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 163:sc= -1.65! (180deg=-2.42) USER MOD Set 1.2: A 118 GLN : amide:sc= -3.79! C(o=-5.4!,f=-7.6!) USER MOD Set 2.1: A 76 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 55 CYS SG : rot 62:sc= -2.16 USER MOD Set 3.2: A 84 GLN : amide:sc= 0.0975 K(o=-2.1,f=-3.2) USER MOD Set 4.1: A 38 GLN : amide:sc= -0.171 X(o=-3.9,f=-4.1) USER MOD Set 4.2: A 43 ASN : amide:sc= -3.75! C(o=-3.9!,f=-5.3!) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.864 F(o=-1.8!,f=-0.86) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot -92:sc= 0.506 USER MOD Single : A 28 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A 29 GLN : amide:sc= -3.09 K(o=-3.1,f=-5!) USER MOD Single : A 30 CYS SG : rot 86:sc= -1.01 USER MOD Single : A 32 LYS NZ :NH3+ -151:sc= -0.328 (180deg=-1.26!) USER MOD Single : A 45 GLN : amide:sc= -3.26 K(o=-3.3,f=-4.1!) USER MOD Single : A 46 ASN : amide:sc= -0.0517 K(o=-0.052,f=-1.4!) USER MOD Single : A 49 LYS NZ :NH3+ -129:sc= 0.0562 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 59 ASN : amide:sc= -10.3! C(o=-10!,f=-13!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -4.31! C(o=-4.3!,f=-7.3!) USER MOD Single : A 70 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0526) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 164:sc= -0.0817 (180deg=-0.427) USER MOD Single : A 81 GLN : amide:sc= -6.11! C(o=-6.1!,f=-13!) USER MOD Single : A 82 MET CE :methyl -130:sc= -1.48 (180deg=-2.33) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.7!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot -105:sc= -1.09 USER MOD Single : A 98 ASN : amide:sc= 0.01 K(o=0.01,f=-4.7!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.113 K(o=-0.11,f=-3.2!) 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= -2.36 K(o=-2.4,f=-4.1) USER MOD Single : A 116 CYS SG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot -46:sc= 0.717 USER MOD Single : A 122 MET CE :methyl -127:sc= -1.01 (180deg=-3.85!) USER MOD Single : A 123 ASN : amide:sc= 0.297 K(o=0.3,f=-0.91) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 221 N ASP A 17 -15.539 -2.656 -6.702 1.00 0.00 N ATOM 222 CA ASP A 17 -15.754 -3.414 -5.476 1.00 0.00 C ATOM 223 C ASP A 17 -14.519 -3.363 -4.581 1.00 0.00 C ATOM 224 O ASP A 17 -14.628 -3.221 -3.362 1.00 0.00 O ATOM 225 CB ASP A 17 -16.101 -4.868 -5.804 1.00 0.00 C ATOM 226 CG ASP A 17 -14.869 -5.743 -5.924 1.00 0.00 C ATOM 227 OD1 ASP A 17 -14.239 -5.735 -7.002 1.00 0.00 O ATOM 228 OD2 ASP A 17 -14.536 -6.438 -4.941 1.00 0.00 O ATOM 0 HA ASP A 17 -16.588 -2.961 -4.940 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -16.753 -5.267 -5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.661 -4.903 -6.739 1.00 0.00 H new ATOM 233 N LEU A 18 -13.346 -3.479 -5.194 1.00 0.00 N ATOM 234 CA LEU A 18 -12.090 -3.447 -4.453 1.00 0.00 C ATOM 235 C LEU A 18 -11.765 -2.029 -3.994 1.00 0.00 C ATOM 236 O LEU A 18 -11.236 -1.826 -2.902 1.00 0.00 O ATOM 237 CB LEU A 18 -10.951 -3.989 -5.318 1.00 0.00 C ATOM 238 CG LEU A 18 -11.029 -5.473 -5.678 1.00 0.00 C ATOM 239 CD1 LEU A 18 -9.909 -5.850 -6.635 1.00 0.00 C ATOM 240 CD2 LEU A 18 -10.970 -6.330 -4.421 1.00 0.00 C ATOM 0 H LEU A 18 -13.239 -3.596 -6.202 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.200 -4.078 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.918 -3.413 -6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.010 -3.811 -4.798 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.981 -5.657 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.981 -6.910 -6.880 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.996 -5.260 -7.547 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.946 -5.651 -6.165 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.027 -7.383 -4.696 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.033 -6.142 -3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.808 -6.079 -3.770 1.00 0.00 H new ATOM 252 N GLU A 19 -12.086 -1.052 -4.836 1.00 0.00 N ATOM 253 CA GLU A 19 -11.829 0.347 -4.515 1.00 0.00 C ATOM 254 C GLU A 19 -12.631 0.781 -3.292 1.00 0.00 C ATOM 255 O GLU A 19 -12.063 