USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1001 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 114 MET CE :methyl -159:sc= -0.939 (180deg=-1.78) USER MOD Set 1.2: A 118 GLN :FLIP amide:sc= 0.0853 F(o=-2.6,f=-0.85) USER MOD Set 2.1: A 73 GLN : amide:sc= 0.899 K(o=1.8,f=-0.0063) USER MOD Set 2.2: A 75 SER OG : rot 110:sc= 0.856 USER MOD Set 3.1: A 55 CYS SG : rot 60:sc= 0.173 USER MOD Set 3.2: A 84 GLN : amide:sc= -0.172 K(o=0.001,f=-1.5!) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.485 F(o=-1.4,f=-0.48) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot -100:sc= 1.18 USER MOD Single : A 28 THR OG1 : rot 84:sc= 1.1 USER MOD Single : A 29 GLN : amide:sc= -3.2 K(o=-3.2,f=-4.6!) USER MOD Single : A 30 CYS SG : rot 81:sc= 0.2 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.881! C(o=-0.88!,f=-6.2!) USER MOD Single : A 43 ASN : amide:sc= -6.93! C(o=-6.9!,f=-13!) USER MOD Single : A 45 GLN : amide:sc= -3.29 K(o=-3.3,f=-4.4!) USER MOD Single : A 46 ASN : amide:sc= 0.322 X(o=0.32,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -175:sc= -0.0372 (180deg=-0.0728) USER MOD Single : A 52 THR OG1 : rot -22:sc= 0.455 USER MOD Single : A 59 ASN : amide:sc= -6.98! C(o=-7!,f=-9.5!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -4.75! C(o=-4.7!,f=-9.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -1.68 K(o=-1.7,f=-6.2!) USER MOD Single : A 82 MET CE :methyl -134:sc= -5.27! (180deg=-10.5!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0016 X(o=-0.0016,f=-0.15) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot -90:sc= -2.38 USER MOD Single : A 98 ASN : amide:sc= -0.412 K(o=-0.41,f=-4.7!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -41:sc= 0.0166 USER MOD Single : A 104 GLN :FLIP amide:sc= -0.745 F(o=-1.6!,f=-0.75) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 ASN : amide:sc= 0.0469 K(o=0.047,f=-1.9!) USER MOD Single : A 116 CYS SG : rot 178:sc= -1.32 USER MOD Single : A 120 THR OG1 : rot 110:sc= -0.435 USER MOD Single : A 122 MET CE :methyl -142:sc= -1.07 (180deg=-3.58!) USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD ----------------------------------------------------------------- ATOM 221 N ASP A 17 -15.717 -2.750 -6.810 1.00 0.00 N ATOM 222 CA ASP A 17 -15.976 -3.548 -5.617 1.00 0.00 C ATOM 223 C ASP A 17 -14.783 -3.510 -4.667 1.00 0.00 C ATOM 224 O ASP A 17 -14.945 -3.363 -3.455 1.00 0.00 O ATOM 225 CB ASP A 17 -16.291 -4.994 -6.004 1.00 0.00 C ATOM 226 CG ASP A 17 -17.766 -5.213 -6.276 1.00 0.00 C ATOM 227 OD1 ASP A 17 -18.586 -4.899 -5.388 1.00 0.00 O ATOM 228 OD2 ASP A 17 -18.101 -5.698 -7.377 1.00 0.00 O ATOM 0 HA ASP A 17 -16.838 -3.121 -5.104 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.717 -5.263 -6.891 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -15.970 -5.660 -5.203 1.00 0.00 H new ATOM 233 N LEU A 18 -13.585 -3.646 -5.225 1.00 0.00 N ATOM 234 CA LEU A 18 -12.363 -3.628 -4.428 1.00 0.00 C ATOM 235 C LEU A 18 -12.015 -2.207 -3.996 1.00 0.00 C ATOM 236 O LEU A 18 -11.579 -1.981 -2.868 1.00 0.00 O ATOM 237 CB LEU A 18 -11.204 -4.230 -5.223 1.00 0.00 C ATOM 238 CG LEU A 18 -11.332 -5.712 -5.580 1.00 0.00 C ATOM 239 CD1 LEU A 18 -10.247 -6.120 -6.563 1.00 0.00 C ATOM 240 CD2 LEU A 18 -11.268 -6.570 -4.325 1.00 0.00 C ATOM 0 H LEU A 18 -13.434 -3.770 -6.226 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.533 -4.228 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.090 -3.663 -6.147 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.287 -4.093 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.301 -5.869 -6.055 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.354 -7.177 -6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.340 -5.528 -7.474 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.268 -5.948 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.361 -7.621 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.315 -6.408 -3.822 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.083 -6.296 -3.655 1.00 0.00 H new ATOM 252 N GLU A 19 -12.213 -1.254 -4.902 1.00 0.00 N ATOM 253 CA GLU A 19 -11.921 0.145 -4.613 1.00 0.00 C ATOM 254 C GLU A 19 -12.584 0.582 -3.310 1.00 0.00 C ATOM 255 O GLU A 19 -11.907 0.959 -2.353 1.00 0.00 O ATOM 256 CB GLU A 19 -12.395 1.036 -5.763 1.00 0.00 C ATOM 257 CG GLU A 19 -12.124 2.515 -5.539 1.00 0.00 C ATOM 258 CD GLU A 19 -12.344 3.344 -6.789 1.00 0.00 C ATOM 259 OE1 GLU A 19 -13.517 3.549 -7.166 1.00 0.00 O ATOM 260 OE2 GLU A 19 -11.343 3.787 -7.391 1.00 0.00 O ATOM 0 H GLU A 19 -12.574 -1.425 -5.841 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.841 0.249 -4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.903 0.720 -6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.465 0.889 -5.908 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.773 2.883 -4.744 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.097 2.645 -5.198 1.00 0.00 H new ATOM 267 N GLN A 20 -13.912 0.528 -3.281 1.00 0.00 N ATOM 268 CA GLN A 20 -14.666 0.919 -2.097 1.00 0.00 C ATOM 269 C GLN A 20 -14.024 0.359 -0.832 1.00 0.00 C ATOM 270 O GLN A 20 -13.909 1.054 0.178 1.00 0.00 O ATOM 271 CB GLN A 20 -16.113 0.434 -2.205 1.00 0.00 C ATOM 272 CG GLN A 20 -16.237 -1.028 -2.602 1.00 0.00 C ATOM 273 CD GLN A 20 -17.679 -1.479 -2.724 1.00 0.00 C ATOM 274 OE1 GLN A 20 -18.166 -1.581 -3.955 1.00 0.00 O flip ATOM 275 NE2 GLN A 20 -18.349 -1.734 -1.722 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.487 0.217 -4.064 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.658 2.007 -2.036 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.610 0.585 -1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.639 1.047 -2.937 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.729 -1.187 -3.553 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.728 -1.646 -1.862 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.935 -1.642 -0.794 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.318 -2.037 -1.820 1.00 0.00 H new ATOM 284 N ILE A 21 -13.606 -0.901 -0.895 1.00 0.00 N ATOM 285 CA ILE A 21 -12.974 -1.554 0.245 1.00 0.00 C ATOM 286 C ILE A 21 -11.612 -0.938 0.545 1.00 0.00 C ATOM 287 O ILE A 21 -11.217 -0.813 1.705 1.00 0.00 O ATOM 288 CB ILE A 21 -12.799 -3.065 0.003 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.137 -3.699 -0.384 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.227 -3.737 1.242 1.00 0.00 C ATOM 291 CD1 ILE A 21 -14.043 -5.183 -0.664 1.00 0.00 C ATOM 0 H ILE A 21 -13.694 -1.490 -1.723 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.634 -1.405 1.100 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.099 -3.208 -0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -14.854 -3.534 0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.527 -3.194 -1.268 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.109 -4.804 1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.256 -3.300 1.477 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -12.905 -3.588 2.082 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.028 -5.566 -0.932 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.350 -5.355 -1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.683 -5.699 0.226 1.00 0.00 H new ATOM 303 N LEU A 22 -10.898 -0.553 -0.507 1.00 0.00 N ATOM 304 CA LEU A 22 -9.579 0.053 -0.356 1.00 0.00 C ATOM 305 C LEU A 22 -9.665 1.354 0.436 1.00 0.00 C ATOM 306 O LEU A 22 -8.945 1.543 1.417 1.00 0.00 O ATOM 307 CB LEU A 22 -8.959 0.318 -1.729 1.00 0.00 C ATOM 308 CG LEU A 22 -8.442 -0.909 -2.481 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.952 -0.519 -3.867 1.00 0.00 C ATOM 310 CD2 LEU A 22 -7.333 -1.590 -1.693 1.00 0.00 C ATOM 0 H LEU A 22 -11.210 -0.649 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.946 -0.644 0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.704 0.814 -2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.132 1.017 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.265 -1.615 -2.595 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.588 -1.405 -4.387 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.773 -0.078 -4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.143 0.206 -3.776 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.977 -2.461 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.509 -0.892 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.717 -1.906 -0.723 1.00 0.00 H new ATOM 322 N ILE A 23 -10.550 2.246 0.004 1.00 0.00 N ATOM 323 CA ILE A 23 -10.731 3.527 0.675 1.00 0.00 C ATOM 324 C ILE A 23 -11.180 3.333 2.120 1.00 0.00 C ATOM 325 O ILE A 23 -10.677 3.991 3.030 1.00 0.00 O ATOM 326 CB ILE A 23 -11.763 4.405 -0.057 1.00 0.00 C ATOM 327 CG1 ILE A 23 -11.306 4.678 -1.492 1.00 0.00 C ATOM 328 CG2 ILE A 23 -11.975 5.711 0.694 1.00 0.00 C ATOM 329 CD1 ILE A 23 -12.358 5.353 -2.343 1.00 0.00 C ATOM 0 H ILE A 23 -11.152 2.105 -0.807 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.764 4.029 0.662 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.712 3.871 -0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.414 5.304 -1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.022 3.735 -1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.707 6.321 0.164 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.339 5.498 1.699 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.031 6.252 0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.965 5.515 -3.347 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.243 4.719 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.625 6.312 -1.899 1.00 0.00 H new ATOM 341 N GLN A 24 -12.128 2.423 2.321 1.00 0.00 N ATOM 342 CA GLN A 24 -12.644 2.141 3.656 1.00 0.00 C ATOM 343 C GLN A 24 -11.530 1.661 4.580 1.00 0.00 C ATOM 344 O GLN A 24 -11.438 2.089 5.731 1.00 0.00 O ATOM 345 CB GLN A 24 -13.752 1.089 3.585 1.00 0.00 C ATOM 346 CG GLN A 24 -15.124 1.670 3.280 1.00 0.00 C ATOM 347 CD GLN A 24 -16.235 0.649 3.426 1.00 0.00 C ATOM 348 OE1 GLN A 24 -16.911 0.592 4.454 1.00 0.00 O ATOM 349 NE2 GLN A 24 -16.431 -0.165 2.395 1.00 0.00 N ATOM 0 H GLN A 24 -12.554 1.869 1.578 1.00 0.00 H new ATOM 0 HA GLN A 24 -13.055 3.065 4.062 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.498 0.357 2.818 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.796 0.555 4.534 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.316 2.509 3.949 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -15.130 2.065 2.264 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.848 -0.083 1.562 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -17.165 -0.872 2.436 1.00 0.00 H new ATOM 358 N TRP A 25 -10.686 0.772 4.069 1.00 0.00 N ATOM 359 CA TRP A 25 -9.578 0.234 4.850 1.00 0.00 C ATOM 360 C TRP A 25 -8.498 1.289 5.061 1.00 0.00 C ATOM 361 O TRP A 25 -8.211 1.679 6.193 1.00 0.00 O ATOM 362 CB TRP A 25 -8.982 -0.990 4.152 1.00 0.00 C ATOM 363 CG TRP A 25 -7.753 -1.519 4.826 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.618 -1.845 6.146 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.485 -1.780 4.214 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.342 -2.294 6.391 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.628 -2.264 5.222 1.00 0.00 C ATOM 368 CE3 TRP A 25 -5.991 -1.655 2.913 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.306 -2.620 4.967 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.679 -2.008 2.662 1.00 0.00 C ATOM 371 CH2 TRP A 25 -3.849 -2.487 3.684 1.00 0.00 C ATOM 0 H TRP A 25 -10.748 0.409 3.118 1.00 0.00 H new ATOM 0 HA TRP A 25 -9.964 -0.064 5.825 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.734 -1.778 4.112 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -8.739 -0.729 3.122 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.399 -1.762 6.888 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -5.985 -2.600 7.296 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.623 -1.289 2.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.664 -2.988 5.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.286 -1.913 1.660 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.829 -2.757 3.455 1.00 0.00 H new ATOM 382 N ILE A 26 -7.903 1.749 3.965 1.00 0.00 N ATOM 383 CA ILE A 26 -6.856 2.760 4.031 1.00 0.00 C ATOM 384 C ILE A 26 -7.180 3.819 5.080 1.00 0.00 C ATOM 385 O ILE A 26 -6.340 4.162 5.913 1.00 0.00 O ATOM 386 CB ILE A 26 -6.651 3.449 2.669 1.00 0.00 C ATOM 387 CG1 ILE A 26 -6.192 2.431 1.622 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.641 4.580 2.794 1.00 0.00 C ATOM 389 CD1 ILE A 26 -6.411 2.889 0.198 1.00 0.00 C ATOM 0 H ILE A 26 -8.129 1.437 3.021 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.937 2.244 4.310 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.602 3.872 2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.132 2.223 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.726 1.494 1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.507 5.057 1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.005 5.315 3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.687 4.179 3.136 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.063 2.118 -0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.473 3.069 0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.855 3.810 0.022 1.00 0.00 H new ATOM 401 N THR A 27 -8.405 4.333 5.035 1.00 0.00 N ATOM 402 CA THR A 27 -8.841 5.352 5.981 1.00 0.00 C ATOM 403 C THR A 27 -8.892 4.799 7.400 1.00 0.00 C ATOM 404 O THR A 27 -8.550 5.490 8.360 1.00 0.00 O ATOM 405 CB THR A 27 -10.229 5.907 5.608 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.156 4.830 5.431 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.157 6.735 4.334 1.00 0.00 C ATOM 0 H THR A 27 -9.113 4.060 4.353 1.00 0.00 H new ATOM 0 HA THR A 27 -8.110 6.160 5.935 1.00 0.00 H new ATOM 0 HB THR A 27 -10.569 6.549 6.421 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.267 4.648 4.475 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.149 7.116 4.091 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.473 7.571 4.482 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.797 6.112 3.515 1.00 0.00 H new ATOM 415 N THR A 28 -9.321 3.547 7.528 1.00 0.00 N ATOM 416 CA THR A 28 -9.417 2.901 8.831 1.00 0.00 C ATOM 417 C THR A 28 -8.034 2.606 9.401 1.00 0.00 C ATOM 418 O THR A 28 -7.641 3.169 10.422 1.00 0.00 O ATOM 419 CB THR A 28 -10.217 1.588 8.749 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.596 1.870 8.485 1.00 0.00 O ATOM 421 CG2 THR A 28 -10.095 0.798 10.043 1.00 0.00 C ATOM 0 H THR A 28 -9.608 2.960 6.744 1.00 0.00 H new ATOM 0 HA THR A 28 -9.938 3.595 9.491 1.00 0.00 H new ATOM 0 HB THR A 28 -9.807 0.989 7.936 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.728 1.984 7.521 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.668 -0.125 9.961 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.047 0.559 10.226 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.482 1.393 10.870 1.00 0.00 H new ATOM 429 N GLN A 29 -7.301 1.720 8.734 1.00 0.00 N ATOM 430 CA GLN A 29 -5.962 1.350 9.176 1.00 0.00 C ATOM 431 C GLN A 29 -5.186 2.576 9.647 1.00 0.00 C ATOM 432 O GLN A 29 -4.663 2.602 10.762 1.00 0.00 O ATOM 433 CB GLN A 29 -5.202 0.655 8.045 1.00 0.00 C ATOM 434 CG GLN A 29 -3.785 0.255 8.421 1.00 0.00 C ATOM 435 CD GLN A 29 -3.700 -0.367 9.800 1.00 0.00 C ATOM 436 OE1 GLN A 29 -3.795 0.326 10.814 1.00 0.00 O ATOM 437 NE2 GLN A 29 -3.520 -1.682 9.847 1.00 0.00 N ATOM 0 H GLN A 29 -7.612 1.246 7.886 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.061 0.661 10.015 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.753 -0.235 7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.166 1.319 7.181 