 0.00 N ATOM 1173 CA ARG A 77 -2.844 3.947 7.746 1.00 0.00 C ATOM 1174 C ARG A 77 -3.779 4.324 6.595 1.00 0.00 C ATOM 1175 O ARG A 77 -3.754 5.456 6.115 1.00 0.00 O ATOM 1176 CB ARG A 77 -3.199 4.783 8.977 1.00 0.00 C ATOM 1177 CG ARG A 77 -4.458 4.245 9.660 1.00 0.00 C ATOM 1178 CD ARG A 77 -5.676 5.104 9.318 1.00 0.00 C ATOM 1179 NE ARG A 77 -6.306 5.607 10.560 1.00 0.00 N ATOM 1180 CZ ARG A 77 -5.733 6.492 11.387 1.00 0.00 C ATOM 1181 NH1 ARG A 77 -4.515 6.977 11.111 1.00 0.00 N ATOM 1182 NH2 ARG A 77 -6.378 6.892 12.492 1.00 0.00 N ATOM 0 H ARG A 77 -1.140 5.118 7.406 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.969 2.892 7.990 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -2.367 4.773 9.681 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.355 5.821 8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -4.635 3.216 9.347 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -4.312 4.229 10.740 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.375 5.941 8.688 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -6.396 4.518 8.747 1.00 0.00 H new ATOM 0 HE ARG A 77 -7.234 5.258 10.801 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -4.023 6.673 10.271 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -4.080 7.651 11.741 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -7.305 6.523 12.703 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -5.942 7.566 13.121 1.00 0.00 H new ATOM 1196 N VAL A 78 -4.583 3.353 6.186 1.00 0.00 N ATOM 1197 CA VAL A 78 -5.525 3.568 5.101 1.00 0.00 C ATOM 1198 C VAL A 78 -6.881 3.972 5.681 1.00 0.00 C ATOM 1199 O VAL A 78 -7.291 3.463 6.724 1.00 0.00 O ATOM 1200 CB VAL A 78 -5.600 2.321 4.217 1.00 0.00 C ATOM 1201 CG1 VAL A 78 -6.677 2.475 3.142 1.00 0.00 C ATOM 1202 CG2 VAL A 78 -4.239 2.011 3.590 1.00 0.00 C ATOM 0 H VAL A 78 -4.601 2.415 6.587 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.189 4.384 4.461 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.877 1.478 4.850 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.709 1.575 2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -7.646 2.625 3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.444 3.335 2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.320 1.120 2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.920 2.855 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.506 1.837 4.378 1.00 0.00 H new ATOM 1212 N THR A 79 -7.541 4.883 4.982 1.00 0.00 N ATOM 1213 CA THR A 79 -8.843 5.361 5.415 1.00 0.00 C ATOM 1214 C THR A 79 -9.695 5.756 4.207 1.00 0.00 C ATOM 1215 O THR A 79 -9.163 6.069 3.143 1.00 0.00 O ATOM 1216 CB THR A 79 -8.621 6.508 6.403 1.00 0.00 C ATOM 1217 OG1 THR A 79 -7.842 7.451 5.671 1.00 0.00 O ATOM 1218 CG2 THR A 79 -7.720 6.107 7.572 1.00 0.00 C ATOM 0 H THR A 79 -7.198 5.303 4.118 1.00 0.00 H new ATOM 0 HA THR A 79 -9.402 4.577 5.925 1.00 0.00 H new ATOM 0 HB THR A 79 -9.583 6.848 6.787 1.00 0.00 H new ATOM 0 HG1 THR A 79 -7.653 8.229 6.237 1.00 0.00 H new ATOM 0 HG21 THR A 79 -7.595 6.957 8.243 1.00 0.00 H new ATOM 0 HG22 THR A 79 -8.176 5.279 8.116 1.00 0.00 H new ATOM 0 HG23 THR A 79 -6.746 5.799 7.192 1.00 0.00 H new ATOM 1226 N GLY A 80 -11.004 5.730 4.412 1.00 0.00 N ATOM 1227 CA GLY A 80 -11.935 6.081 3.353 1.00 0.00 C ATOM 1228 C GLY A 80 -12.278 4.860 2.497 1.00 0.00 C ATOM 1229 O GLY A 80 -12.527 4.988 1.299 1.00 0.00 O ATOM 0 H GLY A 80 -11.442 5.471 5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.846 6.493 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.501 6.859 2.725 1.00 0.00 H new ATOM 1233 N LEU A 81 -12.280 3.705 3.145 1.00 0.00 N ATOM 1234 CA LEU A 81 -12.588 2.462 2.458 1.00 0.00 C ATOM 1235 C LEU A 81 -14.064 2.120 2.671 1.00 0.00 C ATOM 1236 O LEU A 81 -14.886 3.008 2.891 1.00 0.00 O ATOM 1237 CB LEU A 81 -11.630 1.354 2.899 1.00 0.00 C ATOM 1238 CG LEU A 81 -10.198 1.792 3.215 