1.123 -2.255 1.00 0.00 O ATOM 256 CB GLU A 19 -12.176 1.239 -5.709 1.00 0.00 C ATOM 257 CG GLU A 19 -12.363 2.702 -5.342 1.00 0.00 C ATOM 258 CD GLU A 19 -13.788 3.022 -4.932 1.00 0.00 C ATOM 259 OE1 GLU A 19 -14.712 2.730 -5.718 1.00 0.00 O ATOM 260 OE2 GLU A 19 -13.977 3.565 -3.823 1.00 0.00 O ATOM 0 H GLU A 19 -12.524 -1.203 -5.745 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.768 0.452 -4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.385 1.158 -6.454 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.090 0.870 -6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.688 2.957 -4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.085 3.325 -6.192 1.00 0.00 H new ATOM 267 N GLN A 20 -13.954 0.765 -3.422 1.00 0.00 N ATOM 268 CA GLN A 20 -14.834 1.158 -2.328 1.00 0.00 C ATOM 269 C GLN A 20 -14.308 0.639 -0.994 1.00 0.00 C ATOM 270 O GLN A 20 -14.329 1.351 0.011 1.00 0.00 O ATOM 271 CB GLN A 20 -16.250 0.632 -2.571 1.00 0.00 C ATOM 272 CG GLN A 20 -16.308 -0.866 -2.822 1.00 0.00 C ATOM 273 CD GLN A 20 -17.717 -1.358 -3.091 1.00 0.00 C ATOM 274 OE1 GLN A 20 -18.108 -1.368 -4.360 1.00 0.00 O flip ATOM 275 NE2 GLN A 20 -18.446 -1.724 -2.169 1.00 0.00 N flip ATOM 0 H GLN A 20 -14.440 0.484 -4.274 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.860 2.247 -2.289 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.871 0.872 -1.708 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.680 1.152 -3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.672 -1.113 -3.672 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.902 -1.392 -1.957 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.104 -1.700 -1.208 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.392 -2.052 -2.366 1.00 0.00 H new ATOM 284 N ILE A 21 -13.838 -0.604 -0.991 1.00 0.00 N ATOM 285 CA ILE A 21 -13.306 -1.216 0.220 1.00 0.00 C ATOM 286 C ILE A 21 -11.969 -0.596 0.608 1.00 0.00 C ATOM 287 O ILE A 21 -11.711 -0.336 1.784 1.00 0.00 O ATOM 288 CB ILE A 21 -13.124 -2.736 0.048 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.480 -3.414 -0.160 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.412 -3.324 1.258 1.00 0.00 C ATOM 291 CD1 ILE A 21 -14.372 -4.867 -0.567 1.00 0.00 C ATOM 0 H ILE A 21 -13.815 -1.207 -1.814 1.00 0.00 H new ATOM 0 HA ILE A 21 -14.032 -1.032 1.012 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.510 -2.916 -0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.057 -3.345 0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -15.035 -2.871 -0.925 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.291 -4.399 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.432 -2.859 1.365 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -13.003 -3.136 2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.371 -5.284 -0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.823 -4.942 -1.505 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.845 -5.424 0.208 1.00 0.00 H new ATOM 303 N LEU A 22 -11.122 -0.359 -0.387 1.00 0.00 N ATOM 304 CA LEU A 22 -9.810 0.234 -0.150 1.00 0.00 C ATOM 305 C LEU A 22 -9.930 1.512 0.673 1.00 0.00 C ATOM 306 O LEU A 22 -9.265 1.668 1.697 1.00 0.00 O ATOM 307 CB LEU A 22 -9.116 0.534 -1.480 1.00 0.00 C ATOM 308 CG LEU A 22 -8.269 -0.597 -2.066 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.889 -0.289 -3.505 1.00 0.00 C ATOM 310 CD2 LEU A 22 -7.024 -0.823 -1.220 1.00 0.00 C ATOM 0 H LEU A 22 -11.320 -0.568 -1.366 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.211 -0.483 0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.877 0.807 -2.211 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.477 1.407 -1.345 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.862 -1.512 -2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.287 -1.105 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.793 -0.178 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.315 0.637 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.433 -1.631 -1.651 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.429 0.090 -1.197 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.317 -1.090 -0.205 1.00 