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.404 -0.452 7.684 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.141 1.134 8.383 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.447 -2.218 8.982 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.455 -2.156 10.748 1.00 0.00 H new ATOM 446 N CYS A 30 -5.116 3.590 8.791 1.00 0.00 N ATOM 447 CA CYS A 30 -4.403 4.820 9.119 1.00 0.00 C ATOM 448 C CYS A 30 -4.726 5.273 10.539 1.00 0.00 C ATOM 449 O CYS A 30 -5.799 4.979 11.067 1.00 0.00 O ATOM 450 CB CYS A 30 -4.764 5.924 8.124 1.00 0.00 C ATOM 451 SG CYS A 30 -4.038 5.704 6.483 1.00 0.00 S ATOM 0 H CYS A 30 -5.544 3.585 7.865 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.334 4.619 9.055 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.849 5.970 8.027 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.439 6.883 8.528 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.747 4.850 5.806 1.00 0.00 H new ATOM 457 N ARG A 31 -3.790 5.989 11.154 1.00 0.00 N ATOM 458 CA ARG A 31 -3.973 6.480 12.514 1.00 0.00 C ATOM 459 C ARG A 31 -4.494 7.915 12.508 1.00 0.00 C ATOM 460 O ARG A 31 -5.349 8.280 13.316 1.00 0.00 O ATOM 461 CB ARG A 31 -2.655 6.408 13.287 1.00 0.00 C ATOM 462 CG ARG A 31 -1.550 7.263 12.688 1.00 0.00 C ATOM 463 CD ARG A 31 -0.213 6.998 13.363 1.00 0.00 C ATOM 464 NE ARG A 31 0.773 8.027 13.046 1.00 0.00 N ATOM 465 CZ ARG A 31 1.847 8.268 13.789 1.00 0.00 C ATOM 466 NH1 ARG A 31 2.073 7.557 14.885 1.00 0.00 N ATOM 467 NH2 ARG A 31 2.699 9.222 13.436 1.00 0.00 N ATOM 0 H ARG A 31 -2.897 6.242 10.731 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.710 5.846 13.007 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.829 6.723 14.316 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.321 5.371 13.323 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.467 7.057 11.621 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.808 8.317 12.790 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.355 6.952 14.443 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.165 6.025 13.049 1.00 0.00 H new ATOM 0 HE ARG A 31 0.629 8.591 12.209 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.421 6.822 15.160 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.899 7.745 15.453 1.00 0.00 H new ATOM 0 HH21 ARG A 31 2.529 9.771 12.593 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.524 9.406 14.007 1.00 0.00 H new ATOM 481 N LYS A 32 -3.974 8.724 11.592 1.00 0.00 N ATOM 482 CA LYS A 32 -4.386 10.118 11.479 1.00 0.00 C ATOM 483 C LYS A 32 -5.354 10.307 10.316 1.00 0.00 C ATOM 484 O LYS A 32 -5.219 9.667 9.273 1.00 0.00 O ATOM 485 CB LYS A 32 -3.163 11.019 11.290 1.00 0.00 C ATOM 486 CG LYS A 32 -2.573 10.958 9.892 1.00 0.00 C ATOM 487 CD LYS A 32 -3.186 12.010 8.982 1.00 0.00 C ATOM 488 CE LYS A 32 -2.701 13.406 9.338 1.00 0.00 C ATOM 489 NZ LYS A 32 -2.872 14.359 8.206 1.00 0.00 N ATOM 0 H LYS A 32 -3.266 8.438 10.916 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.896 10.396 12.402 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.443 12.049 11.513 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.397 10.734 12.011 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.494 11.105 9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.740 9.968 9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.932 11.789 7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.273 11.971 9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.250 13.771 10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.649 13.364 9.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.530 15.299 8.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.327 14.025 7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.879 14.419 7.952 1.00 0.00 H new ATOM 503 N ASP A 33 -6.329 11.190 10.501 1.00 0.00 N ATOM 504 CA ASP A 33 -7.319 11.465 9.466 1.00 0.00 C ATOM 505 C ASP A 33 -6.665 12.109 8.247 1.00 0.00 C ATOM 506 O ASP A 33 -6.512 13.329 8.184 1.00 0.00 O ATOM 507 CB ASP A 33 -8.419 12.376 10.011 1.00 0.00 C ATOM 508 CG ASP A 33 -7.863 13.564 10.771 1.00 0.00 C ATOM 509 OD1 ASP A 33 -7.549 14.587 10.126 1.00 0.00 O ATOM 510 OD2 ASP A 33 -7.743 13.473 12.010 1.00 0.00 O ATOM 0 H ASP A 33 -6.455 11.728 11.358 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.762 10.517 9.161 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.034 12.733 9.185 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.071 11.801 10.668 1.00 0.00 H new ATOM 515 N VAL A 34 -6.281 11.281 7.281 1.00 0.00 N ATOM 516 CA VAL A 34 -5.644 11.769 6.064 1.00 0.00 C ATOM 517 C VAL A 34 -6.586 12.672 5.275 1.00 0.00 C ATOM 518 O VAL A 34 -6.155 13.635 4.642 1.00 0.00 O ATOM 519 CB VAL A 34 -5.191 10.606 5.162 1.00 0.00 C ATOM 520 CG1 VAL A 34 -4.111 9.785 5.850 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.377 9.732 4.784 1.00 0.00 C ATOM 0 H VAL A 34 -6.400 10.269 7.318 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.769 12.342 6.373 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.769 11.022 4.247 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.804 8.968 5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.252 10.421 6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.502 9.377 6.782 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.039 8.915 4.146 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.830 9.323 5.687 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.113 10.330 4.247 1.00 0.00 H new ATOM 531 N GLY A 35 -7.876 12.354 5.318 1.00 0.00 N ATOM 532 CA GLY A 35 -8.860 13.147 4.603 1.00 0.00 C ATOM 533 C GLY A 35 -9.632 12.332 3.584 1.00 0.00 C ATOM 534 O GLY A 35 -9.443 12.495 2.378 1.00 0.00 O ATOM 0 H GLY A 35 -8.258 11.562 5.835 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.557 13.585 5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.359 13.973 4.099 1.00 0.00 H new ATOM 538 N ARG A 36 -10.502 11.452 4.069 1.00 0.00 N ATOM 539 CA ARG A 36 -11.302 10.607 3.191 1.00 0.00 C ATOM 540 C ARG A 36 -11.953 11.433 2.086 1.00 0.00 C ATOM 541 O ARG A 36 -12.914 12.170 2.311 1.00 0.00 O ATOM 542 CB ARG A 36 -12.378 9.874 3.995 1.00 0.00 C ATOM 543 CG ARG A 36 -13.019 8.719 3.244 1.00 0.00 C ATOM 544 CD ARG A 36 -13.751 7.779 4.188 1.00 0.00 C ATOM 545 NE ARG A 36 -14.868 7.104 3.532 1.00 0.00 N ATOM 546 CZ ARG A 36 -16.012 7.705 3.225 1.00 0.00 C ATOM 547 NH1 ARG A 36 -16.190 8.987 3.514 1.00 0.00 N ATOM 548 NH2 ARG A 36 -16.982 7.024 2.628 1.00 0.00 N ATOM 0 H ARG A 36 -10.671 11.306 5.064 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.639 9.874 2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.936 9.496 4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.153 10.585 4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.717 9.108 2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.252 8.167 2.701 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.053 7.035 4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.121 8.342 5.045 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.764 6.117 3.297 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.447 9.514 3.973 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.070 9.446 3.277 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.850 6.038 2.404 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.860 7.487 2.393 1.00 0.00 H new ATOM 562 N PRO A 37 -11.419 11.311 0.862 1.00 0.00 N ATOM 563 CA PRO A 37 -11.932 12.039 -0.303 1.00 0.00 C ATOM 564 C PRO A 37 -13.302 11.535 -0.744 1.00 0.00 C ATOM 565 O PRO A 37 -13.978 10.821 -0.004 1.00 0.00 O ATOM 566 CB PRO A 37 -10.885 11.759 -1.385 1.00 0.00 C ATOM 567 CG PRO A 37 -10.261 10.468 -0.983 1.00 0.00 C ATOM 568 CD PRO A 37 -10.272 10.452 0.520 1.00 0.00 C ATOM 0 HA PRO A 37 -12.074 13.099 -0.092 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.344 11.687 -2.371 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.145 12.558 -1.436 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.819 9.623 -1.386 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.244 10.390 -1.366 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.396 9.442 0.910 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.341 10.841 0.933 1.00 0.00 H new ATOM 576 N GLN A 38 -13.704 11.911 -1.953 1.00 0.00 N ATOM 577 CA GLN A 38 -14.994 11.496 -2.492 1.00 0.00 C ATOM 578 C GLN A 38 -14.922 10.078 -3.047 1.00 0.00 C ATOM 579 O GLN A 38 -13.899 9.644 -3.577 1.00 0.00 O ATOM 580 CB GLN A 38 -15.448 12.463 -3.587 1.00 0.00 C ATOM 581 CG GLN A 38 -14.465 12.579 -4.741 1.00 0.00 C ATOM 582 CD GLN A 38 -13.415 13.647 -4.509 1.00 0.00 C ATOM 583 OE1 GLN A 38 -13.238 14.126 -3.389 1.00 0.00 O ATOM 584 NE2 GLN A 38 -12.711 14.026 -5.570 1.00 0.00 N ATOM 0 H GLN A 38 -13.156 12.502 -2.578 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.720 11.511 -1.679 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.413 12.134 -3.974 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -15.600 13.450 -3.149 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.973 11.618 -4.892 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -15.011 12.805 -5.657 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.891 13.602 -6.480 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -11.990 14.741 -5.475 1.00 0.00 H new ATOM 593 N PRO A 39 -16.033 9.336 -2.923 1.00 0.00 N ATOM 594 CA PRO A 39 -16.121 7.955 -3.407 1.00 0.00 C ATOM 595 C PRO A 39 -16.118 7.873 -4.929 1.00 0.00 C ATOM 596 O PRO A 39 -17.101 8.220 -5.582 1.00 0.00 O ATOM 597 CB PRO A 39 -17.460 7.468 -2.848 1.00 0.00 C ATOM 598 CG PRO A 39 -18.267 8.707 -2.665 1.00 0.00 C ATOM 599 CD PRO A 39 -17.289 9.789 -2.302 1.00 0.00 C ATOM 0 HA PRO A 39 -15.267 7.356 -3.089 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.947 6.776 -3.535 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.326 6.940 -1.904 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.807 8.959 -3.578 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -19.012 8.575 -1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.601 10.759 -2.689 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.188 9.894 -1.222 1.00 0.00 H new ATOM 607 N GLY A 40 -15.004 7.411 -5.490 1.00 0.00 N ATOM 608 CA GLY A 40 -14.895 7.291 -6.933 1.00 0.00 C ATOM 609 C GLY A 40 -13.576 6.681 -7.365 1.00 0.00 C ATOM 610 O GLY A 40 -12.944 5.948 -6.604 1.00 0.00 O ATOM 0 H GLY A 40 -14.176 7.118 -4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.715 6.678 -7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.002 8.277 -7.386 1.00 0.00 H new ATOM 614 N ARG A 41 -13.161 6.982 -8.591 1.00 0.00 N ATOM 615 CA ARG A 41 -11.910 6.455 -9.125 1.00 0.00 C ATOM 616 C ARG A 41 -10.915 7.581 -9.388 1.00 0.00 C ATOM 617 O ARG A 41 -9.781 7.544 -8.911 1.00 0.00 O ATOM 618 CB ARG A 41 -12.170 5.677 -10.416 1.00 0.00 C ATOM 619 CG ARG A 41 -13.220 4.588 -10.271 1.00 0.00 C ATOM 620 CD ARG A 41 -14.624 5.140 -10.463 1.00 0.00 C ATOM 621 NE ARG A 41 -15.597 4.081 -10.722 1.00 0.00 N ATOM 622 CZ ARG A 41 -15.605 3.346 -11.828 1.00 0.00 C ATOM 623 NH1 ARG A 41 -14.698 3.552 -12.773 1.00 0.00 N ATOM 624 NH2 ARG A 41 -16.523 2.401 -11.991 1.00 0.00 N ATOM 0 H ARG A 41 -13.672 7.588 -9.233 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.482 5.781 -8.383 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.486 6.374 -11.192 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.236 5.227 -10.753 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.034 3.802 -11.002 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.139 4.132 -9.284 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.920 5.695 -9.573 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.626 5.845 -11.294 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.309 3.896 -10.015 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.991 4.277 -12.652 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.707 2.985 -13.621 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.223 2.239 -11.267 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.529 1.837 -12.841 1.00 0.00 H new ATOM 638 N GLU A 42 -11.347 8.581 -10.151 1.00 0.00 N ATOM 639 CA GLU A 42 -10.493 9.716 -10.478 1.00 0.00 C ATOM 640 C GLU A 42 -9.913 10.343 -9.213 1.00 0.00 C ATOM 641 O GLU A 42 -8.799 10.864 -9.221 1.00 0.00 O ATOM 642 CB GLU A 42 -11.280 10.765 -11.266 1.00 0.00 C ATOM 643 CG GLU A 42 -11.551 10.368 -12.707 1.00 0.00 C ATOM 644 CD GLU A 42 -11.800 11.564 -13.605 1.00 0.00 C ATOM 645 OE1 GLU A 42 -11.016 12.532 -13.536 1.00 0.00 O ATOM 646 OE2 GLU A 42 -12.781 11.530 -14.378 1.00 0.00 O ATOM 0 H GLU A 42 -12.283 8.627 -10.554 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.670 9.353 -11.093 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.230 10.947 -10.764 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.728 11.705 -11.255 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.702 9.802 -13.090 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.417 9.706 -12.741 1.00 0.00 H new ATOM 653 N ASN A 43 -10.679 10.289 -8.128 1.00 0.00 N ATOM 654 CA ASN A 43 -10.243 10.852 -6.856 1.00 0.00 C ATOM 655 C ASN A 43 -9.158 9.987 -6.221 1.00 0.00 C ATOM 656 O ASN A 43 -8.064 10.466 -5.919 1.00 0.00 O ATOM 657 CB ASN A 43 -11.429 10.984 -5.899 1.00 0.00 C ATOM 658 CG ASN A 43 -12.234 9.703 -5.795 1.00 0.00 C ATOM 659 OD1 ASN A 43 -13.180 9.487 -6.552 1.00 0.00 O ATOM 660 ND2 ASN A 43 -11.859 8.844 -4.853 1.00 0.00 N ATOM 0 H ASN A 43 -11.605 9.861 -8.105 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.828 11.841 -7.049 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.065 11.262 -4.910 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.078 11.791 -6.239 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.362 7.964 -4.736 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.068 9.064 -4.247 1.00 0.00 H new ATOM 667 N PHE A 44 -9.467 8.710 -6.023 1.00 0.00 N ATOM 668 CA PHE A 44 -8.519 7.778 -5.425 1.00 0.00 C ATOM 669 C PHE A 44 -7.098 8.068 -5.898 1.00 0.00 C ATOM 670 O PHE A 44 -6.205 8.328 -5.092 1.00 0.00 O ATOM 671 CB PHE A 44 -8.900 6.337 -5.771 1.00 0.00 C ATOM 672 CG PHE A 44 -8.297 5.318 -4.847 1.00 0.00 C ATOM 673 CD1 PHE A 44 -7.048 4.779 -5.109 1.00 0.00 C ATOM 674 CD2 PHE A 44 -8.979 4.901 -3.716 1.00 0.00 C ATOM 675 CE1 PHE A 44 -6.491 3.841 -4.260 1.00 0.00 C ATOM 676 CE2 PHE A 44 -8.427 3.963 -2.863 1.00 0.00 C ATOM 677 CZ PHE A 44 -7.181 3.433 -3.135 1.00 0.00 C ATOM 0 H PHE A 44 -10.367 8.297 -6.268 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.556 7.906 -4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.985 6.241 -5.746 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.584 6.122 -6.792 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.503 5.095 -5.986 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -9.953 5.313 -3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.517 3.427 -4.476 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.970 3.645 -1.985 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.747 2.701 -2.470 1.00 0.00 H new ATOM 687 N GLN A 45 -6.897 8.021 -7.211 1.00 0.00 N ATOM 688 CA GLN A 45 -5.585 8.278 -7.792 1.00 0.00 C ATOM 689 C GLN A 45 -4.950 9.521 -7.177 1.00 0.00 C ATOM 690 O GLN A 45 -3.809 9.485 -6.719 1.00 0.00 O ATOM 691 CB GLN A 45 -5.699 8.446 -9.308 1.00 0.00 C ATOM 692 CG GLN A 45 -4.369 8.326 -10.036 1.00 0.00 C ATOM 693 CD GLN A 45 -3.648 9.654 -10.157 1.00 0.00 C ATOM 694 OE1 GLN A 45 -2.958 10.085 -9.232 1.00 0.00 O ATOM 695 NE2 GLN A 45 -3.803 10.310 -11.301 1.00 0.00 N ATOM 0 H GLN A 45 -7.626 7.807 -7.892 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.946 7.422 -7.575 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.386 7.695 -9.698 