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -9.563 0.875 4.262 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -9.357 1.874 1.939 1.00 0.00 C ATOM 0 H LEU A 81 -12.073 3.603 4.139 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.437 2.572 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.045 0.873 3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.593 0.599 2.114 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.233 2.794 3.643 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.546 1.208 4.468 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.150 0.910 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.540 -0.147 3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.344 2.187 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.326 0.895 1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.802 2.598 1.256 1.00 0.00 H new ATOM 1252 N THR A 82 -14.356 0.829 2.598 1.00 0.00 N ATOM 1253 CA THR A 82 -15.718 0.359 2.780 1.00 0.00 C ATOM 1254 C THR A 82 -15.754 -0.796 3.783 1.00 0.00 C ATOM 1255 O THR A 82 -14.772 -1.521 3.936 1.00 0.00 O ATOM 1256 CB THR A 82 -16.277 -0.014 1.405 1.00 0.00 C ATOM 1257 OG1 THR A 82 -15.854 1.052 0.558 1.00 0.00 O ATOM 1258 CG2 THR A 82 -17.805 0.056 1.356 1.00 0.00 C ATOM 0 H THR A 82 -13.672 0.095 2.415 1.00 0.00 H new ATOM 0 HA THR A 82 -16.351 1.138 3.205 1.00 0.00 H new ATOM 0 HB THR A 82 -15.951 -1.020 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.036 0.790 0.086 1.00 0.00 H new ATOM 0 HG21 THR A 82 -18.150 -0.218 0.359 1.00 0.00 H new ATOM 0 HG22 THR A 82 -18.225 -0.635 2.088 1.00 0.00 H new ATOM 0 HG23 THR A 82 -18.130 1.070 1.587 1.00 0.00 H new ATOM 1266 N ALA A 83 -16.896 -0.931 4.441 1.00 0.00 N ATOM 1267 CA ALA A 83 -17.073 -1.985 5.425 1.00 0.00 C ATOM 1268 C ALA A 83 -17.192 -3.331 4.708 1.00 0.00 C ATOM 1269 O ALA A 83 -17.797 -3.419 3.641 1.00 0.00 O ATOM 1270 CB ALA A 83 -18.296 -1.675 6.291 1.00 0.00 C ATOM 0 H ALA A 83 -17.708 -0.328 4.312 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.210 -2.040 6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.429 -2.466 7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -18.149 -0.723 6.801 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -19.183 -1.615 5.660 1.00 0.00 H new ATOM 1276 N LEU A 84 -16.606 -4.347 5.324 1.00 0.00 N ATOM 1277 CA LEU A 84 -16.639 -5.685 4.759 1.00 0.00 C ATOM 1278 C LEU A 84 -16.464 -5.597 3.241 1.00 0.00 C ATOM 1279 O LEU A 84 -17.318 -6.058 2.486 1.00 0.00 O ATOM 1280 CB LEU A 84 -17.912 -6.418 5.189 1.00 0.00 C ATOM 1281 CG LEU A 84 -18.138 -6.540 6.697 1.00 0.00 C ATOM 1282 CD1 LEU A 84 -19.295 -7.494 7.002 1.00 0.00 C ATOM 1283 CD2 LEU A 84 -16.851 -6.952 7.413 1.00 0.00 C ATOM 0 H LEU A 84 -16.105 -4.270 6.209 1.00 0.00 H new ATOM 0 HA LEU A 84 -15.811 -6.281 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.769 -5.903 4.754 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -17.892 -7.421 4.762 1.00 0.00 H new ATOM 0 HG LEU A 84 -18.419 -5.559 7.081 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -19.435 -7.563 8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.208 -7.118 6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.067 -8.482 6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.040 -7.031 8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -16.515 -7.916 7.031 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.080 -6.203 7.235 1.00 0.00 H new ATOM 1295 N THR A 85 -15.350 -5.001 2.840 1.00 0.00 N ATOM 1296 CA THR A 85 -15.051 -4.847 1.427 1.00 0.00 C ATOM 1297 C THR A 85 -13.601 -5.243 1.142 1.00 0.00 C ATOM 1298 O THR A 85 -12.701 -4.914 1.912 1.00 0.00 O ATOM 1299 CB THR A 85 -15.376 -3.405 1.030 1.00 0.00 C ATOM 1300 OG1 THR A 85 -16.796 -3.391 0.908 1.00 0.00 O ATOM 1301 CG2 THR A 85 -14.878 -3.059 -0.375 1.00 0.00 C ATOM 0 H THR A 85 -14.644 -4.619 3.469 1.00 0.00 H new ATOM 0 HA