0.00 H new ATOM 322 N ILE A 23 -10.785 2.423 0.220 1.00 0.00 N ATOM 323 CA ILE A 23 -10.995 3.686 0.916 1.00 0.00 C ATOM 324 C ILE A 23 -11.446 3.453 2.354 1.00 0.00 C ATOM 325 O ILE A 23 -11.019 4.155 3.270 1.00 0.00 O ATOM 326 CB ILE A 23 -12.041 4.558 0.197 1.00 0.00 C ATOM 327 CG1 ILE A 23 -11.644 4.767 -1.266 1.00 0.00 C ATOM 328 CG2 ILE A 23 -12.193 5.896 0.906 1.00 0.00 C ATOM 329 CD1 ILE A 23 -12.708 5.462 -2.087 1.00 0.00 C ATOM 0 H ILE A 23 -11.343 2.310 -0.626 1.00 0.00 H new ATOM 0 HA ILE A 23 -10.038 4.208 0.918 1.00 0.00 H new ATOM 0 HB ILE A 23 -13.001 4.043 0.224 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.726 5.353 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.424 3.799 -1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.936 6.501 0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.516 5.729 1.933 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.236 6.418 0.907 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.359 5.577 -3.113 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.621 4.866 -2.079 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.912 6.444 -1.661 1.00 0.00 H new ATOM 341 N GLN A 24 -12.310 2.461 2.544 1.00 0.00 N ATOM 342 CA GLN A 24 -12.818 2.134 3.871 1.00 0.00 C ATOM 343 C GLN A 24 -11.700 1.616 4.769 1.00 0.00 C ATOM 344 O GLN A 24 -11.646 1.936 5.957 1.00 0.00 O ATOM 345 CB GLN A 24 -13.933 1.091 3.771 1.00 0.00 C ATOM 346 CG GLN A 24 -15.281 1.677 3.385 1.00 0.00 C ATOM 347 CD GLN A 24 -16.443 0.809 3.827 1.00 0.00 C ATOM 348 OE1 GLN A 24 -17.133 1.123 4.798 1.00 0.00 O ATOM 349 NE2 GLN A 24 -16.666 -0.290 3.116 1.00 0.00 N ATOM 0 H GLN A 24 -12.673 1.870 1.796 1.00 0.00 H new ATOM 0 HA GLN A 24 -13.221 3.045 4.313 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.650 0.338 3.036 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.029 0.581 4.729 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.383 2.667 3.829 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -15.320 1.807 2.303 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -16.069 -0.512 2.319 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -17.434 -0.913 3.367 1.00 0.00 H new ATOM 358 N TRP A 25 -10.810 0.814 4.195 1.00 0.00 N ATOM 359 CA TRP A 25 -9.693 0.251 4.945 1.00 0.00 C ATOM 360 C TRP A 25 -8.614 1.302 5.184 1.00 0.00 C ATOM 361 O TRP A 25 -8.338 1.671 6.326 1.00 0.00 O ATOM 362 CB TRP A 25 -9.101 -0.944 4.197 1.00 0.00 C ATOM 363 CG TRP A 25 -7.856 -1.485 4.832 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.718 -1.932 6.115 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.573 -1.634 4.213 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.427 -2.349 6.331 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.705 -2.177 5.180 1.00 0.00 C ATOM 368 CE3 TRP A 25 -6.075 -1.362 2.936 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.367 -2.452 4.908 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.747 -1.636 2.668 1.00 0.00 C ATOM 371 CH2 TRP A 25 -3.906 -2.177 3.649 1.00 0.00 C ATOM 0 H TRP A 25 -10.840 0.539 3.213 1.00 0.00 H new ATOM 0 HA TRP A 25 -10.068 -0.084 5.912 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.847 -1.737 4.145 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -8.878 -0.648 3.172 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.508 -1.954 6.851 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -6.065 -2.726 7.207 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.716 -0.946 2.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.717 -2.867 5.