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.136 9.421 -9.525 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.732 7.618 -9.506 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.540 7.918 -11.032 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.384 9.915 -12.041 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.341 11.209 -11.440 1.00 0.00 H new ATOM 704 N ASN A 46 -5.699 10.619 -7.170 1.00 0.00 N ATOM 705 CA ASN A 46 -5.209 11.875 -6.612 1.00 0.00 C ATOM 706 C ASN A 46 -4.984 11.750 -5.108 1.00 0.00 C ATOM 707 O ASN A 46 -4.096 12.392 -4.548 1.00 0.00 O ATOM 708 CB ASN A 46 -6.199 13.005 -6.899 1.00 0.00 C ATOM 709 CG ASN A 46 -6.076 13.536 -8.314 1.00 0.00 C ATOM 710 OD1 ASN A 46 -5.098 14.201 -8.656 1.00 0.00 O ATOM 711 ND2 ASN A 46 -7.070 13.245 -9.144 1.00 0.00 N ATOM 0 H ASN A 46 -6.647 10.665 -7.544 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.256 12.108 -7.086 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.215 12.645 -6.736 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.032 13.818 -6.193 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.042 13.576 -10.108 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.861 12.691 -8.817 1.00 0.00 H new ATOM 718 N TRP A 47 -5.794 10.919 -4.462 1.00 0.00 N ATOM 719 CA TRP A 47 -5.683 10.710 -3.022 1.00 0.00 C ATOM 720 C TRP A 47 -4.303 10.175 -2.655 1.00 0.00 C ATOM 721 O TRP A 47 -3.717 10.580 -1.650 1.00 0.00 O ATOM 722 CB TRP A 47 -6.764 9.740 -2.543 1.00 0.00 C ATOM 723 CG TRP A 47 -6.901 9.694 -1.051 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.696 10.723 -0.177 1.00 0.00 C ATOM 725 CD2 TRP A 47 -7.272 8.560 -0.259 1.00 0.00 C ATOM 726 NE1 TRP A 47 -6.917 10.297 1.111 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.273 8.974 1.087 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.606 7.236 -0.556 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.593 8.111 2.131 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -7.923 6.380 0.481 1.00 0.00 C ATOM 731 CH2 TRP A 47 -7.916 6.820 1.812 1.00 0.00 C ATOM 0 H TRP A 47 -6.534 10.379 -4.911 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.822 11.671 -2.528 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.720 10.028 -2.980 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.534 8.740 -2.911 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.403 11.724 -0.457 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.830 10.872 1.949 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.616 6.888 -1.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.587 8.448 3.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -8.181 5.354 0.263 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -8.170 6.127 2.600 1.00 0.00 H new ATOM 742 N LEU A 48 -3.789 9.265 -3.474 1.00 0.00 N ATOM 743 CA LEU A 48 -2.476 8.675 -3.235 1.00 0.00 C ATOM 744 C LEU A 48 -1.397 9.408 -4.025 1.00 0.00 C ATOM 745 O LEU A 48 -0.207 9.284 -3.734 1.00 0.00 O ATOM 746 CB LEU A 48 -2.484 7.193 -3.615 1.00 0.00 C ATOM 747 CG LEU A 48 -3.812 6.459 -3.426 1.00 0.00 C ATOM 748 CD1 LEU A 48 -3.755 5.079 -4.062 1.00 0.00 C ATOM 749 CD2 LEU A 48 -4.156 6.351 -1.947 1.00 0.00 C ATOM 0 H LEU A 48 -4.261 8.919 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.250 8.771 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.189 7.105 -4.661 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.723 6.683 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.595 7.033 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.709 4.572 -3.917 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.555 5.178 -5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.960 4.496 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.104 5.826 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.370 5.800 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.240 7.350 -1.519 1.00 0.00 H new ATOM 761 N LYS A 49 -1.821 10.175 -5.024 1.00 0.00 N ATOM 762 CA LYS A 49 -0.892 10.932 -5.854 1.00 0.00 C ATOM 763 C LYS A 49 0.092 11.717 -4.993 1.00 0.00 C ATOM 764 O LYS A 49 1.248 11.908 -5.372 1.00 0.00 O ATOM 765 CB LYS A 49 -1.659 11.889 -6.771 1.00 0.00 C ATOM 766 CG LYS A 49 -0.797 12.996 -7.352 1.00 0.00 C ATOM 767 CD LYS A 49 -0.768 14.214 -6.444 1.00 0.00 C ATOM 768 CE LYS A 49 0.508 15.020 -6.633 1.00 0.00 C ATOM 769 NZ LYS A 49 0.360 16.417 -6.140 1.00 0.00 N ATOM 0 H LYS A 49 -2.802 10.289 -5.278 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.330 10.225 -6.464 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.103 11.319 -7.587 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.480 12.336 -6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.218 12.628 -7.501 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.180 13.280 -8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.632 14.845 -6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.848 13.896 -5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.327 14.533 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.775 15.034 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.220 16.957 -6.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.458 16.863 -6.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.214 16.408 -5.110 1.00 0.00 H new ATOM 783 N ASP A 50 -0.372 12.168 -3.833 1.00 0.00 N ATOM 784 CA ASP A 50 0.469 12.929 -2.917 1.00 0.00 C ATOM 785 C ASP A 50 1.442 12.012 -2.183 1.00 0.00 C ATOM 786 O ASP A 50 2.539 12.425 -1.810 1.00 0.00 O ATOM 787 CB ASP A 50 -0.395 13.688 -1.908 1.00 0.00 C ATOM 788 CG ASP A 50 -1.579 12.870 -1.430 1.00 0.00 C ATOM 789 OD1 ASP A 50 -1.358 11.833 -0.772 1.00 0.00 O ATOM 790 OD2 ASP A 50 -2.728 13.269 -1.714 1.00 0.00 O ATOM 0 H ASP A 50 -1.326 12.020 -3.505 1.00 0.00 H new ATOM 0 HA ASP A 50 1.045 13.646 -3.503 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.216 13.972 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.754 14.611 -2.363 1.00 0.00 H new ATOM 795 N GLY A 51 1.031 10.764 -1.978 1.00 0.00 N ATOM 796 CA GLY A 51 1.878 9.808 -1.288 1.00 0.00 C ATOM 797 C GLY A 51 1.674 9.830 0.214 1.00 0.00 C ATOM 798 O GLY A 51 1.720 8.789 0.870 1.00 0.00 O ATOM 0 H GLY A 51 0.127 10.398 -2.277 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.672 8.806 -1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.922 10.024 -1.513 1.00 0.00 H new ATOM 802 N THR A 52 1.447 11.020 0.762 1.00 0.00 N ATOM 803 CA THR A 52 1.238 11.174 2.196 1.00 0.00 C ATOM 804 C THR A 52 0.348 10.065 2.743 1.00 0.00 C ATOM 805 O THR A 52 0.637 9.483 3.789 1.00 0.00 O ATOM 806 CB THR A 52 0.602 12.538 2.527 1.00 0.00 C ATOM 807 OG1 THR A 52 -0.553 12.751 1.709 1.00 0.00 O ATOM 808 CG2 THR A 52 1.599 13.667 2.311 1.00 0.00 C ATOM 0 H THR A 52 1.403 11.891 0.234 1.00 0.00 H new ATOM 0 HA THR A 52 2.219 11.115 2.667 1.00 0.00 H new ATOM 0 HB THR A 52 0.307 12.532 3.576 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.495 12.189 0.908 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.127 14.620 2.551 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.464 13.517 2.957 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.921 13.674 1.270 1.00 0.00 H new ATOM 816 N VAL A 53 -0.736 9.775 2.030 1.00 0.00 N ATOM 817 CA VAL A 53 -1.667 8.733 2.445 1.00 0.00 C ATOM 818 C VAL A 53 -0.987 7.369 2.479 1.00 0.00 C ATOM 819 O VAL A 53 -1.052 6.655 3.480 1.00 0.00 O ATOM 820 CB VAL A 53 -2.886 8.663 1.505 1.00 0.00 C ATOM 821 CG1 VAL A 53 -3.714 7.421 1.795 1.00 0.00 C ATOM 822 CG2 VAL A 53 -3.731 9.920 1.635 1.00 0.00 C ATOM 0 H VAL A 53 -0.991 10.247 1.162 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.005 8.992 3.448 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.527 8.599 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.570 7.389 1.121 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.101 6.532 1.645 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.065 7.450 2.827 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.588 9.854 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.082 10.018 2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.131 10.791 1.372 1.00 0.00 H new ATOM 832 N LEU A 54 -0.333 7.012 1.379 1.00 0.00 N ATOM 833 CA LEU A 54 0.361 5.733 1.282 1.00 0.00 C ATOM 834 C LEU A 54 1.282 5.521 2.479 1.00 0.00 C ATOM 835 O LEU A 54 1.415 4.405 2.982 1.00 0.00 O ATOM 836 CB LEU A 54 1.169 5.666 -0.015 1.00 0.00 C ATOM 837 CG LEU A 54 0.357 5.610 -1.310 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.170 6.154 -2.474 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.097 4.185 -1.593 1.00 0.00 C ATOM 0 H LEU A 54 -0.269 7.591 0.542 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.388 4.941 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.823 6.537 -0.057 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.811 4.786 0.026 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.528 6.235 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.576 6.106 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.444 7.190 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.073 5.557 -2.597 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.673 4.164 -2.518 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.775 3.539 -1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.718 3.831 -0.770 1.00 0.00 H new ATOM 851 N CYS A 55 1.913 6.599 2.932 1.00 0.00 N ATOM 852 CA CYS A 55 2.820 6.532 4.072 1.00 0.00 C ATOM 853 C CYS A 55 2.069 6.148 5.343 1.00 0.00 C ATOM 854 O CYS A 55 2.483 5.247 6.071 1.00 0.00 O ATOM 855 CB CYS A 55 3.526 7.874 4.268 1.00 0.00 C ATOM 856 SG CYS A 55 4.288 8.534 2.766 1.00 0.00 S ATOM 0 H CYS A 55 1.813 7.530 2.527 1.00 0.00 H new ATOM 0 HA CYS A 55 3.566 5.764 3.867 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.806 8.599 4.646 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.295 7.760 5.032 1.00 0.00 H new ATOM 0 HG CYS A 55 3.376 8.706 1.856 1.00 0.00 H new ATOM 862 N GLU A 56 0.964 6.840 5.602 1.00 0.00 N ATOM 863 CA GLU A 56 0.157 6.572 6.787 1.00 0.00 C ATOM 864 C GLU A 56 -0.276 5.109 6.832 1.00 0.00 C ATOM 865 O GLU A 56 -0.482 4.543 7.906 1.00 0.00 O ATOM 866 CB GLU A 56 -1.075 7.480 6.808 1.00 0.00 C ATOM 867 CG GLU A 56 -0.789 8.881 7.323 1.00 0.00 C ATOM 868 CD GLU A 56 -0.065 8.877 8.655 1.00 0.00 C ATOM 869 OE1 GLU A 56 -0.364 7.997 9.489 1.00 0.00 O ATOM 870 OE2 GLU A 56 0.800 9.753 8.864 1.00 0.00 O ATOM 0 H GLU A 56 0.608 7.589 5.009 1.00 0.00 H new ATOM 0 HA GLU A 56 0.768 6.779 7.665 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.483 7.549 5.799 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.843 7.022 7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.188 9.418 6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.728 9.425 7.426 1.00 0.00 H new ATOM 877 N LEU A 57 -0.412 4.503 5.658 1.00 0.00 N ATOM 878 CA LEU A 57 -0.821 3.106 5.561 1.00 0.00 C ATOM 879 C LEU A 57 0.261 2.183 6.111 1.00 0.00 C ATOM 880 O LEU A 57 0.098 1.582 7.173 1.00 0.00 O ATOM 881 CB LEU A 57 -1.127 2.743 4.107 1.00 0.00 C ATOM 882 CG LEU A 57 -1.652 1.327 3.865 1.00 0.00 C ATOM 883 CD1 LEU A 57 -2.926 1.087 4.661 1.00 0.00 C ATOM 884 CD2 LEU A 57 -1.898 1.096 2.381 1.00 0.00 C ATOM 0 H LEU A 57 -0.245 4.957 4.760 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.723 2.975 6.159 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.861 3.452 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.218 2.877 3.521 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.897 0.617 4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.285 0.075 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.720 1.211 5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.688 1.804 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.271 0.083 2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.634 1.813 2.018 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.965 1.226 1.833 1.00 0.00 H new ATOM 896 N ILE A 58 1.368 2.077 5.382 1.00 0.00 N ATOM 897 CA ILE A 58 2.478 1.230 5.799 1.00 0.00 C ATOM 898 C ILE A 58 2.923 1.565 7.218 1.00 0.00 C ATOM 899 O ILE A 58 3.299 0.681 7.987 1.00 0.00 O ATOM 900 CB ILE A 58 3.682 1.372 4.848 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.727 0.296 5.151 1.00 0.00 C ATOM 902 CG2 ILE A 58 4.292 2.760 4.970 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.484 -1.005 4.419 1.00 0.00 C ATOM 0 H ILE A 58 1.519 2.567 4.500 1.00 0.00 H new ATOM 0 HA ILE A 58 2.119 0.201 5.767 1.00 0.00 H new ATOM 0 HB ILE A 58 3.336 1.238 3.823 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.714 0.674 4.885 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.738 0.103 6.224 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.141 2.845 4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.545 3.510 4.711 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.628 2.921 5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.263 -1.721 4.681 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.511 -1.406 4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.503 -0.827 3.344 1.00 0.00 H new ATOM 915 N ASN A 59 2.876 2.849 7.559 1.00 0.00 N ATOM 916 CA ASN A 59 3.273 3.302 8.888 1.00 0.00 C ATOM 917 C ASN A 59 2.337 2.743 9.955 1.00 0.00 C ATOM 918 O ASN A 59 2.776 2.358 11.039 1.00 0.00 O ATOM 919 CB ASN A 59 3.277 4.831 8.948 1.00 0.00 C ATOM 920 CG ASN A 59 4.565 5.427 8.413 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.660 4.990 8.771 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.440 6.429 7.552 1.00 0.00 N ATOM 0 H ASN A 59 2.567 3.594 6.934 1.00 0.00 H new ATOM 0 HA ASN A 59 4.280 2.934 9.084 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.435 5.217 8.373 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.132 5.152 9.980 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.271 6.870 7.158 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.513 6.758 7.284 1.00 0.00 H new ATOM 929 N ALA A 60 1.047 2.701 9.640 1.00 0.00 N ATOM 930 CA ALA A 60 0.050 2.186 10.571 1.00 0.00 C ATOM 931 C ALA A 60 0.400 0.773 11.024 1.00 0.00 C ATOM 932 O ALA A 60 0.559 0.515 12.218 1.00 0.00 O ATOM 933 CB ALA A 60 -1.331 2.211 9.932 1.00 0.00 C ATOM 0 H ALA A 60 0.667 3.017 8.748 1.00 0.00 H new ATOM 0 HA ALA A 60 0.043 2.830 11.451 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.066 1.824 10.638 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.590 3.236 9.664 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.328 1.592 9.035 1.00 0.00 H new ATOM 939 N LEU A 61 0.518 -0.139 10.066 1.00 0.00 N ATOM 940 CA LEU A 61 0.848 -1.527 10.367 1.00 0.00 C ATOM 941 C LEU A 61 2.072 -1.611 11.274 1.00 0.00 C ATOM 942 O LEU A 61 2.026 -2.226 12.340 1.00 0.00 O ATOM 943 CB LEU A 61 1.104 -2.303 9.073 1.00 0.00 C ATOM 944 CG LEU A 61 0.008 -2.215 8.010 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.602 -2.368 6.618 1.00 0.00 C ATOM 946 CD2 LEU A 61 -1.059 -3.272 8.256 1.00 0.00 C ATOM 0 H LEU A 61 0.390 0.058 9.073 1.00 0.00 H new ATOM 0 HA LEU A 61 0.000 -1.972 10.889 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.036 -1.944 8.636 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.254 -3.353 9.326 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.460 -1.233 8.077 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.192 -2.303 5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.329 -1.575 6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.096 -3.336 6.538 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.831 -3.195 7.490 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.606 -4.263 8.216 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.505 -3.117 9.238 1.00 0.00 H new ATOM 958 N TYR A 62 3.164 -0.989 10.844 1.00 0.00 N ATOM 959 CA TYR A 