THR A 85 -15.662 -5.513 0.818 1.00 0.00 H new ATOM 0 HB THR A 85 -14.931 -2.720 1.752 1.00 0.00 H new ATOM 0 HG1 THR A 85 -17.201 -3.401 1.800 1.00 0.00 H new ATOM 0 HG21 THR A 85 -15.134 -2.025 -0.607 1.00 0.00 H new ATOM 0 HG22 THR A 85 -13.796 -3.184 -0.418 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.349 -3.721 -1.101 1.00 0.00 H new ATOM 1309 N THR A 86 -13.421 -5.945 0.032 1.00 0.00 N ATOM 1310 CA THR A 86 -12.095 -6.390 -0.364 1.00 0.00 C ATOM 1311 C THR A 86 -11.314 -5.239 -1.000 1.00 0.00 C ATOM 1312 O THR A 86 -11.793 -4.601 -1.937 1.00 0.00 O ATOM 1313 CB THR A 86 -12.259 -7.597 -1.290 1.00 0.00 C ATOM 1314 OG1 THR A 86 -13.094 -8.488 -0.554 1.00 0.00 O ATOM 1315 CG2 THR A 86 -10.955 -8.376 -1.474 1.00 0.00 C ATOM 0 H THR A 86 -14.170 -6.216 -0.605 1.00 0.00 H new ATOM 0 HA THR A 86 -11.508 -6.701 0.500 1.00 0.00 H new ATOM 0 HB THR A 86 -12.622 -7.262 -2.262 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.253 -9.298 -1.082 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.127 -9.222 -2.140 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.198 -7.722 -1.907 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.609 -8.740 -0.507 1.00 0.00 H new ATOM 1323 N TYR A 87 -10.124 -5.007 -0.465 1.00 0.00 N ATOM 1324 CA TYR A 87 -9.272 -3.943 -0.969 1.00 0.00 C ATOM 1325 C TYR A 87 -7.845 -4.446 -1.198 1.00 0.00 C ATOM 1326 O TYR A 87 -7.371 -5.327 -0.483 1.00 0.00 O ATOM 1327 CB TYR A 87 -9.252 -2.868 0.119 1.00 0.00 C ATOM 1328 CG TYR A 87 -10.414 -1.875 0.034 1.00 0.00 C ATOM 1329 CD1 TYR A 87 -10.288 -0.730 -0.726 1.00 0.00 C ATOM 1330 CD2 TYR A 87 -11.587 -2.125 0.717 1.00 0.00 C ATOM 1331 CE1 TYR A 87 -11.381 0.204 -0.806 1.00 0.00 C ATOM 1332 CE2 TYR A 87 -12.679 -1.191 0.637 1.00 0.00 C ATOM 1333 CZ TYR A 87 -12.523 -0.072 -0.120 1.00 0.00 C ATOM 1334 OH TYR A 87 -13.555 0.810 -0.196 1.00 0.00 O ATOM 0 H TYR A 87 -9.730 -5.537 0.312 1.00 0.00 H new ATOM 0 HA TYR A 87 -9.648 -3.568 -1.921 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.272 -3.353 1.095 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -8.313 -2.319 0.056 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.370 -0.535 -1.260 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -11.685 -3.021 1.311 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -11.296 1.104 -1.397 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -13.602 -1.375 1.167 1.00 0.00 H new ATOM 0 HH TYR A 87 -13.534 1.264 -1.064 1.00 0.00 H new ATOM 1344 N THR A 88 -7.201 -3.864 -2.199 1.00 0.00 N ATOM 1345 CA THR A 88 -5.838 -4.242 -2.531 1.00 0.00 C ATOM 1346 C THR A 88 -4.893 -3.054 -2.339 1.00 0.00 C ATOM 1347 O THR A 88 -4.993 -2.055 -3.050 1.00 0.00 O ATOM 1348 CB THR A 88 -5.835 -4.795 -3.958 1.00 0.00 C ATOM 1349 OG1 THR A 88 -5.929 -6.206 -3.782 1.00 0.00 O ATOM 1350 CG2 THR A 88 -4.491 -4.596 -4.661 1.00 0.00 C ATOM 0 H THR A 88 -7.598 -3.134 -2.791 1.00 0.00 H new ATOM 0 HA THR A 88 -5.470 -5.021 -1.863 1.00 0.00 H new ATOM 0 HB THR A 88 -6.622 -4.311 -4.537 1.00 0.00 H new ATOM 0 HG1 THR A 88 -6.398 -6.601 -4.547 1.00 0.00 H new ATOM 0 HG21 THR A 88 -4.544 -5.006 -5.670 1.00 0.00 H new ATOM 0 HG22 THR A 88 -4.262 -3.532 -4.714 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.708 -5.108 -4.101 1.00 0.00 H new ATOM 1358 N ILE A 89 -3.997 -3.201 -1.374 1.00 0.00 N ATOM 1359 CA ILE A 89 -3.035 -2.153 -1.079 1.00 0.00 C ATOM 1360 C ILE A 89 -1.721 -2.456 -1.801 1.00 0.00 C ATOM 1361 O ILE A 89 -1.109 -3.499 -1.574 1.00 0.00 O ATOM 1362 CB ILE A 89 -2.880 -1.978 0.433 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -4.206 -2.233 1.153 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -2.301 -0.603 0.769 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -5.354 -1.490 0.468 1.00 0.00 C ATOM 0 H ILE A 89 -3.917 -4.031 -0.786 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.391 -1.193 -1.453 