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.351 -1.429 1.685 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.873 -2.381 3.407 1.00 0.00 H new ATOM 382 N ILE A 26 -8.008 1.779 4.102 1.00 0.00 N ATOM 383 CA ILE A 26 -6.960 2.787 4.196 1.00 0.00 C ATOM 384 C ILE A 26 -7.278 3.811 5.281 1.00 0.00 C ATOM 385 O ILE A 26 -6.465 4.064 6.170 1.00 0.00 O ATOM 386 CB ILE A 26 -6.763 3.521 2.856 1.00 0.00 C ATOM 387 CG1 ILE A 26 -6.333 2.534 1.769 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.735 4.632 3.007 1.00 0.00 C ATOM 389 CD1 ILE A 26 -6.453 3.090 0.367 1.00 0.00 C ATOM 0 H ILE A 26 -8.225 1.483 3.150 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.040 2.262 4.453 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.712 3.969 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.299 2.238 1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.941 1.632 1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.607 5.141 2.052 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.078 5.346 3.756 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.782 4.206 3.322 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.131 2.337 -0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.491 3.360 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.824 3.975 0.271 1.00 0.00 H new ATOM 401 N THR A 27 -8.469 4.397 5.203 1.00 0.00 N ATOM 402 CA THR A 27 -8.896 5.393 6.178 1.00 0.00 C ATOM 403 C THR A 27 -8.881 4.821 7.591 1.00 0.00 C ATOM 404 O THR A 27 -8.529 5.512 8.548 1.00 0.00 O ATOM 405 CB THR A 27 -10.310 5.916 5.863 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.274 4.877 6.066 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.395 6.420 4.431 1.00 0.00 C ATOM 0 H THR A 27 -9.155 4.199 4.475 1.00 0.00 H new ATOM 0 HA THR A 27 -8.188 6.220 6.116 1.00 0.00 H new ATOM 0 HB THR A 27 -10.524 6.746 6.537 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.423 4.400 5.223 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.403 6.784 4.233 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.681 7.231 4.288 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.162 5.606 3.744 1.00 0.00 H new ATOM 415 N THR A 28 -9.263 3.554 7.716 1.00 0.00 N ATOM 416 CA THR A 28 -9.294 2.889 9.012 1.00 0.00 C ATOM 417 C THR A 28 -7.885 2.585 9.508 1.00 0.00 C ATOM 418 O THR A 28 -7.465 3.080 10.553 1.00 0.00 O ATOM 419 CB THR A 28 -10.099 1.577 8.952 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.479 1.861 8.700 1.00 0.00 O ATOM 421 CG2 THR A 28 -9.965 0.800 10.253 1.00 0.00 C ATOM 0 H THR A 28 -9.555 2.968 6.934 1.00 0.00 H new ATOM 0 HA THR A 28 -9.781 3.574 9.706 1.00 0.00 H new ATOM 0 HB THR A 28 -9.700 0.968 8.141 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.608 2.034 7.744 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.542 -0.122 10.187 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.916 0.560 10.427 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.341 1.405 11.078 1.00 0.00 H new ATOM 429 N GLN A 29 -7.159 1.769 8.750 1.00 0.00 N ATOM 430 CA GLN A 29 -5.796 1.400 9.113 1.00 0.00 C ATOM 431 C GLN A 29 -4.978 2.634 9.481 1.00 0.00 C ATOM 432 O GLN A 29 -4.338 2.675 10.532 1.00 0.00 O ATOM 433 CB GLN A 29 -5.123 0.652 7.960 1.00 0.00 C ATOM 434 CG GLN A 29 -3.672 0.294 8.233 1.00 0.00 C ATOM 435 CD GLN A 29 -3.471 -0.331 9.600 1.00 0.00 C ATOM 436 OE1 GLN A 29 -3.559 0.347 10.624 1.00 0.00 O ATOM 437 NE2 GLN A 29 -3.200 -1.630 9.623 1.00 0.00 N ATOM 0 H GLN A 29 -7.492 1.351 7.881 1.00 0.00 H new ATOM 0 HA GLN A 29 -5.843 0.745 9.983 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.682 -0.261 7.755 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.174 1.266 7.061 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.322 -0.398 7.467 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.059 1.192 8.155 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.136 -2.153 8.750 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.055 -2.105 10.514 1.00 0.00 H new ATOM 446 N CYS A 30 -5.003 3.635 8.609 1.00 0.00 N ATOM 447 CA CYS A 30 -4.262 4.870 8.842 1.00 0.00 C ATOM 448 C CYS A 30 -4.398 5.320 10.293 1.00 0.00 C ATOM 449 O CYS A 30 -5.332 4.926 10.991 1.00 0.00 O ATOM 450 CB CYS A 30 -4.759 5.972 7.905 1.00 0.00 C ATOM 451 SG CYS A 30 -4.043 5.909 6.246 1.00 0.00 S ATOM 0 H CYS A 30 -5.528 3.616 7.735 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.209 4.677 8.638 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.844 5.903 7.824 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.534 6.941 8.350 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.733 5.093 5.506 1.00 0.00 H new ATOM 457 N ARG A 31 -3.458 6.146 10.741 1.00 0.00 N ATOM 458 CA ARG A 31 -3.471 