62 4.400 -0.993 11.617 1.00 0.00 C ATOM 960 C TYR A 62 4.202 -0.306 12.965 1.00 0.00 C ATOM 961 O TYR A 62 3.489 0.690 13.084 1.00 0.00 O ATOM 962 CB TYR A 62 5.517 -0.298 10.837 1.00 0.00 C ATOM 963 CG TYR A 62 6.096 -1.144 9.725 1.00 0.00 C ATOM 964 CD1 TYR A 62 5.291 -1.628 8.702 1.00 0.00 C ATOM 965 CD2 TYR A 62 7.449 -1.459 9.699 1.00 0.00 C ATOM 966 CE1 TYR A 62 5.815 -2.402 7.685 1.00 0.00 C ATOM 967 CE2 TYR A 62 7.983 -2.231 8.685 1.00 0.00 C ATOM 968 CZ TYR A 62 7.162 -2.701 7.681 1.00 0.00 C ATOM 969 OH TYR A 62 7.689 -3.470 6.669 1.00 0.00 O ATOM 0 H TYR A 62 3.218 -0.476 9.964 1.00 0.00 H new ATOM 0 HA TYR A 62 4.683 -2.030 11.796 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.130 0.629 10.413 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.315 -0.025 11.527 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.236 -1.395 8.702 1.00 0.00 H new ATOM 0 HD2 TYR A 62 8.094 -1.094 10.485 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.174 -2.771 6.898 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.037 -2.465 8.679 1.00 0.00 H new ATOM 0 HH TYR A 62 8.651 -3.587 6.814 1.00 0.00 H new ATOM 979 N PRO A 63 4.850 -0.849 14.006 1.00 0.00 N ATOM 980 CA PRO A 63 4.763 -0.305 15.364 1.00 0.00 C ATOM 981 C PRO A 63 5.474 1.037 15.497 1.00 0.00 C ATOM 982 O PRO A 63 5.777 1.691 14.500 1.00 0.00 O ATOM 983 CB PRO A 63 5.462 -1.367 16.217 1.00 0.00 C ATOM 984 CG PRO A 63 6.395 -2.052 15.280 1.00 0.00 C ATOM 985 CD PRO A 63 5.718 -2.037 13.937 1.00 0.00 C ATOM 0 HA PRO A 63 3.732 -0.111 15.660 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.999 -0.914 17.050 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.744 -2.068 16.643 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.355 -1.537 15.239 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.595 -3.073 15.605 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.440 -1.961 13.124 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.142 -2.946 13.767 1.00 0.00 H new ATOM 993 N GLU A 64 5.737 1.442 16.736 1.00 0.00 N ATOM 994 CA GLU A 64 6.412 2.708 16.998 1.00 0.00 C ATOM 995 C GLU A 64 7.927 2.545 16.910 1.00 0.00 C ATOM 996 O GLU A 64 8.504 1.658 17.536 1.00 0.00 O ATOM 997 CB GLU A 64 6.025 3.242 18.379 1.00 0.00 C ATOM 998 CG GLU A 64 4.536 3.153 18.670 1.00 0.00 C ATOM 999 CD GLU A 64 4.136 1.813 19.255 1.00 0.00 C ATOM 1000 OE1 GLU A 64 4.578 1.502 20.381 1.00 0.00 O ATOM 1001 OE2 GLU A 64 3.380 1.075 18.589 1.00 0.00 O ATOM 0 H GLU A 64 5.493 0.912 17.573 1.00 0.00 H new ATOM 0 HA GLU A 64 6.096 3.423 16.238 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.570 2.684 19.141 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.341 4.282 18.459 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.257 3.946 19.364 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.979 3.324 17.749 1.00 0.00 H new ATOM 1008 N GLY A 65 8.565 3.410 16.126 1.00 0.00 N ATOM 1009 CA GLY A 65 10.006 3.345 15.970 1.00 0.00 C ATOM 1010 C GLY A 65 10.421 2.551 14.747 1.00 0.00 C ATOM 1011 O GLY A 65 11.419 2.872 14.101 1.00 0.00 O ATOM 0 H GLY A 65 8.109 4.154 15.597 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.406 4.356 15.896 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.445 2.893 16.859 1.00 0.00 H new ATOM 1015 N GLN A 66 9.655 1.513 14.429 1.00 0.00 N ATOM 1016 CA GLN A 66 9.951 0.670 13.277 1.00 0.00 C ATOM 1017 C GLN A 66 9.471 1.324 11.986 1.00 0.00 C ATOM 1018 O GLN A 66 10.045 1.110 10.919 1.00 0.00 O ATOM 1019 CB GLN A 66 9.297 -0.703 13.441 1.00 0.00 C ATOM 1020 CG GLN A 66 9.993 -1.592 14.459 1.00 0.00 C ATOM 1021 CD GLN A 66 9.754 -1.141 15.887 1.00 0.00 C ATOM 1022 OE1 GLN A 66 10.131 -0.034 16.272 1.00 0.00 O ATOM 1023 NE2 GLN A 66 9.125 -2.000 16.681 1.00 0.00 N ATOM 0 H GLN A 66 8.825 1.236 14.953 1.00 0.00 H new ATOM 0 HA GLN A 66 11.032 0.545 13.219 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.258 -0.567 13.740 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.287 -1.209 12.476 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.641 -2.617 14.342 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.064 -1.598 14.258 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.830 -2.907 16.319 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.937 -1.753 17.652 1.00 0.00 H new ATOM 1032 N ALA A 67 8.413 2.122 12.091 1.00 0.00 N ATOM 1033 CA ALA A 67 7.857 2.809 10.932 1.00 0.00 C ATOM 1034 C ALA A 67 8.951 3.188 9.940 1.00 0.00 C ATOM 1035 O ALA A 67 9.858 3.962 10.245 1.00 0.00 O ATOM 1036 CB ALA A 67 7.089 4.047 11.371 1.00 0.00 C ATOM 0 H ALA A 67 7.924 2.308 12.967 1.00 0.00 H new ATOM 0 HA ALA A 67 7.170 2.126 10.432 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.679 4.550 10.495 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.276 3.754 12.035 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.761 4.724 11.898 1.00 0.00 H new ATOM 1042 N PRO A 68 8.867 2.629 8.724 1.00 0.00 N ATOM 1043 CA PRO A 68 9.842 2.893 7.662 1.00 0.00 C ATOM 1044 C PRO A 68 9.742 4.316 7.123 1.00 0.00 C ATOM 1045 O PRO A 68 10.687 4.834 6.528 1.00 0.00 O ATOM 1046 CB PRO A 68 9.467 1.883 6.575 1.00 0.00 C ATOM 1047 CG PRO A 68 8.023 1.599 6.805 1.00 0.00 C ATOM 1048 CD PRO A 68 7.812 1.697 8.291 1.00 0.00 C ATOM 0 HA PRO A 68 10.867 2.795 8.018 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.636 2.292 5.579 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.066 0.976 6.653 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.395 2.315 6.274 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.757 0.608 6.438 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.818 2.075 8.532 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.910 0.726 8.776 1.00 0.00 H new ATOM 1056 N VAL A 69 8.590 4.945 7.337 1.00 0.00 N ATOM 1057 CA VAL A 69 8.367 6.310 6.874 1.00 0.00 C ATOM 1058 C VAL A 69 7.870 7.200 8.007 1.00 0.00 C ATOM 1059 O VAL A 69 6.671 7.268 8.279 1.00 0.00 O ATOM 1060 CB VAL A 69 7.349 6.351 5.719 1.00 0.00 C ATOM 1061 CG1 VAL A 69 6.977 7.788 5.386 1.00 0.00 C ATOM 1062 CG2 VAL A 69 7.903 5.638 4.495 1.00 0.00 C ATOM 0 H VAL A 69 7.797 4.531 7.828 1.00 0.00 H new ATOM 0 HA VAL A 69 9.326 6.684 6.516 1.00 0.00 H new ATOM 0 HB VAL A 69 6.445 5.831 6.036 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.257 7.797 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.536 8.262 6.263 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.871 8.336 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.170 5.677 3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.822 6.128 4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.114 4.598 4.744 1.00 0.00 H new ATOM 1072 N LYS A 70 8.799 7.883 8.667 1.00 0.00 N ATOM 1073 CA LYS A 70 8.457 8.772 9.771 1.00 0.00 C ATOM 1074 C LYS A 70 8.178 10.184 9.266 1.00 0.00 C ATOM 1075 O LYS A 70 7.264 10.856 9.745 1.00 0.00 O ATOM 1076 CB LYS A 70 9.590 8.801 10.799 1.00 0.00 C ATOM 1077 CG LYS A 70 9.460 7.741 11.879 1.00 0.00 C ATOM 1078 CD LYS A 70 8.572 8.211 13.018 1.00 0.00 C ATOM 1079 CE LYS A 70 8.204 7.065 13.948 1.00 0.00 C ATOM 1080 NZ LYS A 70 7.394 7.530 15.108 1.00 0.00 N ATOM 0 H LYS A 70 9.796 7.838 8.456 1.00 0.00 H new ATOM 0 HA LYS A 70 7.553 8.390 10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.541 8.667 10.283 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.618 9.784 11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.047 6.829 11.447 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.448 7.492 12.266 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.085 8.989 13.583 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.664 8.658 12.612 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.644 6.312 13.393 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.113 6.584 14.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.164 6.720 15.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.937 8.230 15.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.514 7.966 14.765 1.00 0.00 H new ATOM 1094 N LYS A 71 8.969 10.627 8.295 1.00 0.00 N ATOM 1095 CA LYS A 71 8.806 11.958 7.723 1.00 0.00 C ATOM 1096 C LYS A 71 7.666 11.979 6.709 1.00 0.00 C ATOM 1097 O LYS A 71 7.846 11.602 5.551 1.00 0.00 O ATOM 1098 CB LYS A 71 10.105 12.411 7.053 1.00 0.00 C ATOM 1099 CG LYS A 71 11.256 12.601 8.026 1.00 0.00 C ATOM 1100 CD LYS A 71 12.514 13.073 7.316 1.00 0.00 C ATOM 1101 CE LYS A 71 13.276 11.910 6.699 1.00 0.00 C ATOM 1102 NZ LYS A 71 14.251 12.369 5.672 1.00 0.00 N ATOM 0 H LYS A 71 9.730 10.083 7.887 1.00 0.00 H new ATOM 0 HA LYS A 71 8.562 12.646 8.533 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.393 11.675 6.302 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.925 13.349 6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.973 13.327 8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.458 11.661 8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.247 13.788 6.538 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.157 13.597 8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.803 11.365 7.482 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.571 11.214 6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.750 11.547 5.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.746 12.867 4.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.939 13.014 6.110 1.00 0.00 H new ATOM 1116 N ILE A 72 6.494 12.422 7.153 1.00 0.00 N ATOM 1117 CA ILE A 72 5.326 12.493 6.283 1.00 0.00 C ATOM 1118 C ILE A 72 4.849 13.932 6.122 1.00 0.00 C ATOM 1119 O ILE A 72 3.993 14.400 6.872 1.00 0.00 O ATOM 1120 CB ILE A 72 4.167 11.637 6.826 1.00 0.00 C ATOM 1121 CG1 ILE A 72 4.684 10.275 7.292 1.00 0.00 C ATOM 1122 CG2 ILE A 72 3.092 11.466 5.764 1.00 0.00 C ATOM 1123 CD1 ILE A 72 3.634 9.434 7.984 1.00 0.00 C ATOM 0 H ILE A 72 6.328 12.737 8.109 1.00 0.00 H new ATOM 0 HA ILE A 72 5.631 12.103 5.312 1.00 0.00 H new ATOM 0 HB ILE A 72 3.727 12.149 7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.067 9.727 6.431 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.522 10.427 7.972 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.280 10.859 6.163 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.706 12.444 5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.519 10.973 4.891 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.071 8.483 8.287 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.267 9.962 8.865 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.806 9.251 7.300 1.00 0.00 H new ATOM 1135 N GLN A 73 5.407 14.628 5.136 1.00 0.00 N ATOM 1136 CA GLN A 73 5.036 16.014 4.875 1.00 0.00 C ATOM 1137 C GLN A 73 4.317 16.142 3.536 1.00 0.00 C ATOM 1138 O GLN A 73 4.584 15.386 2.603 1.00 0.00 O ATOM 1139 CB GLN A 73 6.278 16.907 4.889 1.00 0.00 C ATOM 1140 CG GLN A 73 5.960 18.392 4.848 1.00 0.00 C ATOM 1141 CD GLN A 73 7.205 19.257 4.846 1.00 0.00 C ATOM 1142 OE1 GLN A 73 7.777 19.544 5.898 1.00 0.00 O ATOM 1143 NE2 GLN A 73 7.634 19.676 3.661 1.00 0.00 N ATOM 0 H GLN A 73 6.117 14.255 4.506 1.00 0.00 H new ATOM 0 HA GLN A 73 4.356 16.337 5.663 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.859 16.693 5.786 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.906 16.655 4.035 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.371 18.609 3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.344 18.651 5.709 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.129 19.414 2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.468 20.259 3.598 1.00 0.00 H new ATOM 1152 N ALA A 74 3.405 17.105 3.450 1.00 0.00 N ATOM 1153 CA ALA A 74 2.649 17.333 2.225 1.00 0.00 C ATOM 1154 C ALA A 74 3.190 18.537 1.462 1.00 0.00 C ATOM 1155 O ALA A 74 2.709 19.658 1.629 1.00 0.00 O ATOM 1156 CB ALA A 74 1.174 17.528 2.544 1.00 0.00 C ATOM 0 H ALA A 74 3.172 17.739 4.214 1.00 0.00 H new ATOM 0 HA ALA A 74 2.760 16.454 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.621 17.697 1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.788 16.637 3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.055 18.389 3.201 1.00 0.00 H new ATOM 1162 N SER A 75 4.195 18.298 0.626 1.00 0.00 N ATOM 1163 CA SER A 75 4.806 19.364 -0.160 1.00 0.00 C ATOM 1164 C SER A 75 4.189 19.434 -1.554 1.00 0.00 C ATOM 1165 O SER A 75 4.183 18.449 -2.293 1.00 0.00 O ATOM 1166 CB SER A 75 6.316 19.145 -0.269 1.00 0.00 C ATOM 1167 OG SER A 75 6.947 19.308 0.989 1.00 0.00 O ATOM 0 H SER A 75 4.604 17.376 0.475 1.00 0.00 H new ATOM 0 HA SER A 75 4.619 20.309 0.349 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.515 18.144 -0.652 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.738 19.850 -0.985 1.00 0.00 H new ATOM 0 HG SER A 75 7.261 18.438 1.313 1.00 0.00 H new ATOM 1173 N THR A 76 3.669 20.606 -1.906 1.00 0.00 N ATOM 1174 CA THR A 76 3.048 20.805 -3.209 1.00 0.00 C ATOM 1175 C THR A 76 3.983 20.380 -4.335 1.00 0.00 C ATOM 1176 O THR A 76 3.545 19.823 -5.341 1.00 0.00 O ATOM 1177 CB THR A 76 2.645 22.277 -3.420 1.00 0.00 C ATOM 1178 OG1 THR A 76 1.911 22.752 -2.286 1.00 0.00 O ATOM 1179 CG2 THR A 76 1.803 22.433 -4.677 1.00 0.00 C ATOM 0 H THR A 76 3.666 21.431 -1.307 1.00 0.00 H new ATOM 0 HA THR A 76 2.153 20.184 -3.230 1.00 0.00 H new ATOM 0 HB THR A 76 3.555 22.866 -3.536 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.660 23.689 -2.428 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.531 23.481 -4.805 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.376 22.099 -5.542 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.899 21.832 -4.586 1.00 0.00 H new ATOM 1187 N MET A 77 5.273 20.645 -4.158 1.00 0.00 N ATOM 1188 CA MET A 77 6.271 20.287 -5.160 1.00 0.00 C ATOM 1189 C MET A 77 5.906 18.975 -5.846 1.00 0.00 C ATOM 1190 O MET A 77 5.666 17.965 -5.185 1.00 0.00 O ATOM 1191 CB MET A 77 7.654 20.172 -4.515 1.00 0.00 C ATOM 1192 CG MET A 77 8.313 21.516 -4.247 1.00 0.00 C ATOM 1193 SD MET A 77 7.670 22.323 -2.770 1.00 0.00 S ATOM 1194 CE MET A 77 7.596 24.027 -3.319 1.00 0.00 C ATOM 0 H MET A 77 5.652 21.106 -3.331 1.00 0.00 H new ATOM 0 HA MET A 77 6.294 21.075 -5.912 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.564 19.627 -3.575 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.301 19.582 -5.164 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.388 21.374 -4.139 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.162 22.168 -5.107 1.00 0.00 H new ATOM 0 HE1 MET A 77 7.216 24.653 -2.512 1.00 0.00 H new ATOM 0 HE2 MET A 77 8.594 24.363 -3.599 1.00 0.00 H new ATOM 0 HE3 MET A 77 6.933 24.103 -4.181 1.00 0.00 H new ATOM 1204 N ALA A 78 5.867 18.997 -7.174 1.00 0.00 N ATOM 1205 CA ALA A 78 5.534 17.808 -7.948 1.00 0.00 C ATOM 1206 C ALA A 78 6.516 16.677 -7.668 1.00 0.00 C ATOM 1207 O ALA A 78 6.135 15.507 -7.622 1.00 0.00 O ATOM 1208 CB ALA A 78 5.513 18.135 -9.434 1.00 0.00 C ATOM 0 H ALA A 78 6.062 19.825 -7.736 1.00 0.00 H new ATOM 0 HA ALA A 78 4.541 17.475 -7.646 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.263 17.238 -10.000 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.766 18.906 -9.626 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.495 18.496 -9.741 1.00 0.00 H new ATOM 1214 N PHE A 79 7.783 17.032 -7.482 1.00 0.00 N ATOM 1215 CA PHE A 79 8.821 16.045 -7.207 1.00 0.00 C ATOM 1216 C PHE A 79 8.662 15.464 -5.805 1.00 0.00 C ATOM 1217 O PHE A 79 8.680 14.247 -5.619 1.00 0.00 O ATOM 1218 CB PHE A 79 10.207 16.677 -7.356 1.00 0.00 C ATOM 1219 CG PHE A 79 11.283 15.944 -6.606 1.00 0.00 C ATOM 1220 CD1 PHE A 79 11.875 14.814 -7.146 1.00 0.00 C ATOM 1221 CD2 PHE A 79 11.702 16.386 -5.362 1.00 0.00 C ATOM 1222 CE1 PHE A 79 12.866 14.137 -6.459 1.00 0.00 C ATOM 1223 CE2 PHE A 79 12.693 15.715 -4.671 1.00 0.00 C ATOM 1224 CZ PHE A 79 13.274 14.588 -5.219 1.00 0.00 C ATOM 0 H PHE A 79 8.116 17.996 -7.517 1.00 0.00 H new ATOM 0 HA PHE A 79 8.719 15.235 -7.930 1.00 0.00 H new ATOM 0 HB2 PHE A 79 10.470 16.711 -8.413 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.167 17.708 -7.004 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.559 14.457 -8.115 1.00 0.00 H new ATOM 0 HD2 PHE A 79 11.249 17.265 -4.927 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.320 13.257 -6.891 1.00 0.00 H new ATOM 0 HE2 PHE A 79 13.013 16.072 -3.703 1.00 0.00 H new ATOM 0 HZ PHE A 79 14.046 14.060 -4.679 1.00 0.00 H new ATOM 1234 N LYS A 80 8.508 16.343 -4.821 1.00 0.00 N ATOM 1235 CA LYS A 80 8.345 15.920 -3.435 1.00 0.00 C ATOM 1236 C LYS A 80 7.315 14.801 -3.325 1.00 0.00 C ATOM 1237 O LYS A 80 7.605 13.729 -2.796 1.00 0.00 O ATOM 1238 CB LYS A 80 7.921 17.106 -2.565 1.00 0.00 C ATOM 1239 CG LYS A 80 9.040 18.100 -2.305 1.00 0.00 C ATOM 1240 CD LYS A 80 9.997 17.596 -1.238 1.00 0.00 C ATOM 1241 CE LYS A 80 10.876 18.716 -0.704 1.00 0.00 C ATOM 1242 NZ LYS A 80 11.962 18.199 0.175 1.00 0.00 N ATOM 0 H LYS A 80 8.493 17.354 -4.958 1.00 0.00 H new ATOM 0 HA LYS A 80 9.304 15.542 -3.081 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.092 17.623 -3.049 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.550 16.732 -1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.588 18.282 -3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.615 19.054 -1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.430 17.155 -0.418 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.624 16.807 -1.653 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.314 19.263 -1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.263 19.424 -0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.539 18.994 0.