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.170 -2.723 0.792 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -4.417 -3.302 1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.128 -1.911 2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.201 -0.505 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.321 -0.497 0.303 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.967 0.174 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.285 -1.689 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.152 -0.419 0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.445 -1.832 -0.563 1.00 0.00 H new ATOM 1377 N GLU A 90 -1.324 -1.524 -2.655 1.00 0.00 N ATOM 1378 CA GLU A 90 -0.093 -1.678 -3.412 1.00 0.00 C ATOM 1379 C GLU A 90 1.005 -0.788 -2.825 1.00 0.00 C ATOM 1380 O GLU A 90 0.876 0.435 -2.811 1.00 0.00 O ATOM 1381 CB GLU A 90 -0.317 -1.368 -4.893 1.00 0.00 C ATOM 1382 CG GLU A 90 -1.490 -2.177 -5.451 1.00 0.00 C ATOM 1383 CD GLU A 90 -2.430 -1.288 -6.267 1.00 0.00 C ATOM 1384 OE1 GLU A 90 -2.014 -0.148 -6.569 1.00 0.00 O ATOM 1385 OE2 GLU A 90 -3.543 -1.768 -6.572 1.00 0.00 O ATOM 0 H GLU A 90 -1.833 -0.660 -2.840 1.00 0.00 H new ATOM 0 HA GLU A 90 0.229 -2.717 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.512 -0.303 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.588 -1.596 -5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.113 -2.986 -6.077 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.041 -2.639 -4.631 1.00 0.00 H new ATOM 1392 N VAL A 91 2.061 -1.437 -2.356 1.00 0.00 N ATOM 1393 CA VAL A 91 3.181 -0.719 -1.770 1.00 0.00 C ATOM 1394 C VAL A 91 4.367 -0.760 -2.735 1.00 0.00 C ATOM 1395 O VAL A 91 4.892 -1.831 -3.034 1.00 0.00 O ATOM 1396 CB VAL A 91 3.510 -1.298 -0.393 1.00 0.00 C ATOM 1397 CG1 VAL A 91 4.734 -0.609 0.213 1.00 0.00 C ATOM 1398 CG2 VAL A 91 2.305 -1.199 0.545 1.00 0.00 C ATOM 0 H VAL A 91 2.165 -2.452 -2.370 1.00 0.00 H new ATOM 0 HA VAL A 91 2.925 0.329 -1.614 1.00 0.00 H new ATOM 0 HB VAL A 91 3.749 -2.354 -0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.946 -1.039 1.192 1.00 0.00 H new ATOM 0 HG12 VAL A 91 5.594 -0.753 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 91 4.535 0.457 0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.565 -1.618 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 91 2.022 -0.153 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.468 -1.756 0.123 1.00 0.00 H new ATOM 1408 N ALA A 92 4.756 0.420 -3.195 1.00 0.00 N ATOM 1409 CA ALA A 92 5.871 0.533 -4.119 1.00 0.00 C ATOM 1410 C ALA A 92 6.999 1.328 -3.457 1.00 0.00 C ATOM 1411 O ALA A 92 6.766 2.058 -2.495 1.00 0.00 O ATOM 1412 CB ALA A 92 5.392 1.176 -5.422 1.00 0.00 C ATOM 0 H ALA A 92 4.318 1.307 -2.945 1.00 0.00 H new ATOM 0 HA ALA A 92 6.264 -0.453 -4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.229 1.261 -6.115 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.613 0.558 -5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.993 2.168 -5.213 1.00 0.00 H new ATOM 1418 N ALA A 93 8.196 1.159 -3.999 1.00 0.00 N ATOM 1419 CA ALA A 93 9.360 1.851 -3.473 1.00 0.00 C ATOM 1420 C ALA A 93 9.828 2.896 -4.487 1.00 0.00 C ATOM 1421 O ALA A 93 9.707 2.692 -5.694 1.00 0.00 O ATOM 1422 CB ALA A 93 10.452 0.833 -3.138 1.00 0.00 C ATOM 0 H ALA A 93 8.385 0.553 -4.797 1.00 0.00 H new ATOM 0 HA ALA A 93 9.110 2.375 -2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.325 1.353 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 93 10.079 0.132 -2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.731 0.288 -4.040 1.00 0.00 H new ATOM 1428 N MET A 94 10.354 3.992 -3.961 1.00 0.00 N ATOM 1429 CA MET A 94 10.841 5.069 -4.805 1.00 0.00 C ATOM 1430 C MET A 94 12.311 5.374 -4.511 1.00 0.00 C ATOM 1431 O MET A 94 12.690 5.567 -3.357 1.00 0.00 O ATOM 1432 CB MET A 94 10.001 6.326 -4.567 1.00 0.00 C ATOM 1433 CG MET A 94 8.545 6.098 -4.978 1.00 0.00 C ATOM 1434 SD MET A 94 7.601 7.593 -4.736 1.00 0.00 S ATOM 1435 CE MET A 94 7.347 7.517 -2.971 1.00 0.00 C ATOM 0 H MET A 94 10.454 4.157 -2.959 1.00 0.00 H new ATOM 0 HA MET A 94 10.755 4.756 -5.846 1.00 0.00 H new ATOM 0 HB2 MET A 94 10.046 6.604 -3.514 1.00 0.00 H new ATOM 0 HB3 MET A 94 10.417 7.159 -5.135 1.00 0.00 H new ATOM 0 HG2 MET A 94 8.497 5.793 -6.023 1.00 0.00 H new ATOM 0 HG3 MET A 94 8.115 5.287 -4.390 1.00 0.00 H new ATOM 0 HE1 MET A 94 6.291 7.344 -2.762 1.00 0.00 H new ATOM 0 HE2 MET A 94 7.937 6.702 -2.553 1.00 0.00 H new ATOM 0 HE3 MET A 94 7.657 8.459 -2.518 1.00 0.00 H new ATOM 1445 N THR A 95 13.099 5.409 -5.576 1.00 0.00 N ATOM 1446 CA THR A 95 14.520 5.688 -5.446 1.00 0.00 C ATOM 1447 C THR A 95 14.892 6.941 -6.241 1.00 0.00 C ATOM 1448 O THR A 95 14.017 7.695 -6.663 1.00 0.00 O ATOM 1449 CB THR A 95 15.288 4.440 -5.885 1.00 0.00 C ATOM 1450 OG1 THR A 95 14.573 3.975 -7.027 1.00 0.00 O ATOM 1451 CG2 THR A 95 15.167 3.293 -4.879 1.00 0.00 C ATOM 0 H THR A 95 12.781 5.249 -6.532 1.00 0.00 H new ATOM 0 HA THR A 95 14.788 5.906 -4.412 1.00 0.00 H new ATOM 0 HB THR A 95 16.339 4.692 -6.024 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.208 3.667 -7.707 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.730 2.432 -5.239 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.566 3.610 -3.916 1.00 0.00 H new ATOM 0 HG23 THR A 95 14.118 3.018 -4.765 1.00 0.00 H new ATOM 1459 N SER A 96 16.192 7.125 -6.420 1.00 0.00 N ATOM 1460 CA SER A 96 16.690 8.274 -7.156 1.00 0.00 C ATOM 1461 C SER A 96 16.284 8.169 -8.627 1.00 0.00 C ATOM 1462 O SER A 96 16.274 9.169 -9.345 1.00 0.00 O ATOM 1463 CB SER A 96 18.211 8.390 -7.032 1.00 0.00 C ATOM 1464 OG SER A 96 18.884 7.795 -8.139 1.00 0.00 O ATOM 0 H SER A 96 16.915 6.498 -6.068 1.00 0.00 H new ATOM 0 HA SER A 96 16.248 9.173 -6.727 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.490 9.441 -6.961 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.537 7.910 -6.109 1.00 0.00 H new ATOM 0 HG SER A 96 19.852 7.891 -8.023 1.00 0.00 H new ATOM 1470 N LYS A 97 15.959 6.951 -9.033 1.00 0.00 N ATOM 1471 CA LYS A 97 15.553 6.703 -10.406 1.00 0.00 C ATOM 1472 C LYS A 97 14.050 6.955 -10.542 1.00 0.00 C ATOM 1473 O LYS A 97 13.620 7.713 -11.410 1.00 0.00 O ATOM 1474 CB LYS A 97 15.984 5.303 -10.848 1.00 0.00 C ATOM 1475 CG LYS A 97 17.493 5.246 -11.093 1.00 0.00 C ATOM 1476 CD LYS A 97 17.822 5.542 -12.558 1.00 0.00 C ATOM 1477 CE LYS A 97 17.419 6.969 -12.934 1.00 0.00 C ATOM 1478 NZ LYS A 97 18.054 7.369 -14.209 1.00 0.00 N ATOM 0 H LYS A 97 15.968 6.125 -8.435 1.00 0.00 H new ATOM 0 HA LYS A 97 16.055 7.394 -11.082 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.708 4.576 -10.084 1.00 0.00 H new ATOM 0 HB3 LYS A 97 15.453 5.026 -11.759 1.00 0.00 H new ATOM 0 HG2 LYS A 97 17.997 5.968 -10.450 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.872 4.260 -10.823 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.890 5.405 -12.729 1.00 0.00 H new ATOM 0 HD3 LYS A 97 17.302 4.832 -13.202 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.335 7.035 -13.025 1.00 0.00 H new ATOM 0 HE3 LYS A 97 17.715 7.657 -12.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.769 8.340 -14.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 19.088 7.326 -14.