6.647 12.110 1.00 0.00 C ATOM 459 C ARG A 31 -4.431 7.825 12.249 1.00 0.00 C ATOM 460 O ARG A 31 -5.123 7.961 13.258 1.00 0.00 O ATOM 461 CB ARG A 31 -2.063 7.070 12.534 1.00 0.00 C ATOM 462 CG ARG A 31 -1.955 7.439 14.005 1.00 0.00 C ATOM 463 CD ARG A 31 -0.507 7.468 14.467 1.00 0.00 C ATOM 464 NE ARG A 31 -0.392 7.782 15.889 1.00 0.00 N ATOM 465 CZ ARG A 31 -0.499 9.012 16.380 1.00 0.00 C ATOM 466 NH1 ARG A 31 -0.721 10.037 15.569 1.00 0.00 N ATOM 467 NH2 ARG A 31 -0.383 9.218 17.686 1.00 0.00 N ATOM 0 H ARG A 31 -2.678 6.482 10.176 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.813 5.843 12.761 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.369 6.257 12.320 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.752 7.923 11.930 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.411 8.415 14.171 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.515 6.720 14.604 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.045 6.501 14.271 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.044 8.208 13.887 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.220 7.016 16.540 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.810 9.883 14.565 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.803 10.980 15.949 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.212 8.432 18.313 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.465 10.162 18.063 1.00 0.00 H new ATOM 481 N LYS A 32 -4.467 8.676 11.228 1.00 0.00 N ATOM 482 CA LYS A 32 -5.341 9.842 11.234 1.00 0.00 C ATOM 483 C LYS A 32 -6.193 9.890 9.969 1.00 0.00 C ATOM 484 O LYS A 32 -5.799 9.371 8.925 1.00 0.00 O ATOM 485 CB LYS A 32 -4.515 11.124 11.354 1.00 0.00 C ATOM 486 CG LYS A 32 -3.599 11.371 10.168 1.00 0.00 C ATOM 487 CD LYS A 32 -4.320 12.107 9.051 1.00 0.00 C ATOM 488 CE LYS A 32 -3.356 12.933 8.214 1.00 0.00 C ATOM 489 NZ LYS A 32 -2.551 13.864 9.053 1.00 0.00 N ATOM 0 H LYS A 32 -3.900 8.579 10.386 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.004 9.763 12.095 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.190 11.972 11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.914 11.075 12.262 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.735 11.952 10.489 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.222 10.419 9.794 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.834 11.388 8.413 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.084 12.758 9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -2.688 12.268 7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.916 13.504 7.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.296 14.703 8.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.109 14.156 9.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.685 13.384 9.371 1.00 0.00 H new ATOM 503 N ASP A 33 -7.360 10.517 10.071 1.00 0.00 N ATOM 504 CA ASP A 33 -8.265 10.636 8.934 1.00 0.00 C ATOM 505 C ASP A 33 -7.671 11.538 7.857 1.00 0.00 C ATOM 506 O ASP A 33 -8.089 12.685 7.694 1.00 0.00 O ATOM 507 CB ASP A 33 -9.619 11.185 9.388 1.00 0.00 C ATOM 508 CG ASP A 33 -9.487 12.188 10.517 1.00 0.00 C ATOM 509 OD1 ASP A 33 -8.803 13.215 10.322 1.00 0.00 O ATOM 510 OD2 ASP A 33 -10.069 11.947 11.595 1.00 0.00 O ATOM 0 H ASP A 33 -7.701 10.950 10.929 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.408 9.642 8.510 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.118 11.658 8.542 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.253 10.359 9.711 1.00 0.00 H new ATOM 515 N VAL A 34 -6.693 11.014 7.126 1.00 0.00 N ATOM 516 CA VAL A 34 -6.041 11.773 6.065 1.00 0.00 C ATOM 517 C VAL A 34 -7.035 12.676 5.345 1.00 0.00 C ATOM 518 O VAL A 34 -6.689 13.772 4.906 1.00 0.00 O ATOM 519 CB VAL A 34 -5.373 10.840 5.038 1.00 0.00 C ATOM 520 CG1 VAL A 34 -4.106 10.227 5.616 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.344 9.756 4.593 1.00 0.00 C ATOM 0 H VAL A 34 -6.334 10.067 7.249 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.275 12.387 6.539 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.096 11.430 4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.649 9.571 4.875 