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.544 17.699 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.563 17.543 -0.364 1.00 0.00 H new ATOM 1256 N GLN A 81 6.112 15.059 -3.829 1.00 0.00 N ATOM 1257 CA GLN A 81 5.040 14.072 -3.788 1.00 0.00 C ATOM 1258 C GLN A 81 5.509 12.734 -4.349 1.00 0.00 C ATOM 1259 O GLN A 81 5.557 11.733 -3.635 1.00 0.00 O ATOM 1260 CB GLN A 81 3.827 14.572 -4.575 1.00 0.00 C ATOM 1261 CG GLN A 81 3.300 15.914 -4.093 1.00 0.00 C ATOM 1262 CD GLN A 81 2.473 15.796 -2.829 1.00 0.00 C ATOM 1263 OE1 GLN A 81 2.682 14.894 -2.017 1.00 0.00 O ATOM 1264 NE2 GLN A 81 1.525 16.710 -2.654 1.00 0.00 N ATOM 0 H GLN A 81 5.856 15.942 -4.270 1.00 0.00 H new ATOM 0 HA GLN A 81 4.754 13.927 -2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.096 14.654 -5.628 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.030 13.832 -4.506 1.00 0.00 H new ATOM 0 HG2 GLN A 81 4.139 16.586 -3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.694 16.365 -4.878 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.386 17.440 -3.352 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.936 16.681 -1.821 1.00 0.00 H new ATOM 1273 N MET A 82 5.854 12.725 -5.632 1.00 0.00 N ATOM 1274 CA MET A 82 6.321 11.509 -6.289 1.00 0.00 C ATOM 1275 C MET A 82 7.244 10.715 -5.371 1.00 0.00 C ATOM 1276 O MET A 82 6.939 9.583 -4.998 1.00 0.00 O ATOM 1277 CB MET A 82 7.049 11.854 -7.590 1.00 0.00 C ATOM 1278 CG MET A 82 6.117 12.061 -8.772 1.00 0.00 C ATOM 1279 SD MET A 82 6.994 12.122 -10.346 1.00 0.00 S ATOM 1280 CE MET A 82 7.133 13.892 -10.588 1.00 0.00 C ATOM 0 H MET A 82 5.819 13.545 -6.237 1.00 0.00 H new ATOM 0 HA MET A 82 5.451 10.894 -6.520 1.00 0.00 H new ATOM 0 HB2 MET A 82 7.637 12.759 -7.439 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.751 11.054 -7.827 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.386 11.253 -8.799 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.562 12.989 -8.634 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.858 14.142 -11.613 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.465 14.407 -9.898 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.160 14.205 -10.401 1.00 0.00 H new ATOM 1290 N GLU A 83 8.374 11.317 -5.010 1.00 0.00 N ATOM 1291 CA GLU A 83 9.341 10.664 -4.136 1.00 0.00 C ATOM 1292 C GLU A 83 8.659 10.108 -2.889 1.00 0.00 C ATOM 1293 O GLU A 83 9.024 9.042 -2.393 1.00 0.00 O ATOM 1294 CB GLU A 83 10.443 11.646 -3.734 1.00 0.00 C ATOM 1295 CG GLU A 83 11.389 11.101 -2.677 1.00 0.00 C ATOM 1296 CD GLU A 83 12.549 10.329 -3.275 1.00 0.00 C ATOM 1297 OE1 GLU A 83 13.571 10.963 -3.613 1.00 0.00 O ATOM 1298 OE2 GLU A 83 12.435 9.093 -3.406 1.00 0.00 O ATOM 0 H GLU A 83 8.641 12.255 -5.309 1.00 0.00 H new ATOM 0 HA GLU A 83 9.787 9.835 -4.685 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.018 11.916 -4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.984 12.561 -3.361 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.776 11.927 -2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.835 10.451 -2.000 1.00 0.00 H new ATOM 1305 N GLN A 84 7.669 10.839 -2.388 1.00 0.00 N ATOM 1306 CA GLN A 84 6.937 10.420 -1.198 1.00 0.00 C ATOM 1307 C GLN A 84 6.323 9.038 -1.395 1.00 0.00 C ATOM 1308 O GLN A 84 6.256 8.240 -0.460 1.00 0.00 O ATOM 1309 CB GLN A 84 5.842 11.435 -0.863 1.00 0.00 C ATOM 1310 CG GLN A 84 5.417 11.411 0.596 1.00 0.00 C ATOM 1311 CD GLN A 84 6.258 12.326 1.464 1.00 0.00 C ATOM 1312 OE1 GLN A 84 6.811 13.318 0.988 1.00 0.00 O ATOM 1313 NE2 GLN A 84 6.358 11.997 2.747 1.00 0.00 N ATOM 0 H GLN A 84 7.355 11.724 -2.787 1.00 0.00 H new ATOM 0 HA GLN A 84 7.642 10.369 -0.368 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.196 12.435 -1.113 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.972 11.239 -1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.370 11.707 0.671 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.488 10.391 0.974 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.883 11.166 3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.910 12.576 3.380 1.00 0.00 H new ATOM 1322 N ILE A 85 5.876 8.764 -2.616 1.00 0.00 N ATOM 1323 CA ILE A 85 5.269 7.478 -2.935 1.00 0.00 C ATOM 1324 C ILE A 85 6.290 6.349 -2.844 1.00 0.00 C ATOM 1325 O ILE A 85 6.055 5.338 -2.183 1.00 0.00 O ATOM 1326 CB ILE A 85 4.649 7.482 -4.345 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.580 8.571 -4.453 1.00 0.00 C ATOM 1328 CG2 ILE A 85 4.058 6.118 -4.668 1.00 0.00 C ATOM 1329 CD1 ILE A 85 3.252 8.956 -5.879 1.00 0.00 C ATOM 0 H ILE A 85 5.923 9.415 -3.400 1.00 0.00 H new ATOM 0 HA ILE A 85 4.481 7.311 -2.201 1.00 0.00 H new ATOM 0 HB ILE A 85 5.434 7.697 -5.070 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.671 8.227 -3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.919 9.456 -3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.624 6.137 -5.668 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.843 5.363 -4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.283 5.876 -3.941 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.487 9.732 -5.879 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.150 9.331 -6.370 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.882 8.082 -6.416 1.00 0.00 H new ATOM 1341 N SER A 86 7.425 6.531 -3.511 1.00 0.00 N ATOM 1342 CA SER A 86 8.483 5.527 -3.507 1.00 0.00 C ATOM 1343 C SER A 86 8.826 5.104 -2.082 1.00 0.00 C ATOM 1344 O SER A 86 9.031 3.923 -1.806 1.00 0.00 O ATOM 1345 CB SER A 86 9.732 6.068 -4.205 1.00 0.00 C ATOM 1346 OG SER A 86 10.718 5.060 -4.340 1.00 0.00 O ATOM 0 H SER A 86 7.636 7.364 -4.061 1.00 0.00 H new ATOM 0 HA SER A 86 8.122 4.653 -4.050 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.464 6.453 -5.189 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.138 6.904 -3.635 1.00 0.00 H new ATOM 0 HG SER A 86 11.505 5.431 -4.790 1.00 0.00 H new ATOM 1352 N GLN A 87 8.887 6.080 -1.181 1.00 0.00 N ATOM 1353 CA GLN A 87 9.205 5.810 0.216 1.00 0.00 C ATOM 1354 C GLN A 87 8.338 4.681 0.764 1.00 0.00 C ATOM 1355 O GLN A 87 8.779 3.899 1.607 1.00 0.00 O ATOM 1356 CB GLN A 87 9.013 7.072 1.058 1.00 0.00 C ATOM 1357 CG GLN A 87 9.961 8.201 0.689 1.00 0.00 C ATOM 1358 CD GLN A 87 10.253 9.123 1.855 1.00 0.00 C ATOM 1359 OE1 GLN A 87 10.664 8.677 2.927 1.00 0.00 O ATOM 1360 NE2 GLN A 87 10.043 10.419 1.653 1.00 0.00 N ATOM 0 H GLN A 87 8.721 7.064 -1.394 1.00 0.00 H new ATOM 0 HA GLN A 87 10.249 5.501 0.271 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.986 7.420 0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.152 6.821 2.110 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.896 7.779 0.321 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.530 8.780 -0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.702 10.746 0.749 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.223 11.088 2.402 1.00 0.00 H new ATOM 1369 N PHE A 88 7.103 4.603 0.282 1.00 0.00 N ATOM 1370 CA PHE A 88 6.172 3.571 0.724 1.00 0.00 C ATOM 1371 C PHE A 88 6.449 2.249 0.014 1.00 0.00 C ATOM 1372 O PHE A 88 6.551 1.199 0.649 1.00 0.00 O ATOM 1373 CB PHE A 88 4.730 4.010 0.466 1.00 0.00 C ATOM 1374 CG PHE A 88 3.780 2.863 0.269 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.610 1.909 1.259 1.00 0.00 C ATOM 1376 CD2 PHE A 88 3.057 2.739 -0.907 1.00 0.00 C ATOM 1377 CE1 PHE A 88 2.738 0.852 1.079 1.00 0.00 C ATOM 1378 CE2 PHE A 88 2.183 1.685 -1.092 1.00 0.00 C ATOM 1379 CZ PHE A 88 2.022 0.741 -0.097 1.00 0.00 C ATOM 0 H PHE A 88 6.723 5.243 -0.416 1.00 0.00 H new ATOM 0 HA PHE A 88 6.313 3.424 1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.387 4.615 1.305 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.705 4.648 -0.418 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.165 1.992 2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.178 3.475 -1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.616 0.113 1.857 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.626 1.599 -2.014 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.338 -0.082 -0.238 1.00 0.00 H new ATOM 1389 N LEU A 89 6.567 2.309 -1.308 1.00 0.00 N ATOM 1390 CA LEU A 89 6.831 1.117 -2.107 1.00 0.00 C ATOM 1391 C LEU A 89 8.098 0.413 -1.633 1.00 0.00 C ATOM 1392 O LEU A 89 8.075 -0.774 -1.309 1.00 0.00 O ATOM 1393 CB LEU A 89 6.964 1.489 -3.585 1.00 0.00 C ATOM 1394 CG LEU A 89 5.796 2.270 -4.188 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.173 2.825 -5.553 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.561 1.387 -4.292 1.00 0.00 C ATOM 0 H LEU A 89 6.484 3.170 -1.849 1.00 0.00 H new ATOM 0 HA LEU A 89 5.990 0.434 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.872 2.078 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.097 0.572 -4.159 1.00 0.00 H new ATOM 0 HG LEU A 89 5.565 3.107 -3.529 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.329 3.378 -5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.029 3.492 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.431 2.003 -6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.740 1.959 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.779 0.530 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.278 1.039 -3.299 1.00 0.00 H new ATOM 1408 N GLN A 90 9.201 1.153 -1.592 1.00 0.00 N ATOM 1409 CA GLN A 90 10.477 0.599 -1.155 1.00 0.00 C ATOM 1410 C GLN A 90 10.278 -0.393 -0.014 1.00 0.00 C ATOM 1411 O GLN A 90 10.932 -1.433 0.038 1.00 0.00 O ATOM 1412 CB GLN A 90 11.419 1.720 -0.714 1.00 0.00 C ATOM 1413 CG GLN A 90 11.951 2.557 -1.866 1.00 0.00 C ATOM 1414 CD GLN A 90 13.260 3.245 -1.532 1.00 0.00 C ATOM 1415 OE1 GLN A 90 13.279 4.277 -0.861 1.00 0.00 O ATOM 1416 NE2 GLN A 90 14.364 2.675 -2.000 1.00 0.00 N ATOM 0 H GLN A 90 9.237 2.138 -1.856 1.00 0.00 H new ATOM 0 HA GLN A 90 10.922 0.070 -1.998 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.893 2.371 -0.015 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.260 1.285 -0.173 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.093 1.919 -2.738 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.209 3.308 -2.137 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.302 1.820 -2.552 1.00 0.00 H new ATOM 0 HE22 GLN A 90 15.275 3.092 -1.807 1.00 0.00 H new ATOM 1425 N ALA A 91 9.369 -0.063 0.898 1.00 0.00 N ATOM 1426 CA ALA A 91 9.083 -0.926 2.038 1.00 0.00 C ATOM 1427 C ALA A 91 8.027 -1.968 1.685 1.00 0.00 C ATOM 1428 O ALA A 91 8.131 -3.129 2.081 1.00 0.00 O ATOM 1429 CB ALA A 91 8.629 -0.094 3.228 1.00 0.00 C ATOM 0 H ALA A 91 8.818 0.795 0.870 1.00 0.00 H new ATOM 0 HA ALA A 91 10.000 -1.451 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.419 -0.751 4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.416 0.609 3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.727 0.457 2.964 1.00 0.00 H new ATOM 1435 N ALA A 92 7.011 -1.546 0.939 1.00 0.00 N ATOM 1436 CA ALA A 92 5.937 -2.444 0.533 1.00 0.00 C ATOM 1437 C ALA A 92 6.470 -3.845 0.251 1.00 0.00 C ATOM 1438 O ALA A 92 5.934 -4.834 0.749 1.00 0.00 O ATOM 1439 CB ALA A 92 5.223 -1.892 -0.692 1.00 0.00 C ATOM 0 H ALA A 92 6.909 -0.588 0.604 1.00 0.00 H new ATOM 0 HA ALA A 92 5.224 -2.514 1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.423 -2.573 -0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.800 -0.915 -0.457 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.933 -1.792 -1.513 1.00 0.00 H new ATOM 1445 N GLU A 93 7.527 -3.920 -0.551 1.00 0.00 N ATOM 1446 CA GLU A 93 8.131 -5.201 -0.900 1.00 0.00 C ATOM 1447 C GLU A 93 8.879 -5.792 0.291 1.00 0.00 C ATOM 1448 O GLU A 93 8.872 -7.005 0.503 1.00 0.00 O ATOM 1449 CB GLU A 93 9.085 -5.035 -2.085 1.00 0.00 C ATOM 1450 CG GLU A 93 10.168 -6.099 -2.148 1.00 0.00 C ATOM 1451 CD GLU A 93 11.419 -5.703 -1.387 1.00 0.00 C ATOM 1452 OE1 GLU A 93 12.033 -4.677 -1.749 1.00 0.00 O ATOM 1453 OE2 GLU A 93 11.784 -6.419 -0.431 1.00 0.00 O ATOM 0 H GLU A 93 7.983 -3.110 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 93 7.331 -5.886 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.509 -5.059 -3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.555 -4.053 -2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.779 -7.032 -1.741 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.426 -6.289 -3.190 1.00 0.00 H new ATOM 1460 N ARG A 94 9.526 -4.926 1.065 1.00 0.00 N ATOM 1461 CA ARG A 94 10.281 -5.362 2.234 1.00 0.00 C ATOM 1462 C ARG A 94 9.364 -6.024 3.258 1.00 0.00 C ATOM 1463 O ARG A 94 9.825 -6.739 4.148 1.00 0.00 O ATOM 1464 CB ARG A 94 11.003 -4.174 2.873 1.00 0.00 C ATOM 1465 CG ARG A 94 12.107 -3.594 2.005 1.00 0.00 C ATOM 1466 CD ARG A 94 13.229 -4.597 1.787 1.00 0.00 C ATOM 1467 NE ARG A 94 13.860 -4.995 3.042 1.00 0.00 N ATOM 1468 CZ ARG A 94 14.815 -5.913 3.126 1.00 0.00 C ATOM 1469 NH1 ARG A 94 15.249 -6.525 2.033 1.00 0.00 N ATOM 1470 NH2 ARG A 94 15.340 -6.221 4.306 1.00 0.00 N ATOM 0 H ARG A 94 9.542 -3.919 0.904 1.00 0.00 H new ATOM 0 HA ARG A 94 11.019 -6.094 1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.275 -3.392 3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.429 -4.488 3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 94 11.694 -3.293 1.042 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.507 -2.696 2.475 1.00 0.00 H new ATOM 0 HD2 ARG A 94 12.833 -5.480 1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.979 -4.163 1.126 1.00 0.00 H new ATOM 0 HE ARG A 94 13.550 -4.543 3.902 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.849 -6.291 1.124 1.00 0.00 H new ATOM 0 HH12 ARG A 94 15.983 -7.230 2.101 1.00 0.00 H new ATOM 0 HH21 ARG A 94 15.009 -5.752 5.149 1.00 0.00 H new ATOM 0 HH22 ARG A 94 16.074 -6.927 4.369 1.00 0.00 H new ATOM 1484 N TYR A 95 8.065 -5.782 3.125 1.00 0.00 N ATOM 1485 CA TYR A 95 7.083 -6.352 4.040 1.00 0.00 C ATOM 1486 C TYR A 95 6.736 -7.784 3.643 1.00 0.00 C ATOM 1487 O TYR A 95 6.751 -8.692 4.473 1.00 0.00 O ATOM 1488 CB TYR A 95 5.816 -5.496 4.061 1.00 0.00 C ATOM 