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.751 6.723 -14.965 1.00 0.00 H new ATOM 1492 N GLY A 98 13.292 6.304 -9.672 1.00 0.00 N ATOM 1493 CA GLY A 98 11.846 6.448 -9.684 1.00 0.00 C ATOM 1494 C GLY A 98 11.179 5.357 -8.844 1.00 0.00 C ATOM 1495 O GLY A 98 11.655 5.027 -7.758 1.00 0.00 O ATOM 0 H GLY A 98 13.652 5.675 -8.954 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.572 7.429 -9.296 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.480 6.397 -10.710 1.00 0.00 H new ATOM 1499 N GLN A 99 10.088 4.828 -9.377 1.00 0.00 N ATOM 1500 CA GLN A 99 9.351 3.781 -8.690 1.00 0.00 C ATOM 1501 C GLN A 99 9.629 2.423 -9.338 1.00 0.00 C ATOM 1502 O GLN A 99 9.763 2.329 -10.557 1.00 0.00 O ATOM 1503 CB GLN A 99 7.852 4.085 -8.675 1.00 0.00 C ATOM 1504 CG GLN A 99 7.094 3.065 -7.824 1.00 0.00 C ATOM 1505 CD GLN A 99 5.725 2.752 -8.432 1.00 0.00 C ATOM 1506 OE1 GLN A 99 4.701 3.028 -7.630 1.00 0.00 O flip ATOM 1507 NE2 GLN A 99 5.607 2.290 -9.555 1.00 0.00 N flip ATOM 0 H GLN A 99 9.696 5.105 -10.277 1.00 0.00 H new ATOM 0 HA GLN A 99 9.691 3.744 -7.655 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.685 5.088 -8.282 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.465 4.073 -9.694 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.678 2.148 -7.743 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.967 3.452 -6.813 1.00 0.00 H new ATOM 0 HE21 GLN A 99 6.436 2.101 -10.119 1.00 0.00 H new ATOM 0 HE22 GLN A 99 4.679 2.092 -9.930 1.00 0.00 H new ATOM 1516 N GLY A 100 9.706 1.405 -8.494 1.00 0.00 N ATOM 1517 CA GLY A 100 9.966 0.057 -8.970 1.00 0.00 C ATOM 1518 C GLY A 100 8.758 -0.852 -8.727 1.00 0.00 C ATOM 1519 O GLY A 100 7.632 -0.373 -8.604 1.00 0.00 O ATOM 0 H GLY A 100 9.593 1.486 -7.484 1.00 0.00 H new ATOM 0 HA2 GLY A 100 10.199 0.082 -10.035 1.00 0.00 H new ATOM 0 HA3 GLY A 100 10.840 -0.350 -8.462 1.00 0.00 H new ATOM 1523 N GLN A 101 9.035 -2.146 -8.666 1.00 0.00 N ATOM 1524 CA GLN A 101 7.986 -3.126 -8.441 1.00 0.00 C ATOM 1525 C GLN A 101 7.043 -2.648 -7.334 1.00 0.00 C ATOM 1526 O GLN A 101 7.350 -1.694 -6.621 1.00 0.00 O ATOM 1527 CB GLN A 101 8.578 -4.495 -8.103 1.00 0.00 C ATOM 1528 CG GLN A 101 7.692 -5.622 -8.638 1.00 0.00 C ATOM 1529 CD GLN A 101 8.538 -6.797 -9.132 1.00 0.00 C ATOM 1530 OE1 GLN A 101 8.102 -7.987 -8.727 1.00 0.00 O flip ATOM 1531 NE2 GLN A 101 9.522 -6.635 -9.836 1.00 0.00 N flip ATOM 0 H GLN A 101 9.971 -2.539 -8.768 1.00 0.00 H new ATOM 0 HA GLN A 101 7.411 -3.233 -9.361 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.577 -4.579 -8.530 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.684 -4.593 -7.023 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.015 -5.961 -7.854 1.00 0.00 H new ATOM 0 HG3 GLN A 101 7.073 -5.247 -9.453 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.803 -5.694 -10.111 1.00 0.00 H new ATOM 0 HE22 GLN A 101 10.063 -7.441 -10.149 1.00 0.00 H new ATOM 1540 N VAL A 102 5.914 -3.334 -7.226 1.00 0.00 N ATOM 1541 CA VAL A 102 4.925 -2.992 -6.218 1.00 0.00 C ATOM 1542 C VAL A 102 4.349 -4.276 -5.619 1.00 0.00 C ATOM 1543 O VAL A 102 4.261 -5.298 -6.299 1.00 0.00 O ATOM 1544 CB VAL A 102 3.854 -2.083 -6.824 1.00 0.00 C ATOM 1545 CG1 VAL A 102 2.665 -2.900 -7.334 1.00 0.00 C ATOM 1546 CG2 VAL A 102 3.400 -1.024 -5.817 1.00 0.00 C ATOM 0 H VAL A 102 5.663 -4.124 -7.820 1.00 0.00 H new ATOM 0 HA VAL A 102 5.386 -2.432 -5.405 1.00 0.00 H new ATOM 0 HB VAL A 102 4.296 -1.567 -7.677 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.919 -2.229 -7.760 1.00 0.00 H new ATOM 0 HG12 VAL A 102 3.005 -3.598 -8.099 1.00 0.00 H new ATOM 0 HG13 VAL A 102 2.224 -3.456 -6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.639 -0.391 -6.273 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.985 -1.514 -4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.253 -0.412 -5.524 1.00 0.00 H new ATOM 1556 N SER A 103 3.972 -4.183 -4.352 1.00 0.00 N ATOM 1557 CA SER A 103 3.407 -5.325 -3.653 1.00 0.00 C ATOM 1558 C SER A 103 1.935 -5.062 -3.326 1.00 0.00 C ATOM 1559 O SER A 103 1.626 -4.340 -2.380 1.00 0.00 O ATOM 1560 CB SER A 103 4.189 -5.630 -2.374 1.00 0.00 C ATOM 1561 OG SER A 103 5.269 -6.529 -2.611 1.00 0.00 O ATOM 0 H SER A 103 4.047 -3.334 -3.791 1.00 0.00 H new ATOM 0 HA SER A 103 3.478 -6.195 -4.306 1.00 0.00 H new ATOM 0 HB2 SER A 103 4.576 -4.701 -1.955 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.516 -6.059 -1.631 1.00 0.00 H new ATOM 0 HG SER A 103 5.745 -6.698 -1.771 1.00 0.00 H new ATOM 1567 N ALA A 104 1.068 -5.663 -4.127 1.00 0.00 N ATOM 1568 CA ALA A 104 -0.364 -5.503 -3.934 1.00 0.00 C ATOM 1569 C ALA A 104 -0.921 -6.743 -3.231 1.00 0.00 C ATOM 1570 O ALA A 104 -0.863 -7.846 -3.772 1.00 0.00 O ATOM 1571 CB ALA A 104 -1.035 -5.248 -5.285 1.00 0.00 C ATOM 0 H ALA A 104 1.329 -6.261 -4.911 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.572 -4.642 -3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -2.109 -5.128 -5.141 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.625 -4.341 -5.730 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.850 -6.093 -5.948 1.00 0.00 H new ATOM 1577 N SER A 105 -1.447 -6.519 -2.036 1.00 0.00 N ATOM 1578 CA SER A 105 -2.014 -7.604 -1.253 1.00 0.00 C ATOM 1579 C SER A 105 -3.501 -7.347 -1.002 1.00 0.00 C ATOM 1580 O SER A 105 -3.884 -6.256 -0.584 1.00 0.00 O ATOM 1581 CB SER A 105 -1.273 -7.771 0.074 1.00 0.00 C ATOM 1582 OG SER A 105 -0.644 -9.046 0.178 1.00 0.00 O ATOM 0 H SER A 105 -1.493 -5.602 -1.591 1.00 0.00 H new ATOM 0 HA SER A 105 -1.902 -8.529 -1.819 1.00 0.00 H new ATOM 0 HB2 SER A 105 -0.522 -6.987 0.171 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.974 -7.644 0.899 1.00 0.00 H new ATOM 0 HG SER A 105 -0.180 -9.113 1.039 1.00 0.00 H new ATOM 1588 N THR A 106 -4.300 -8.371 -1.269 1.00 0.00 N ATOM 1589 CA THR A 106 -5.736 -8.269 -1.077 1.00 0.00 C ATOM 1590 C THR A 106 -6.084 -8.366 0.410 1.00 0.00 C ATOM 1591 O THR A 106 -5.666 -9.302 1.089 1.00 0.00 O ATOM 1592 CB THR A 106 -6.405 -9.349 -1.929 1.00 0.00 C ATOM 1593 OG1 THR A 106 -5.464 -9.603 -2.969 1.00 0.00 O ATOM 1594 CG2 THR A 106 -7.643 -8.832 -2.665 1.00 0.00 C ATOM 0 H THR A 106 -3.979 -9.275 -1.617 1.00 0.00 H new ATOM 0 HA THR A 106 -6.110 -7.299 -1.403 1.00 0.00 H new ATOM 0 HB THR A 106 -6.685 -10.190 -1.294 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.817 -10.294 -3.568 1.00 0.00 H new ATOM 0 HG21 THR A 106 -8.079 -9.638 -3.255 1.00 0.00 H new ATOM 0 HG22 THR A 106 -8.375 -8.476 -1.940 1.00 0.00 H new ATOM 0 HG23 THR A 106 -7.358 -8.013 -3.325 1.00 0.00 H new ATOM 1602 N ILE A 107 -6.846 -7.386 0.872 1.00 0.00 N ATOM 1603 CA ILE A 107 -7.255 -7.349 2.266 1.00 0.00 C ATOM 1604 C ILE A 107 -8.680 -6.801 2.361 1.00 0.00 C ATOM 1605 O ILE A 107 -8.978 -5.738 1.819 1.00 0.00 O ATOM 1606 CB ILE A 107 -6.239 -6.568 3.102 1.00 0.00 C ATOM 1607 CG1 ILE A 107 -6.643 -6.547 4.577 1.00 0.00 C ATOM 1608 CG2 ILE A 107 -6.038 -5.158 2.543 1.00 0.00 C ATOM 1609 CD1 ILE A 107 -6.206 -7.832 5.284 1.00 0.00 C ATOM 0 H ILE A 107 -7.191 -6.611 0.306 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.272 -8.355 2.685 1.00 0.00 H new ATOM 0 HB ILE A 107 -5.279 -7.080 3.039 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -6.192 -5.685 5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -7.724 -6.432 4.660 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -5.311 -4.624 3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -5.672 -5.222 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -6.987 -4.622 2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -6.506 -7.791 6.331 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -6.678 -8.690 4.805 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -5.122 -7.932 5.220 1.00 0.00 H new ATOM 1621 N SER A 108 -9.524 -7.553 3.052 1.00 0.00 N ATOM 1622 CA SER A 108 -10.911 -7.156 3.225 1.00 0.00 C ATOM 1623 C SER A 108 -11.104 -6.510 4.599 1.00 0.00 C ATOM 1624 O SER A 108 -10.769 -7.106 5.621 1.00 0.00 O ATOM 1625 CB SER A 108 -11.851 -8.353 3.065 1.00 0.00 C ATOM 1626 OG SER A 108 -13.201 -7.948 2.858 1.00 0.00 O ATOM 0 H SER A 108 -9.274 -8.435 3.499 1.00 0.00 H new ATOM 0 HA SER A 108 -11.157 -6.429 2.451 1.00 0.00 H new ATOM 0 HB2 SER A 108 -11.522 -8.962 2.223 1.00 0.00 H new ATOM 0 HB3 SER A 108 -11.793 -8.981 3.954 1.00 0.00 H new ATOM 0 HG SER A 108 -13.769 -8.741 