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.406 11.020 5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.354 9.651 6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.856 9.106 3.867 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.654 9.168 5.457 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.219 10.217 4.136 1.00 0.00 H new ATOM 531 N GLY A 35 -8.274 12.208 5.227 1.00 0.00 N ATOM 532 CA GLY A 35 -9.301 12.986 4.559 1.00 0.00 C ATOM 533 C GLY A 35 -9.990 12.210 3.454 1.00 0.00 C ATOM 534 O GLY A 35 -9.611 12.310 2.287 1.00 0.00 O ATOM 0 H GLY A 35 -8.585 11.304 5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.043 13.307 5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.855 13.888 4.141 1.00 0.00 H new ATOM 538 N ARG A 36 -11.003 11.433 3.823 1.00 0.00 N ATOM 539 CA ARG A 36 -11.745 10.634 2.854 1.00 0.00 C ATOM 540 C ARG A 36 -12.242 11.501 1.701 1.00 0.00 C ATOM 541 O ARG A 36 -13.145 12.324 1.856 1.00 0.00 O ATOM 542 CB ARG A 36 -12.928 9.941 3.532 1.00 0.00 C ATOM 543 CG ARG A 36 -12.590 8.569 4.092 1.00 0.00 C ATOM 544 CD ARG A 36 -13.751 7.990 4.887 1.00 0.00 C ATOM 545 NE ARG A 36 -14.842 7.551 4.021 1.00 0.00 N ATOM 546 CZ ARG A 36 -16.005 7.099 4.477 1.00 0.00 C ATOM 547 NH1 ARG A 36 -16.227 7.029 5.782 1.00 0.00 N ATOM 548 NH2 ARG A 36 -16.949 6.718 3.626 1.00 0.00 N ATOM 0 H ARG A 36 -11.329 11.339 4.785 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.071 9.877 2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -13.295 10.574 4.340 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.741 9.840 2.812 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.335 7.894 3.275 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.710 8.642 4.732 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.399 7.147 5.482 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.122 8.740 5.586 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.704 7.594 3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.504 7.323 6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.121 6.682 6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.782 6.772 2.621 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.842 6.371 3.977 1.00 0.00 H new ATOM 562 N PRO A 37 -11.640 11.314 0.517 1.00 0.00 N ATOM 563 CA PRO A 37 -12.006 12.070 -0.684 1.00 0.00 C ATOM 564 C PRO A 37 -13.383 11.686 -1.214 1.00 0.00 C ATOM 565 O PRO A 37 -14.177 11.063 -0.509 1.00 0.00 O ATOM 566 CB PRO A 37 -10.919 11.682 -1.691 1.00 0.00 C ATOM 567 CG PRO A 37 -10.444 10.345 -1.239 1.00 0.00 C ATOM 568 CD PRO A 37 -10.557 10.350 0.261 1.00 0.00 C ATOM 0 HA PRO A 37 -12.065 13.141 -0.489 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.316 11.639 -2.705 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.107 12.409 -1.697 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.049 9.549 -1.673 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.415 10.170 -1.552 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.799 9.361 0.649 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.624 10.658 0.733 1.00 0.00 H new ATOM 576 N GLN A 38 -13.660 12.063 -2.458 1.00 0.00 N ATOM 577 CA GLN A 38 -14.943 11.758 -3.081 1.00 0.00 C ATOM 578 C GLN A 38 -14.962 10.330 -3.616 1.00 0.00 C ATOM 579 O GLN A 38 -13.946 9.793 -4.059 1.00 0.00 O ATOM 580 CB GLN A 38 -15.231 12.744 -4.214 1.00 0.00 C ATOM 581 CG GLN A 38 -14.537 12.391 -5.519 1.00 0.00 C ATOM 582 CD GLN A 38 -14.974 13.275 -6.670 1.00 0.00 C ATOM 583 OE1 GLN A 38 -16.158 13.580 -6.819 1.00 0.00 O ATOM 584 NE2 GLN A 38 -14.018 13.692 -7.493 1.00 0.00 N ATOM 0 H GLN A 38 -13.014 12.580 -3.054 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.719 11.852 -2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.307 12.785 -4.384 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -14.919 13.741 -3.904 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.458 12.479 -5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -14.744 11.350 -5.766 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.050 13.415 -7.332 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.252 14.289 -8.286 1.00 0.00 H new ATOM 593 