1489 CG TYR A 95 4.583 -6.249 4.506 1.00 0.00 C ATOM 1490 CD1 TYR A 95 4.344 -6.495 5.853 1.00 0.00 C ATOM 1491 CD2 TYR A 95 3.657 -6.713 3.581 1.00 0.00 C ATOM 1492 CE1 TYR A 95 3.220 -7.184 6.264 1.00 0.00 C ATOM 1493 CE2 TYR A 95 2.528 -7.401 3.983 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.315 -7.635 5.326 1.00 0.00 C ATOM 1495 OH TYR A 95 1.192 -8.320 5.732 1.00 0.00 O ATOM 0 H TYR A 95 7.667 -5.195 2.392 1.00 0.00 H new ATOM 0 HA TYR A 95 7.520 -6.366 5.038 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.973 -4.647 4.726 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.644 -5.092 3.063 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.049 -6.141 6.591 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.822 -6.533 2.529 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.050 -7.369 7.314 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.817 -7.753 3.251 1.00 0.00 H new ATOM 0 HH TYR A 95 1.388 -9.280 5.764 1.00 0.00 H new ATOM 1505 N GLY A 96 6.424 -7.978 2.365 1.00 0.00 N ATOM 1506 CA GLY A 96 6.077 -9.301 1.879 1.00 0.00 C ATOM 1507 C GLY A 96 5.669 -9.293 0.419 1.00 0.00 C ATOM 1508 O GLY A 96 5.960 -10.236 -0.318 1.00 0.00 O ATOM 0 H GLY A 96 6.405 -7.243 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.929 -9.968 2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.261 -9.703 2.479 1.00 0.00 H new ATOM 1512 N ILE A 97 4.993 -8.229 0.001 1.00 0.00 N ATOM 1513 CA ILE A 97 4.544 -8.104 -1.380 1.00 0.00 C ATOM 1514 C ILE A 97 5.707 -8.263 -2.353 1.00 0.00 C ATOM 1515 O ILE A 97 6.870 -8.129 -1.973 1.00 0.00 O ATOM 1516 CB ILE A 97 3.863 -6.745 -1.630 1.00 0.00 C ATOM 1517 CG1 ILE A 97 2.712 -6.538 -0.643 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.360 -6.660 -3.063 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.128 -5.143 -0.680 1.00 0.00 C ATOM 0 H ILE A 97 4.744 -7.441 0.599 1.00 0.00 H new ATOM 0 HA ILE A 97 3.820 -8.901 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 97 4.597 -5.954 -1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.924 -7.259 -0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.067 -6.748 0.366 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.881 -5.694 -3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.199 -6.768 -3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.638 -7.457 -3.243 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.317 -5.069 0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.903 -4.417 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.742 -4.936 -1.678 1.00 0.00 H new ATOM 1531 N ASN A 98 5.385 -8.547 -3.611 1.00 0.00 N ATOM 1532 CA ASN A 98 6.404 -8.723 -4.640 1.00 0.00 C ATOM 1533 C ASN A 98 6.342 -7.595 -5.665 1.00 0.00 C ATOM 1534 O ASN A 98 5.272 -7.054 -5.947 1.00 0.00 O ATOM 1535 CB ASN A 98 6.225 -10.072 -5.338 1.00 0.00 C ATOM 1536 CG ASN A 98 7.484 -10.525 -6.051 1.00 0.00 C ATOM 1537 OD1 ASN A 98 7.573 -10.462 -7.278 1.00 0.00 O ATOM 1538 ND2 ASN A 98 8.465 -10.986 -5.284 1.00 0.00 N ATOM 0 H ASN A 98 4.427 -8.660 -3.942 1.00 0.00 H new ATOM 0 HA ASN A 98 7.381 -8.698 -4.157 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.937 -10.823 -4.603 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.409 -10.001 -6.057 1.00 0.00 H new ATOM 0 HD21 ASN A 98 9.336 -11.306 -5.707 1.00 0.00 H new ATOM 0 HD22 ASN A 98 8.348 -11.020 -4.271 1.00 0.00 H new ATOM 1545 N THR A 99 7.497 -7.244 -6.221 1.00 0.00 N ATOM 1546 CA THR A 99 7.576 -6.180 -7.214 1.00 0.00 C ATOM 1547 C THR A 99 6.815 -6.554 -8.481 1.00 0.00 C ATOM 1548 O THR A 99 6.588 -5.714 -9.353 1.00 0.00 O ATOM 1549 CB THR A 99 9.037 -5.861 -7.581 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.606 -6.948 -8.320 1.00 0.00 O ATOM 1551 CG2 THR A 99 9.865 -5.602 -6.331 1.00 0.00 C ATOM 0 H THR A 99 8.392 -7.682 -6.000 1.00 0.00 H new ATOM 0 HA THR A 99 7.121 -5.296 -6.767 1.00 0.00 H new ATOM 0 HB THR A 99 9.045 -4.961 -8.196 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.535 -6.736 -8.551 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.893 -5.379 -6.615 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.447 -4.755 -5.787 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.849 -6.486 -5.694 1.00 0.00 H new ATOM 1559 N THR A 100 6.423 -7.820 -8.578 1.00 0.00 N ATOM 1560 CA THR A 100 5.688 -8.306 -9.740 1.00 0.00 C ATOM 1561 C THR A 100 4.277 -7.732 -9.777 1.00 0.00 C ATOM 1562 O THR A 100 3.545 -7.919 -10.749 1.00 0.00 O ATOM 1563 CB THR A 100 5.605 -9.844 -9.749 1.00 0.00 C ATOM 1564 OG1 THR A 100 5.407 -10.316 -11.087 1.00 0.00 O ATOM 1565 CG2 THR A 100 4.469 -10.330 -8.861 1.00 0.00 C ATOM 0 H THR A 100 6.602 -8.528 -7.866 1.00 0.00 H new ATOM 0 HA THR A 100 6.236 -7.974 -10.622 1.00 0.00 H new ATOM 0 HB THR A 100 6.543 -10.239 -9.360 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.761 -9.739 -11.545 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.430 -11.419 -8.883 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.638 -9.994 -7.838 1.00 0.00 H new ATOM 0 HG23 THR A 100 3.524 -9.926 -9.225 1.00 0.00 H new ATOM 1573 N ASP A 101 3.900 -7.031 -8.713 1.00 0.00 N ATOM 1574 CA ASP A 101 2.575 -6.428 -8.624 1.00 0.00 C ATOM 1575 C ASP A 101 2.676 -4.946 -8.277 1.00 0.00 C ATOM 1576 O ASP A 101 1.948 -4.119 -8.828 1.00 0.00 O ATOM 1577 CB ASP A 101 1.729 -7.153 -7.577 1.00 0.00 C ATOM 1578 CG ASP A 101 1.104 -8.425 -8.117 1.00 0.00 C ATOM 1579 OD1 ASP A 101 0.117 -8.325 -8.876 1.00 0.00 O ATOM 1580 OD2 ASP A 101 1.603 -9.519 -7.782 1.00 0.00 O ATOM 0 H ASP A 101 4.493 -6.866 -7.900 1.00 0.00 H new ATOM 0 HA ASP A 101 2.093 -6.524 -9.597 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.351 -7.395 -6.715 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.942 -6.486 -7.225 1.00 0.00 H new ATOM 1585 N ILE A 102 3.580 -4.618 -7.360 1.00 0.00 N ATOM 1586 CA ILE A 102 3.774 -3.236 -6.940 1.00 0.00 C ATOM 1587 C ILE A 102 3.742 -2.288 -8.134 1.00 0.00 C ATOM 1588 O ILE A 102 4.358 -2.552 -9.167 1.00 0.00 O ATOM 1589 CB ILE A 102 5.110 -3.057 -6.194 1.00 0.00 C ATOM 1590 CG1 ILE A 102 5.110 -3.876 -4.901 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.357 -1.586 -5.895 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.413 -3.797 -4.136 1.00 0.00 C ATOM 0 H ILE A 102 4.189 -5.290 -6.894 1.00 0.00 H new ATOM 0 HA ILE A 102 2.953 -2.994 -6.265 1.00 0.00 H new ATOM 0 HB ILE A 102 5.917 -3.418 -6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.300 -3.528 -4.260 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.901 -4.919 -5.141 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.305 -1.476 -5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.395 -1.026 -6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.549 -1.200 -5.273 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.341 -4.401 -3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.224 -4.173 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.614 -2.760 -3.865 1.00 0.00 H new ATOM 1604 N PHE A 103 3.020 -1.183 -7.985 1.00 0.00 N ATOM 1605 CA PHE A 103 2.907 -0.194 -9.051 1.00 0.00 C ATOM 1606 C PHE A 103 4.129 0.720 -9.077 1.00 0.00 C ATOM 1607 O PHE A 103 4.987 0.650 -8.198 1.00 0.00 O ATOM 1608 CB PHE A 103 1.636 0.639 -8.871 1.00 0.00 C ATOM 1609 CG PHE A 103 1.605 1.414 -7.584 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.219 0.804 -6.402 1.00 0.00 C ATOM 1611 CD2 PHE A 103 1.963 2.752 -7.557 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.189 1.514 -5.217 1.00 0.00 C ATOM 1613 CE2 PHE A 103 1.936 3.468 -6.375 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.549 2.848 -5.203 1.00 0.00 C ATOM 0 H PHE A 103 2.504 -0.949 -7.137 1.00 0.00 H new ATOM 0 HA PHE A 103 2.853 -0.725 -10.001 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.545 1.333 -9.706 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.770 -0.021 -8.909 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.938 -0.239 -6.407 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.267 3.242 -8.470 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.884 1.027 -4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.217 4.511 -6.368 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.528 3.405 -4.278 1.00 0.00 H new ATOM 1624 N GLN A 104 4.199 1.575 -10.092 1.00 0.00 N ATOM 1625 CA GLN A 104 5.316 2.502 -10.234 1.00 0.00 C ATOM 1626 C GLN A 104 4.949 3.883 -9.701 1.00 0.00 C ATOM 1627 O GLN A 104 3.785 4.285 -9.737 1.00 0.00 O ATOM 1628 CB GLN A 104 5.739 2.604 -11.700 1.00 0.00 C ATOM 1629 CG GLN A 104 6.666 1.484 -12.146 1.00 0.00 C ATOM 1630 CD GLN A 104 7.724 1.156 -11.111 1.00 0.00 C ATOM 1631 OE1 GLN A 104 7.381 0.286 -10.168 1.00 0.00 O flip ATOM 1632 NE2 GLN A 104 8.838 1.679 -11.157 1.00 0.00 N flip ATOM 0 H GLN A 104 3.496 1.645 -10.828 1.00 0.00 H new ATOM 0 HA GLN A 104 6.151 2.117 -9.649 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.848 2.598 -12.328 1.00 0.00 H new ATOM 0 HB3 GLN A 104 6.236 3.561 -11.860 1.00 0.00 H new ATOM 0 HG2 GLN A 104 6.077 0.591 -12.354 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.152 1.769 -13.079 1.00 0.00 H new ATOM 0 HE21 GLN A 104 9.060 2.343 -11.899 1.00 0.00 H new ATOM 0 HE22 GLN A 104 9.539 1.449 -10.453 1.00 0.00 H new ATOM 1641 N THR A 105 5.948 4.605 -9.205 1.00 0.00 N ATOM 1642 CA THR A 105 5.730 5.941 -8.663 1.00 0.00 C ATOM 1643 C THR A 105 4.909 6.796 -9.622 1.00 0.00 C ATOM 1644 O THR A 105 3.976 7.486 -9.210 1.00 0.00 O ATOM 1645 CB THR A 105 7.064 6.653 -8.372 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.859 5.861 -7.483 1.00 0.00 O ATOM 1647 CG2 THR A 105 6.823 8.025 -7.759 1.00 0.00 C ATOM 0 H THR A 105 6.917 4.287 -9.167 1.00 0.00 H new ATOM 0 HA THR A 105 5.181 5.818 -7.729 1.00 0.00 H new ATOM 0 HB THR A 105 7.594 6.782 -9.315 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.706 6.320 -7.305 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.780 8.509 -7.562 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.243 8.636 -8.451 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.273 7.914 -6.824 1.00 0.00 H new ATOM 1655 N VAL A 106 5.260 6.745 -10.902 1.00 0.00 N ATOM 1656 CA VAL A 106 4.554 7.513 -11.920 1.00 0.00 C ATOM 1657 C VAL A 106 3.208 6.879 -12.253 1.00 0.00 C ATOM 1658 O VAL A 106 2.206 7.575 -12.417 1.00 0.00 O ATOM 1659 CB VAL A 106 5.386 7.633 -13.211 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.557 6.271 -13.864 1.00 0.00 C ATOM 1661 CG2 VAL A 106 4.737 8.617 -14.173 1.00 0.00 C ATOM 0 H VAL A 106 6.030 6.179 -11.259 1.00 0.00 H new ATOM 0 HA VAL A 106 4.391 8.509 -11.508 1.00 0.00 H new ATOM 0 HB VAL A 106 6.375 8.012 -12.952 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.147 6.376 -14.774 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.069 5.599 -13.175 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.578 5.861 -14.111 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.338 8.690 -15.080 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.736 8.270 -14.428 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.672 9.598 -13.701 1.00 0.00 H new ATOM 1671 N ASP A 107 3.193 5.554 -12.351 1.00 0.00 N ATOM 1672 CA ASP A 107 1.970 4.824 -12.662 1.00 0.00 C ATOM 1673 C ASP A 107 0.779 5.416 -11.916 1.00 0.00 C ATOM 1674 O ASP A 107 -0.334 5.466 -12.441 1.00 0.00 O ATOM 1675 CB ASP A 107 2.128 3.345 -12.306 1.00 0.00 C ATOM 1676 CG ASP A 107 2.771 2.546 -13.422 1.00 0.00 C ATOM 1677 OD1 ASP A 107 3.255 3.165 -14.392 1.00 0.00 O ATOM 1678 OD2 ASP A 107 2.789 1.301 -13.325 1.00 0.00 O ATOM 0 H ASP A 107 4.014 4.964 -12.219 1.00 0.00 H new ATOM 0 HA ASP A 107 1.785 4.913 -13.733 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.732 3.254 -11.403 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.149 2.923 -12.078 1.00 0.00 H new ATOM 1683 N LEU A 108 1.019 5.862 -10.688 1.00 0.00 N ATOM 1684 CA LEU A 108 -0.034 6.450 -9.867 1.00 0.00 C ATOM 1685 C LEU A 108 -0.013 7.972 -9.963 1.00 0.00 C ATOM 1686 O LEU A 108 -1.011 8.594 -10.327 1.00 0.00 O ATOM 1687 CB LEU A 108 0.127 6.017 -8.409 1.00 0.00 C ATOM 1688 CG LEU A 108 -0.634 6.847 -7.374 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -2.116 6.504 -7.401 1.00 0.00 C ATOM 1690 CD2 LEU A 108 -0.058 6.624 -5.984 1.00 0.00 C ATOM 0 H LEU A 108 1.934 5.828 -10.239 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.994 6.094 -10.241 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.195 4.979 -8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.187 6.044 -8.158 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.521 7.901 -7.627 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.642 7.104 -6.658 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.520 6.716 -8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.249 5.446 -7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.612 7.222 -5.260 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.140 5.569 -5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.991 6.920 -5.973 1.00 0.00 H new ATOM 1702 N TRP A 109 1.130 8.564 -9.636 1.00 0.00 N ATOM 1703 CA TRP A 109 1.281 10.014 -9.688 1.00 0.00 C ATOM 1704 C TRP A 109 0.594 10.590 -10.921 1.00 0.00 C ATOM 1705 O TRP A 109 -0.273 11.456 -10.812 1.00 0.00 O ATOM 1706 CB TRP A 109 2.762 10.393 -9.690 1.00 0.00 C ATOM 1707 CG TRP A 109 3.008 11.831 -9.346 1.00 0.00 C ATOM 1708 CD1 TRP A 109 2.779 12.437 -8.144 1.00 0.00 C ATOM 1709 CD2 TRP A 109 3.528 12.844 -10.216 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.126 13.765 -8.213 1.00 0.00 N ATOM 1711 CE2 TRP A 109 3.588 14.039 -9.473 1.00 0.00 C ATOM 1712 CE3 TRP A 109 3.950 12.856 -11.548 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 4.053 15.232 -10.021 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 4.410 14.041 -12.090 1.00 0.00 C ATOM 1715 CH2 TRP A 109 4.459 15.215 -11.327 1.00 0.00 C ATOM 0 H TRP A 109 1.965 8.063 -9.332 1.00 0.00 H new ATOM 0 HA TRP A 109 0.807 10.435 -8.802 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.292 9.761 -8.978 1.00 0.00 H new ATOM 0 HB3 TRP A 109 3.181 10.186 -10.674 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.383 11.945 -7.268 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.052 14.438 -7.450 1.00 0.00 H new ATOM 0 HE3 TRP A 109 3.917 11.955 -12.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 4.092 16.139 -9.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 4.737 14.062 -13.119 1.00 0.00 H new ATOM 0 HH2 TRP A 109 4.825 16.125 -11.779 1.00 0.00 H new ATOM 1726 N GLU A 110 0.987 10.102 -12.094 1.00 0.00 N ATOM 1727 CA GLU A 110 0.409 10.570 -13.348 1.00 0.00 C ATOM 1728 C GLU A 110 -0.930 9.888 -13.617 1.00 0.00 C ATOM 1729 O GLU A 110 -1.715 10.344 -14.447 1.00 0.00 O ATOM 1730 CB GLU A 110 1.370 10.306 -14.509 1.00 0.00 C ATOM 1731 CG GLU A 110 2.437 11.376 -14.670 1.00 0.00 C ATOM 1732 CD GLU A 110 3.004 11.427 -16.076 1.00 0.00 C ATOM 1733 OE1 GLU A 110 2.238 11.196 -17.034 1.00 0.00 O ATOM 1734 OE2 GLU A 110 4.215 11.699 -16.217 1.00 0.00 O ATOM 0 H GLU A 110 1.703 9.383 -12.202 1.00 0.00 H new ATOM 0 HA GLU A 110 0.241 11.644 -13.263 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.854 9.342 -14.357 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.798 10.233 -15.434 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.013 12.348 -14.418 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.245 11.188 -13.963 1.00 0.00 H new ATOM 1741 N GLY A 111 -1.182 8.791 -12.909 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.425 8.064 -13.086 1.00 0.00 C ATOM 1743 C GLY A 111 -2.430 7.222 -14.346 1.00 0.00 C ATOM 1744 O GLY A 111 -3.464 7.069 -14.996 1.00 0.00 O ATOM 0 H GLY A 111 -0.548 8.393 -12.216 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.592 7.421 -12.222 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.254 8.771 -13.122 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.270 6.674 -14.695 1.00 0.00 N ATOM 1749 CA LYS A 112 -1.143 5.843 -15.886 1.00 0.00 C ATOM 1750 C LYS A 112 -1.707 4.448 -15.639 1.00 0.00 C ATOM 1751 O LYS A 112 -2.684 4.043 -16.266 1.00 0.00 O ATOM 1752 CB LYS A 112 0.324 5.745 -16.310 1.00 0.00 C ATOM 1753 CG LYS A 112 0.898 7.054 -16.823 1.00 0.00 C ATOM 1754 CD LYS A 112 2.108 6.821 -17.713 1.00 0.00 C ATOM 1755 CE LYS A 112 3.390 6.736 -16.899 1.00 0.00 C ATOM 1756 NZ LYS A 112 4.599 6.723 -17.769 1.00 0.00 N ATOM 0 H LYS A 112 -0.404 6.791 -14.169 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.716 6.310 -16.687 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.917 5.406 -15.461 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.419 4.987 -17.088 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.133 7.594 -17.381 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.181 7.684 -15.980 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.973 5.899 -18.279 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.189 7.631 -18.438 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.443 7.584 -16.216 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.373 5.834 -16.