2.759 1.00 0.00 H new ATOM 1632 N SER A 109 -11.643 -5.300 4.578 1.00 0.00 N ATOM 1633 CA SER A 109 -11.884 -4.567 5.809 1.00 0.00 C ATOM 1634 C SER A 109 -12.386 -5.520 6.895 1.00 0.00 C ATOM 1635 O SER A 109 -13.003 -6.540 6.594 1.00 0.00 O ATOM 1636 CB SER A 109 -12.890 -3.436 5.588 1.00 0.00 C ATOM 1637 OG SER A 109 -14.161 -3.926 5.169 1.00 0.00 O ATOM 0 H SER A 109 -11.920 -4.809 3.728 1.00 0.00 H new ATOM 0 HA SER A 109 -10.943 -4.122 6.132 1.00 0.00 H new ATOM 0 HB2 SER A 109 -13.007 -2.869 6.512 1.00 0.00 H new ATOM 0 HB3 SER A 109 -12.502 -2.747 4.838 1.00 0.00 H new ATOM 0 HG SER A 109 -14.600 -3.256 4.604 1.00 0.00 H new ATOM 1643 N GLY A 110 -12.103 -5.153 8.137 1.00 0.00 N ATOM 1644 CA GLY A 110 -12.518 -5.962 9.270 1.00 0.00 C ATOM 1645 C GLY A 110 -14.044 -6.008 9.381 1.00 0.00 C ATOM 1646 O GLY A 110 -14.683 -6.905 8.834 1.00 0.00 O ATOM 0 H GLY A 110 -11.591 -4.306 8.383 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.127 -6.974 9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.095 -5.553 10.188 1.00 0.00 H new ATOM 1650 N VAL A 111 -14.583 -5.029 10.092 1.00 0.00 N ATOM 1651 CA VAL A 111 -16.021 -4.947 10.282 1.00 0.00 C ATOM 1652 C VAL A 111 -16.353 -3.692 11.093 1.00 0.00 C ATOM 1653 O VAL A 111 -15.623 -3.333 12.015 1.00 0.00 O ATOM 1654 CB VAL A 111 -16.538 -6.232 10.931 1.00 0.00 C ATOM 1655 CG1 VAL A 111 -15.841 -6.489 12.269 1.00 0.00 C ATOM 1656 CG2 VAL A 111 -18.057 -6.186 11.104 1.00 0.00 C ATOM 0 H VAL A 111 -14.050 -4.286 10.543 1.00 0.00 H new ATOM 0 HA VAL A 111 -16.528 -4.858 9.321 1.00 0.00 H new ATOM 0 HB VAL A 111 -16.302 -7.062 10.265 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -16.227 -7.408 12.710 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.768 -6.587 12.107 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -16.032 -5.655 12.945 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -18.399 -7.112 11.567 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -18.325 -5.342 11.739 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -18.531 -6.072 10.129 1.00 0.00 H new ATOM 1666 N PRO A 112 -17.485 -3.043 10.709 1.00 0.00 N ATOM 1667 CA PRO A 112 -17.923 -1.836 11.390 1.00 0.00 C ATOM 1668 C PRO A 112 -18.533 -2.167 12.753 1.00 0.00 C ATOM 1669 O PRO A 112 -19.442 -2.990 12.848 1.00 0.00 O ATOM 1670 CB PRO A 112 -18.913 -1.185 10.438 1.00 0.00 C ATOM 1671 CG PRO A 112 -19.343 -2.277 9.473 1.00 0.00 C ATOM 1672 CD PRO A 112 -18.374 -3.439 9.621 1.00 0.00 C ATOM 0 HA PRO A 112 -17.101 -1.157 11.614 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.769 -0.783 10.980 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -18.453 -0.352 9.906 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -20.361 -2.599 9.691 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.339 -1.904 8.449 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -18.899 -4.365 9.856 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -17.819 -3.612 8.699 1.00 0.00 H new ATOM 1680 N PRO A 113 -17.995 -1.490 13.803 1.00 0.00 N ATOM 1681 CA PRO A 113 -18.477 -1.703 15.157 1.00 0.00 C ATOM 1682 C PRO A 113 -19.832 -1.025 15.370 1.00 0.00 C ATOM 1683 O PRO A 113 -20.524 -0.699 14.408 1.00 0.00 O ATOM 1684 CB PRO A 113 -17.385 -1.145 16.056 1.00 0.00 C ATOM 1685 CG PRO A 113 -16.552 -0.226 15.178 1.00 0.00 C ATOM 1686 CD PRO A 113 -16.917 -0.507 13.729 1.00 0.00 C ATOM 0 HA PRO A 113 -18.658 -2.755 15.378 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -17.812 -0.600 16.897 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -16.775 -1.946 16.473 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -16.747 0.818 15.425 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -15.489 -0.400 15.344 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -17.242 0.400 13.219 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -16.064 -0.896 13.174 1.00 0.00 H new