N PRO A 39 -16.144 9.698 -3.576 1.00 0.00 N ATOM 594 CA PRO A 39 -16.324 8.323 -4.053 1.00 0.00 C ATOM 595 C PRO A 39 -16.209 8.217 -5.570 1.00 0.00 C ATOM 596 O PRO A 39 -17.019 8.780 -6.305 1.00 0.00 O ATOM 597 CB PRO A 39 -17.743 7.973 -3.599 1.00 0.00 C ATOM 598 CG PRO A 39 -18.442 9.285 -3.492 1.00 0.00 C ATOM 599 CD PRO A 39 -17.397 10.276 -3.061 1.00 0.00 C ATOM 0 HA PRO A 39 -15.559 7.652 -3.662 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -18.238 7.318 -4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.735 7.450 -2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.882 9.572 -4.447 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -19.256 9.236 -2.768 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.585 11.265 -3.479 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.372 10.388 -1.977 1.00 0.00 H new ATOM 607 N GLY A 40 -15.196 7.490 -6.032 1.00 0.00 N ATOM 608 CA GLY A 40 -14.994 7.323 -7.460 1.00 0.00 C ATOM 609 C GLY A 40 -13.710 6.586 -7.781 1.00 0.00 C ATOM 610 O GLY A 40 -13.280 5.715 -7.025 1.00 0.00 O ATOM 0 H GLY A 40 -14.512 7.014 -5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.838 6.777 -7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.977 8.302 -7.938 1.00 0.00 H new ATOM 614 N ARG A 41 -13.095 6.934 -8.907 1.00 0.00 N ATOM 615 CA ARG A 41 -11.853 6.297 -9.328 1.00 0.00 C ATOM 616 C ARG A 41 -10.752 7.333 -9.531 1.00 0.00 C ATOM 617 O ARG A 41 -9.666 7.218 -8.964 1.00 0.00 O ATOM 618 CB ARG A 41 -12.072 5.509 -10.621 1.00 0.00 C ATOM 619 CG ARG A 41 -12.505 6.373 -11.795 1.00 0.00 C ATOM 620 CD ARG A 41 -12.990 5.527 -12.961 1.00 0.00 C ATOM 621 NE ARG A 41 -14.424 5.263 -12.887 1.00 0.00 N ATOM 622 CZ ARG A 41 -15.091 4.563 -13.798 1.00 0.00 C ATOM 623 NH1 ARG A 41 -14.456 4.058 -14.846 1.00 0.00 N ATOM 624 NH2 ARG A 41 -16.396 4.365 -13.660 1.00 0.00 N ATOM 0 H ARG A 41 -13.437 7.654 -9.544 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.541 5.611 -8.541 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.149 4.992 -10.882 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.828 4.743 -10.446 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.301 7.047 -11.478 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.670 6.995 -12.118 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.763 6.037 -13.897 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.448 4.582 -12.973 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.942 5.637 -12.092 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.453 4.206 -14.955 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.971 3.521 -15.544 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.888 4.750 -12.854 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.907 3.827 -14.360 1.00 0.00 H new ATOM 638 N GLU A 42 -11.041 8.344 -10.345 1.00 0.00 N ATOM 639 CA GLU A 42 -10.074 9.400 -10.623 1.00 0.00 C ATOM 640 C GLU A 42 -9.481 9.950 -9.329 1.00 0.00 C ATOM 641 O GLU A 42 -8.263 10.028 -9.177 1.00 0.00 O ATOM 642 CB GLU A 42 -10.735 10.531 -11.415 1.00 0.00 C ATOM 643 CG GLU A 42 -10.949 10.202 -12.883 1.00 0.00 C ATOM 644 CD GLU A 42 -11.960 11.118 -13.544 1.00 0.00 C ATOM 645 OE1 GLU A 42 -11.662 12.321 -13.695 1.00 0.00 O ATOM 646 OE2 GLU A 42 -13.050 10.630 -13.912 1.00 0.00 O ATOM 0 H GLU A 42 -11.935 8.454 -10.823 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.268 8.971 -11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.697 10.767 -10.960 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.118 11.426 -11.338 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.998 10.276 -13.410 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.285 9.169 -12.975 1.00 0.00 H new ATOM 653 N ASN A 43 -10.352 10.329 -8.400 1.00 0.00 N ATOM 654 CA ASN A 43 -9.915 10.872 -7.119 1.00 0.00 C ATOM 655 C ASN A 43 -8.931 9.928 -6.435 1.00 0.00 C ATOM 656 O ASN A 43 -7.782 10.290 -6.179 1.00 0.00 O ATOM 657 CB ASN A 43 -11.120 11.119 -6.208 1.00 0.00 C ATOM 658 CG ASN A 43 -12.242 10.128 -6.453 1.00 0.00 C ATOM 659 OD1 ASN A 43 -12.239 9.023 -5.910 1.00 0.00 O ATOM 660 ND2 ASN A 43 -13.209 10.521 -7.274 1.00 0.00 N ATOM 0 H