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 5.452 6.664 -17.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 4.561 5.900 -18.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.629 7.595 -18.334 1.00 0.00 H new ATOM 1770 N ASN A 113 -1.084 3.718 -14.719 1.00 0.00 N ATOM 1771 CA ASN A 113 -1.525 2.367 -14.388 1.00 0.00 C ATOM 1772 C ASN A 113 -2.365 2.366 -13.115 1.00 0.00 C ATOM 1773 O ASN A 113 -2.033 1.690 -12.141 1.00 0.00 O ATOM 1774 CB ASN A 113 -0.318 1.442 -14.218 1.00 0.00 C ATOM 1775 CG ASN A 113 0.158 0.864 -15.537 1.00 0.00 C ATOM 1776 OD1 ASN A 113 -0.421 1.132 -16.590 1.00 0.00 O ATOM 1777 ND2 ASN A 113 1.219 0.067 -15.485 1.00 0.00 N ATOM 0 H ASN A 113 -0.273 4.039 -14.190 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.142 2.001 -15.209 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.497 1.995 -13.752 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.580 0.629 -13.541 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.586 -0.351 -16.340 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.667 -0.127 -14.590 1.00 0.00 H new ATOM 1784 N MET A 114 -3.454 3.127 -13.130 1.00 0.00 N ATOM 1785 CA MET A 114 -4.342 3.212 -11.977 1.00 0.00 C ATOM 1786 C MET A 114 -4.815 1.826 -11.551 1.00 0.00 C ATOM 1787 O MET A 114 -5.002 1.561 -10.364 1.00 0.00 O ATOM 1788 CB MET A 114 -5.547 4.098 -12.298 1.00 0.00 C ATOM 1789 CG MET A 114 -6.108 4.825 -11.087 1.00 0.00 C ATOM 1790 SD MET A 114 -6.761 3.697 -9.841 1.00 0.00 S ATOM 1791 CE MET A 114 -5.911 4.282 -8.376 1.00 0.00 C ATOM 0 H MET A 114 -3.743 3.693 -13.928 1.00 0.00 H new ATOM 0 HA MET A 114 -3.784 3.655 -11.153 1.00 0.00 H new ATOM 0 HB2 MET A 114 -5.258 4.832 -13.050 1.00 0.00 H new ATOM 0 HB3 MET A 114 -6.332 3.483 -12.738 1.00 0.00 H new ATOM 0 HG2 MET A 114 -5.325 5.439 -10.641 1.00 0.00 H new ATOM 0 HG3 MET A 114 -6.899 5.502 -11.409 1.00 0.00 H new ATOM 0 HE1 MET A 114 -5.903 3.495 -7.621 1.00 0.00 H new ATOM 0 HE2 MET A 114 -4.886 4.549 -8.632 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.426 5.158 -7.982 1.00 0.00 H new ATOM 1801 N ALA A 115 -5.007 0.945 -12.528 1.00 0.00 N ATOM 1802 CA ALA A 115 -5.456 -0.414 -12.254 1.00 0.00 C ATOM 1803 C ALA A 115 -4.387 -1.206 -11.508 1.00 0.00 C ATOM 1804 O ALA A 115 -4.687 -2.196 -10.840 1.00 0.00 O ATOM 1805 CB ALA A 115 -5.828 -1.118 -13.550 1.00 0.00 C ATOM 0 H ALA A 115 -4.858 1.149 -13.516 1.00 0.00 H new ATOM 0 HA ALA A 115 -6.339 -0.357 -11.618 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.162 -2.132 -13.330 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.631 -0.571 -14.044 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.958 -1.156 -14.206 1.00 0.00 H new ATOM 1811 N CYS A 116 -3.140 -0.764 -11.626 1.00 0.00 N ATOM 1812 CA CYS A 116 -2.025 -1.432 -10.964 1.00 0.00 C ATOM 1813 C CYS A 116 -2.009 -1.113 -9.473 1.00 0.00 C ATOM 1814 O CYS A 116 -2.144 -2.005 -8.635 1.00 0.00 O ATOM 1815 CB CYS A 116 -0.700 -1.014 -11.602 1.00 0.00 C ATOM 1816 SG CYS A 116 0.734 -1.934 -10.997 1.00 0.00 S ATOM 0 H CYS A 116 -2.875 0.054 -12.174 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.154 -2.507 -11.086 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.772 -1.144 -12.682 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.540 0.049 -11.419 1.00 0.00 H new ATOM 0 HG CYS A 116 1.800 -1.539 -11.627 1.00 0.00 H new ATOM 1822 N VAL A 117 -1.840 0.165 -9.148 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.805 0.602 -7.758 1.00 0.00 C ATOM 1824 C VAL A 117 -3.008 0.072 -6.984 1.00 0.00 C ATOM 1825 O VAL A 117 -2.893 -0.294 -5.815 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.778 2.138 -7.653 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.704 2.761 -8.686 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -2.156 2.583 -6.248 1.00 0.00 C ATOM 0 H VAL A 117 -1.725 0.916 -9.829 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.890 0.199 -7.323 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.764 2.481 -7.857 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.671 3.847 -8.596 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.382 2.470 -9.686 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.723 2.414 -8.517 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -2.132 3.671 -6.192 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -3.160 2.230 -6.012 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.448 2.167 -5.532 1.00 0.00 H new ATOM 1838 N GLN A 118 -4.160 0.035 -7.646 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.384 -0.450 -7.020 1.00 0.00 C ATOM 1840 C GLN A 118 -5.168 -1.824 -6.394 1.00 0.00 C ATOM 1841 O GLN A 118 -5.458 -2.032 -5.215 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.516 -0.517 -8.047 1.00 0.00 C ATOM 1843 CG GLN A 118 -7.296 0.781 -8.178 1.00 0.00 C ATOM 1844 CD GLN A 118 -8.288 0.982 -7.048 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -9.205 0.034 -6.890 1.00 0.00 O flip ATOM 1846 NE2 GLN A 118 -8.231 1.977 -6.326 1.00 0.00 N flip ATOM 0 H GLN A 118 -4.271 0.335 -8.615 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.660 0.250 -6.231 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.099 -0.780 -9.019 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.202 -1.317 -7.768 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -6.599 1.619 -8.198 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.828 0.786 -9.129 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.509 2.681 -6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.905 2.098 -5.570 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.659 -2.758 -7.190 1.00 0.00 N ATOM 1856 CA ARG A 119 -4.406 -4.113 -6.714 1.00 0.00 C ATOM 1857 C ARG A 119 -3.295 -4.122 -5.667 1.00 0.00 C ATOM 1858 O ARG A 119 -3.445 -4.704 -4.592 1.00 0.00 O ATOM 1859 CB ARG A 119 -4.028 -5.024 -7.882 1.00 0.00 C ATOM 1860 CG ARG A 119 -3.687 -6.445 -7.461 1.00 0.00 C ATOM 1861 CD ARG A 119 -4.939 -7.291 -7.294 1.00 0.00 C ATOM 1862 NE ARG A 119 -5.558 -7.613 -8.578 1.00 0.00 N ATOM 1863 CZ ARG A 119 -6.773 -8.137 -8.697 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -7.496 -8.395 -7.617 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -7.267 -8.402 -9.900 1.00 0.00 N ATOM 0 H ARG A 119 -4.414 -2.602 -8.168 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.320 -4.486 -6.253 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.855 -5.053 -8.592 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.174 -4.594 -8.405 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.035 -6.900 -8.207 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.132 -6.425 -6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.686 -8.214 -6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -5.656 -6.758 -6.670 1.00 0.00 H new ATOM 0 HE ARG A 119 -5.028 -7.425 -9.429 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -7.120 -8.191 -6.691 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -8.429 -8.797 -7.712 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -6.714 -8.203 -10.734 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -8.200 -8.804 -9.991 1.00 0.00 H new ATOM 1879 N THR A 120 -2.180 -3.474 -5.989 1.00 0.00 N ATOM 1880 CA THR A 120 -1.043 -3.410 -5.079 1.00 0.00 C ATOM 1881 C THR A 120 -1.505 -3.295 -3.631 1.00 0.00 C ATOM 1882 O THR A 120 -0.969 -3.959 -2.743 1.00 0.00 O ATOM 1883 CB THR A 120 -0.126 -2.218 -5.409 1.00 0.00 C ATOM 1884 OG1 THR A 120 0.651 -2.507 -6.577 1.00 0.00 O ATOM 1885 CG2 THR A 120 0.800 -1.907 -4.243 1.00 0.00 C ATOM 0 H THR A 120 -2.040 -2.986 -6.874 1.00 0.00 H new ATOM 0 HA THR A 120 -0.483 -4.336 -5.207 1.00 0.00 H new ATOM 0 HB THR A 120 -0.754 -1.347 -5.596 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.342 -1.949 -7.321 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.438 -1.061 -4.500 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.206 -1.659 -3.363 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.420 -2.777 -4.029 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.502 -2.449 -3.398 1.00 0.00 N ATOM 1894 CA LEU A 121 -3.038 -2.247 -2.056 1.00 0.00 C ATOM 1895 C LEU A 121 -3.655 -3.533 -1.517 1.00 0.00 C ATOM 1896 O LEU A 121 -3.206 -4.073 -0.506 1.00 0.00 O ATOM 1897 CB LEU A 121 -4.083 -1.131 -2.065 1.00 0.00 C ATOM 1898 CG LEU A 121 -3.585 0.253 -2.484 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -4.718 1.266 -2.435 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -2.431 0.696 -1.597 1.00 0.00 C ATOM 0 H LEU A 121 -2.956 -1.891 -4.121 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.215 -1.959 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.891 -1.423 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.511 -1.054 -1.066 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.224 0.192 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -4.344 2.245 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.513 0.956 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -5.110 1.324 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -2.090 1.683 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.765 0.739 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.611 -0.016 -1.685 1.00 0.00 H new ATOM 1912 N MET A 122 -4.685 -4.021 -2.200 1.00 0.00 N ATOM 1913 CA MET A 122 -5.362 -5.246 -1.792 1.00 0.00 C ATOM 1914 C MET A 122 -4.364 -6.263 -1.247 1.00 0.00 C ATOM 1915 O MET A 122 -4.640 -6.954 -0.267 1.00 0.00 O ATOM 1916 CB MET A 122 -6.129 -5.848 -2.971 1.00 0.00 C ATOM 1917 CG MET A 122 -7.414 -5.107 -3.302 1.00 0.00 C ATOM 1918 SD MET A 122 -8.516 -4.960 -1.883 1.00 0.00 S ATOM 1919 CE MET A 122 -8.985 -6.671 -1.639 1.00 0.00 C ATOM 0 H MET A 122 -5.069 -3.587 -3.039 1.00 0.00 H new ATOM 0 HA MET A 122 -6.067 -4.995 -1.000 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.484 -5.851 -3.850 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.366 -6.888 -2.746 1.00 0.00 H new ATOM 0 HG2 MET A 122 -7.170 -4.111 -3.672 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.932 -5.628 -4.107 1.00 0.00 H new ATOM 0 HE1 MET A 122 -10.035 -6.723 -1.352 1.00 0.00 H new ATOM 0 HE2 MET A 122 -8.834 -7.225 -2.565 1.00 0.00 H new ATOM 0 HE3 MET A 122 -8.371 -7.108 -0.851 1.00 0.00 H new ATOM 1929 N ASN A 123 -3.203 -6.348 -1.888 1.00 0.00 N ATOM 1930 CA ASN A 123 -2.164 -7.281 -1.468 1.00 0.00 C ATOM 1931 C ASN A 123 -1.714 -6.987 -0.040 1.00 0.00 C ATOM 1932 O ASN A 123 -1.672 -7.881 0.806 1.00 0.00 O ATOM 1933 CB ASN A 123 -0.967 -7.206 -2.418 1.00 0.00 C ATOM 1934 CG ASN A 123 -1.101 -8.154 -3.594 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -1.274 -9.360 -3.417 1.00 0.00 O ATOM 1936 ND2 ASN A 123 -1.022 -7.611 -4.803 1.00 0.00 N ATOM 0 H ASN A 123 -2.958 -5.782 -2.700 1.00 0.00 H new ATOM 0 HA ASN A 123 -2.581 -8.288 -1.499 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -0.863 -6.186 -2.787 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -0.055 -7.440 -1.868 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -1.105 -8.199 -5.632 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -0.878 -6.606 -4.902 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.379 -5.728 0.221 1.00 0.00 N ATOM 1944 CA LEU A 124 -0.932 -5.315 1.547 1.00 0.00 C ATOM 1945 C LEU A 124 -1.910 -5.781 2.621 1.00 0.00 C ATOM 1946 O LEU A 124 -1.504 -6.206 3.701 1.00 0.00 O ATOM 1947 CB LEU A 124 -0.781 -3.793 1.604 1.00 0.00 C ATOM 1948 CG LEU A 124 0.101 -3.248 2.728 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.570 -3.343 2.346 1.00 0.00 C ATOM 1950 CD2 LEU A 124 -0.276 -1.810 3.052 1.00 0.00 C ATOM 0 H LEU A 124 -1.408 -4.976 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 124 0.036 -5.778 1.738 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.374 -3.452 0.652 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.773 -3.353 1.702 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.062 -3.854 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.183 -2.951 3.157 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.832 -4.385 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.749 -2.761 1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.362 -1.439 3.854 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.142 -1.190 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.318 -1.770 3.369 1.00 0.00 H new ATOM 1962 N GLY A 125 -3.201 -5.700 2.314 1.00 0.00 N ATOM 1963 CA GLY A 125 -4.217 -6.118 3.262 1.00 0.00 C ATOM 1964 C GLY A 125 -4.267 -7.624 3.430 1.00 0.00 C ATOM 1965 O GLY A 125 -4.045 -8.141 4.524 1.00 0.00 O ATOM 0 H GLY A 125 -3.561 -5.352 1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.021 -5.654 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.191 -5.760 2.928 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.561 -8.330 2.343 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.636 -9.779 2.396 1.00 0.00 C ATOM 1971 C GLY A 126 -3.454 -10.394 3.119 1.00 0.00 C ATOM 1972 O GLY A 126 -3.602 -11.386 3.833 1.00 0.00 O ATOM 0 H GLY A 126 -4.749 -7.925 1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.558 -10.074 2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.684 -10.175 1.382 1.00 0.00 H new ATOM 1976 N LEU A 127 -2.278 -9.807 2.932 1.00 0.00 N ATOM 1977 CA LEU A 127 -1.064 -10.305 3.570 1.00 0.00 C ATOM 1978 C LEU A 127 -1.110 -10.080 5.078 1.00 0.00 C ATOM 1979 O LEU A 127 -0.932 -11.014 5.860 1.00 0.00 O ATOM 1980 CB LEU A 127 0.167 -9.615 2.978 1.00 0.00 C ATOM 1981 CG LEU A 127 0.530 -10.006 1.544 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.214 -8.848 0.833 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.420 -11.240 1.537 1.00 0.00 C ATOM 0 H LEU A 127 -2.139 -8.985 2.344 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.998 -11.377 3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.006 -8.537 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.022 -9.828 3.619 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.389 -10.243 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.465 -9.144 -0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.543 -7.990 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.125 -8.580 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 127 1.668 -11.504 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.336 -11.031 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 127 0.894 -12.071 2.008 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.352 -8.836 5.479 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.426 -8.490 6.893 1.00 0.00 C ATOM 1997 C ALA A 128 -2.288 -9.489 7.658 1.00 0.00 C ATOM 1998 O ALA A 128 -1.886 -9.997 8.705 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.972 -7.080 7.063 1.00 0.00 C ATOM 0 H ALA A 128 -1.500 -8.051 4.844 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.418 -8.530 7.305 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -2.022 -6.835 8.124 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.315 -6.372 6.557 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.970 -7.022 6.630 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.476 -9.766 7.129 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.395 -10.704 7.762 1.00 0.00 C ATOM 2007 C VAL A 129 -3.768 -12.088 7.886 1.00 0.00 C ATOM 2008 O VAL A 129 -4.161 -12.885 8.737 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.713 -10.818 6.973 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.715 -11.677 7.729 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.286 -9.438 6.691 1.00 0.00 C ATOM 0 H VAL A 129 -3.824 -9.354 6.263 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.609 -10.315 8.757 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.504 -11.301 6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.640 -11.746 7.156 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.302 -12.675 7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.922 -11.226 8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.217 -9.538 6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.481 -8.925 7.633 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.572 -8.860 6.105 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.789 -12.367 7.031 1.00 0.00 N ATOM 2022 CA ALA A 130 -2.105 -13.654 7.047 1.00 0.00 C ATOM 2023 C ALA A 130 -0.896 -13.623 7.975 1.00 0.00 C ATOM 2024 O ALA A 130 0.015 -14.441 7.852 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.681 -14.044 5.638 1.00 0.00 C ATOM 0 H ALA A 130 -2.452 -11.719 6.319 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.801 -14.402 7.426 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.171 -15.007 5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.562 -14.117 5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -1.006 -13.287 5.239 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.895 -12.672 8.905 1.00 0.00 N ATOM 2032 CA ARG A 131 0.204 -12.533 9.853 1.00 0.00 C ATOM 2033 C ARG A 131 -0.265 -12.829 11.275 1.00 0.00 C ATOM 2034 O ARG A 131 -1.410 -13.226 11.492 1.00 0.00 O ATOM 2035 CB ARG A 131 0.792 -11.123 9.781 1.00 0.00 C ATOM 2036 CG ARG A 131 1.029 -10.633 8.362 1.00 0.00 C ATOM 2037 CD ARG A 131 2.414 -11.015 7.864 1.00 0.00 C ATOM 2038 NE ARG A 131 3.446 -10.119 8.378 1.00 0.00 N ATOM 2039 CZ ARG A 131 4.724 -10.461 8.496 1.00 0.00 C ATOM 2040 NH1 ARG A 131 5.125 -11.674 8.139 1.00 0.00 N ATOM 2041 NH2 ARG A 131 5.605 -9.590 8.972 1.00 0.00 N ATOM 0 H ARG A 131 -1.642 -11.988 9.022 1.00 0.00 H new ATOM 0 HA ARG A 131 0.976 -13.255 9.586 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.118 -10.431 10.287 1.00 0.00 H new ATOM 0 HB3 ARG A 131 1.736 -11.104 10.325 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.274 -11.055 7.699 1.00 0.00 H new ATOM 0 HG3 ARG A 131 0.914 -9.550 8.326 1.00 0.00 H new ATOM 0 HD2 ARG A 131 2.639 -12.038 8.166 1.00 0.00 H new ATOM 0 HD3 ARG A 131 2.426 -10.995 6.774 1.00 0.00 H new ATOM 0 HE ARG A 131 3.170 -9.179 8.662 1.00 0.00 H new ATOM 0 HH11 ARG A 131 4.451 -12.347 7.773 1.00 0.00 H new ATOM 0 HH12 ARG A 131 6.107 -11.934 8.231 1.00 0.00 H new ATOM 0 HH21 ARG A 131 5.301 -8.656 9.248 1.00 0.00 H new ATOM 0 HH22 ARG A 131 6.586 -9.854 9.062 1.00 0.00 H new ATOM 2055 N ASP A 132 0.628 -12.632 12.239 1.00 0.00 N ATOM 2056 CA ASP A 132 0.306 -12.877 13.640 1.00 0.00 C ATOM 2057 C ASP A 132 0.753 -11.708 14.512 1.00 0.00 C ATOM 2058 O ASP A 132 0.710 -11.785 15.740 1.00 0.00 O ATOM 2059 CB ASP A 132 0.968 -14.169 14.120 1.00 0.00 C ATOM 2060 CG ASP A 132 0.567 -15.370 13.285 1.00 0.00 C ATOM 2061 OD1 ASP A 132 0.829 -15.358 12.064 1.00 0.00 O ATOM 2062 OD2 ASP A 132 -0.009 -16.321 13.854 1.00 0.00 O ATOM 0 H ASP A 132 1.580 -12.304 12.076 1.00 0.00 H new ATOM 0 HA ASP A 132 -0.776 -12.979 13.726 1.00 0.00 H new ATOM 0 HB2 ASP A 132 2.051 -14.053 14.087 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.698 -14.347 15.161 1.00 0.00 H new ATOM 2067 N ASP A 133 1.182 -10.627 13.870 1.00 0.00 N ATOM 2068 CA ASP A 133 1.637 -9.442 14.587 1.00 0.00 C ATOM 2069 C ASP A 133 0.508 -8.843 15.419 1.00 0.00 C ATOM 2070 O ASP A 133 0.736 -8.313 16.505 1.00 0.00 O ATOM 2071 CB ASP A 133 2.172 -8.399 13.604 1.00 0.00 C ATOM 2072 CG ASP A 133 3.636 -8.614 13.272 1.00 0.00 C ATOM 2073 OD1 ASP A 133 3.930 -9.486 12.428 1.00 0.00 O ATOM 2074 OD2 ASP A 133 4.486 -7.910 13.856 1.00 0.00 O ATOM 0 H ASP A 133 1.224 -10.547 12.854 1.00 0.00 H new ATOM 0 HA ASP A 133 2.440 -9.741 15.260 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.585 -8.434 12.686 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.041 -7.403 14.028 1.00 0.00 H new ATOM 2079 N GLY A 134 -0.714 -8.930 14.899 1.00 0.00 N ATOM 2080 CA GLY A 134 -1.861 -8.391 15.607 1.00 0.00 C ATOM 2081 C GLY A 134 -1.914 -6.877 15.557 1.00 0.00 C ATOM 2082 O GLY A 134 -2.270 -6.228 16.541 1.00 0.00 O ATOM 0 H GLY A 134 -0.929 -9.364 14.001 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.775 -8.798 15.175 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -1.828 -8.716 16.647 1.00 0.00 H new ATOM 2086 N LEU A 135 -1.557 -6.312 14.409 1.00 0.00 N ATOM 2087 CA LEU A 135 -1.564 -4.864 14.234 1.00 0.00 C ATOM 2088 C LEU A 135 -2.649 -4.439 13.250 1.00 0.00 C ATOM 2089 O LEU A 135 -3.294 -3.405 13.428 1.00 0.00 O ATOM 2090 CB LEU A 135 -0.198 -4.383 13.744 1.00 0.00 C ATOM 2091 CG LEU A 135 1.009 -4.837 14.566 1.00 0.00 C ATOM 2092 CD1 LEU A 135 2.299 -4.604 13.794 1.00 0.00 C ATOM 2093 CD2 LEU A 135 1.046 -4.113 15.903 1.00 0.00 C ATOM 0 H LEU A 135 -1.259 -6.835 13.585 1.00 0.00 H new ATOM 0 HA LEU A 135 -1.778 -4.407 15.200 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -0.062 -4.724 12.718 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -0.206 -3.293 13.720 1.00 0.00 H new ATOM 0 HG LEU A 135 0.913 -5.906 14.757 1.00 0.00 H new ATOM 0 HD11 LEU A 135 3.147 -4.933 14.395 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.273 -5.170 12.863 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.403 -3.542 13.571 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.911 -4.448 16.475 1.00 0.00 H new ATOM 0 HD22 LEU A 135 1.118 -3.039 15.733 1.00 0.00 H new ATOM 0 HD23 LEU A 135 0.136 -4.332 16.461 1.00 0.00 H new ATOM 2105 N PHE A 136 -2.848 -5.244 12.212 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.856 -4.953 11.200 1.00 0.00 C ATOM 2107 C PHE A 136 -5.100 -4.337 11.833 1.00 0.00 C ATOM 2108 O PHE A 136 -5.416 -4.603 12.992 1.00 0.00 O ATOM 2109 CB PHE A 136 -4.233 -6.228 10.443 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.612 -6.188 9.850 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.729 -6.391 10.645 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.793 -5.946 8.498 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.999 -6.355 10.102 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -7.061 -5.908 7.949 1.00 0.00 C ATOM 2115 CZ PHE A 136 -8.165 -6.112 8.752 1.00 0.00 C ATOM 0 H PHE A 136 -2.324 -6.104 12.050 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.433 -4.234 10.498 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.508 -6.395 9.646 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -4.163 -7.078 11.122 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.605 -6.580 11.701 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.933 -5.785 7.865 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.861 -6.517 10.732 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -7.188 -5.719 6.893 1.00 0.00 H new ATOM 0 HZ PHE A 136 -9.157 -6.082 8.326 1.00 0.00 H new ATOM 2125 N SER A 137 -5.802 -3.512 11.062 1.00 0.00 N ATOM 2126 CA SER A 137 -7.010 -2.854 11.548 1.00 0.00 C ATOM 2127 C SER A 137 -8.133 -2.952 10.520 1.00 0.00 C ATOM 2128 O SER A 137 -7.917 -3.382 9.388 1.00 0.00 O ATOM 2129 CB SER A 137 -6.722 -1.386 11.868 1.00 0.00 C ATOM 2130 OG SER A 137 -6.220 -1.240 13.185 1.00 0.00 O ATOM 0 H SER A 137 -5.555 -3.283 10.099 1.00 0.00 H new ATOM 0 HA SER A 137 -7.330 -3.361 12.458 1.00 0.00 H new ATOM 0 HB2 SER A 137 -6.000 -0.990 11.154 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.635 -0.800 11.756 1.00 0.00 H new ATOM 0 HG SER A 137 -6.042 -0.293 13.364 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.334 -2.550 10.925 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.474 -2.601 10.028 1.00 0.00 C ATOM 2138 C GLY A 138 -11.185 -3.939 10.069 1.00 0.00 C ATOM 2139 O GLY A 138 -11.329 -4.540 11.134 1.00 0.00 O ATOM 0 H GLY A 138 -9.538 -2.190 11.857 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.177 -1.811 10.294 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -10.140 -2.401 9.010 1.00 0.00 H new ATOM 2143 N ASP A 139 -11.633 -4.405 8.909 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.334 -5.680 8.816 1.00 0.00 C ATOM 2145 C ASP A 139 -11.481 -6.718 8.093 1.00 0.00 C ATOM 2146 O ASP A 139 -10.959 -6.478 7.004 1.00 0.00 O ATOM 2147 CB ASP A 139 -13.668 -5.501 8.089 1.00 0.00 C ATOM 2148 CG ASP A 139 -14.756 -4.966 8.999 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -14.447 -4.106 9.850 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -15.916 -5.407 8.860 1.00 0.00 O ATOM 0 H ASP A 139 -11.523 -3.919 8.019 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.526 -6.036 9.828 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -13.532 -4.819 7.250 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -13.984 -6.458 7.674 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.335 -7.899 8.711 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.546 -8.997 8.145 1.00 0.00 C ATOM 2157 C PRO A 140 -11.206 -9.611 6.915 1.00 0.00 C ATOM 2158 O PRO A 140 -10.544 -10.247 6.096 1.00 0.00 O ATOM 2159 CB PRO A 140 -10.486 -10.016 9.285 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.697 -9.736 10.107 1.00 0.00 C ATOM 2161 CD PRO A 140 -11.930 -8.254 10.011 1.00 0.00 C ATOM 0 HA PRO A 140 -9.567 -8.661 7.804 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.493 -11.037 8.904 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.574 -9.901 9.871 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -12.558 -10.291 9.735 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -11.545 -10.041 11.142 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -12.992 -8.011 10.047 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.453 -7.718 10.831 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.515 -9.417 6.793 1.00 0.00 N ATOM 2170 CA ASN A 141 -13.265 -9.952 5.663 1.00 0.00 C ATOM 2171 C ASN A 141 -12.819 -9.302 4.357 1.00 0.00 C ATOM 2172 O ASN A 141 -12.588 -9.985 3.359 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.765 -9.732 5.869 1.00 0.00 C ATOM 2174 CG ASN A 141 -15.373 -10.746 6.818 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -14.782 -10.879 8.000 1.00 0.00 O flip ATOM 2176 ND2 ASN A 141 -16.364 -11.401 6.493 1.00 0.00 N flip ATOM 0 H ASN A 141 -13.078 -8.893 7.463 1.00 0.00 H new ATOM 0 HA ASN A 141 -13.067 -11.022 5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.932 -8.728 6.259 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -15.273 -9.789 4.906 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -16.786 -11.266 5.574 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -16.763 -12.078 7.143 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.700 -7.980 4.371 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.280 -7.237 3.188 1.00 0.00 C ATOM 2185 C TRP A 142 -11.271 -8.037 2.373 1.00 0.00 C ATOM 2186 O TRP A 142 -11.436 -8.216 1.166 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.675 -5.892 3.593 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.685 -4.926 4.137 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -14.022 -4.898 3.864 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.436 -3.848 5.046 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.620 -3.867 4.548 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -13.669 -3.209 5.281 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.293 -3.362 5.686 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -13.788 -2.109 6.127 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.412 -2.270 6.525 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -12.652 -1.654 6.740 1.00 0.00 C ATOM 0 H TRP A 142 -12.888 -7.400 5.188 1.00 0.00 H new ATOM 0 HA TRP A 142 -13.160 -7.060 2.570 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -10.903 -6.060 4.344 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -11.186 -5.446 2.727 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.535 -5.585 3.207 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.612 -3.630 4.515 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.333 -3.831 5.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -14.743 -1.632 6.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -10.534 -1.885 7.023 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -12.713 -0.803 7.403 1.00 0.00 H new ATOM 2207 N PHE A 143 -10.226 -8.517 3.038 1.00 0.00 N ATOM 2208 CA PHE A 143 -9.189 -9.299 2.374 1.00 0.00 C ATOM 2209 C PHE A 143 -9.254 -10.762 2.801 1.00 0.00 C ATOM 2210 O PHE A 143 -9.152 -11.096 3.981 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.807 -8.724 2.690 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.777 -7.223 2.733 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -8.265 -6.539 3.835 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -7.262 -6.496 1.672 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -8.239 -5.158 3.879 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -7.233 -5.115 1.710 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.723 -4.445 2.814 1.00 0.00 C ATOM 0 H PHE A 143 -10.074 -8.378 4.037 1.00 0.00 H new ATOM 0 HA PHE A 143 -9.360 -9.245 1.299 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.471 -9.114 3.651 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -7.097 -9.072 1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -8.671 -7.092 4.669 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -6.879 -7.014 0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -8.621 -4.637 4.744 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -6.827 -4.560 0.877 1.00 0.00 H new ATOM 0 HZ PHE A 143 -7.703 -3.366 2.845 1.00 0.00 H new ATOM 2227 N PRO A 144 -9.428 -11.658 1.817 1.00 0.00 N ATOM 2228 CA PRO A 144 -9.510 -13.100 2.066 1.00 0.00 C ATOM 2229 C PRO A 144 -8.173 -13.691 2.500 1.00 0.00 C ATOM 2230 O PRO A 144 -7.148 -13.477 1.851 1.00 0.00 O ATOM 2231 CB PRO A 144 -9.931 -13.670 0.709 1.00 0.00 C ATOM 2232 CG PRO A 144 -9.452 -12.671 -0.287 1.00 0.00 C ATOM 2233 CD PRO A 144 -9.557 -11.331 0.387 1.00 0.00 C ATOM 0 HA PRO A 144 -10.200 -13.335 2.876 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -9.484 -14.649 0.535 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -11.012 -13.799 0.652 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -8.424 -12.879 -0.585 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -10.058 -12.701 -1.192 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -8.770 -10.653 0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -10.508 -10.845 0.170 1.00 0.00 H new