ASN A 43 -11.364 10.270 -8.510 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.410 11.820 -7.308 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -10.804 11.056 -5.167 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.491 12.131 -6.368 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.991 9.898 -7.477 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.170 11.446 -7.702 1.00 0.00 H new ATOM 667 N PHE A 44 -9.389 8.716 -6.141 1.00 0.00 N ATOM 668 CA PHE A 44 -8.550 7.719 -5.486 1.00 0.00 C ATOM 669 C PHE A 44 -7.102 7.837 -5.951 1.00 0.00 C ATOM 670 O PHE A 44 -6.171 7.599 -5.181 1.00 0.00 O ATOM 671 CB PHE A 44 -9.076 6.311 -5.772 1.00 0.00 C ATOM 672 CG PHE A 44 -8.478 5.256 -4.887 1.00 0.00 C ATOM 673 CD1 PHE A 44 -7.302 4.616 -5.245 1.00 0.00 C ATOM 674 CD2 PHE A 44 -9.091 4.904 -3.695 1.00 0.00 C ATOM 675 CE1 PHE A 44 -6.750 3.645 -4.432 1.00 0.00 C ATOM 676 CE2 PHE A 44 -8.543 3.933 -2.878 1.00 0.00 C ATOM 677 CZ PHE A 44 -7.371 3.303 -3.246 1.00 0.00 C ATOM 0 H PHE A 44 -10.337 8.400 -6.346 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.584 7.901 -4.412 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.159 6.305 -5.650 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.871 6.060 -6.813 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.811 4.879 -6.170 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -10.007 5.394 -3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.834 3.153 -4.723 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -9.031 3.667 -1.952 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.941 2.545 -2.609 1.00 0.00 H new ATOM 687 N GLN A 45 -6.921 8.206 -7.215 1.00 0.00 N ATOM 688 CA GLN A 45 -5.586 8.354 -7.783 1.00 0.00 C ATOM 689 C GLN A 45 -4.873 9.564 -7.188 1.00 0.00 C ATOM 690 O GLN A 45 -3.734 9.464 -6.734 1.00 0.00 O ATOM 691 CB GLN A 45 -5.669 8.494 -9.304 1.00 0.00 C ATOM 692 CG GLN A 45 -4.313 8.464 -9.992 1.00 0.00 C ATOM 693 CD GLN A 45 -3.700 9.843 -10.132 1.00 0.00 C ATOM 694 OE1 GLN A 45 -3.011 10.323 -9.232 1.00 0.00 O ATOM 695 NE2 GLN A 45 -3.947 10.490 -11.266 1.00 0.00 N ATOM 0 H GLN A 45 -7.681 8.408 -7.865 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.013 7.460 -7.538 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.287 7.689 -9.702 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.170 9.431 -9.548 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.636 7.825 -9.425 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.421 8.016 -10.980 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.524 10.055 -11.986 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.560 11.422 -11.416 1.00 0.00 H new ATOM 704 N ASN A 46 -5.551 10.707 -7.195 1.00 0.00 N ATOM 705 CA ASN A 46 -4.981 11.937 -6.656 1.00 0.00 C ATOM 706 C ASN A 46 -4.861 11.861 -5.137 1.00 0.00 C ATOM 707 O ASN A 46 -4.013 12.523 -4.538 1.00 0.00 O ATOM 708 CB ASN A 46 -5.842 13.138 -7.051 1.00 0.00 C ATOM 709 CG ASN A 46 -5.668 13.519 -8.509 1.00 0.00 C ATOM 710 OD1 ASN A 46 -4.618 13.278 -9.104 1.00 0.00 O ATOM 711 ND2 ASN A 46 -6.701 14.118 -9.091 1.00 0.00 N ATOM 0 H ASN A 46 -6.495 10.807 -7.568 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.983 12.060 -7.076 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.890 12.908 -6.861 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.583 13.990 -6.422 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.643 14.398 -10.070 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.552 14.298 -8.559 1.00 0.00 H new ATOM 718 N TRP A 47 -5.713 11.050 -4.522 1.00 0.00 N ATOM 719 CA TRP A 47 -5.702 10.887 -3.072 1.00 0.00 C ATOM 720 C TRP A 47 -4.339 10.403 -2.589 1.00 0.00 C ATOM 721 O TRP A 47 -3.829 10.871 -1.570 1.00 0.00 O ATOM 722 CB TRP A 47 -6.789 9.901 -2.641 1.00 0.00 C ATOM 723 CG TRP A 47 -7.002 9.863 -1.158 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.910 10.913 -0.290 1.00 0.00 C ATOM 725 CD2 TRP A 47 -7.340 8.717 -0.370 1.00 0.00 C ATOM 726 NE1 TRP A 47 -7.172 10.489 0.991 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.439 9.146 0.968 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.572 7.370 -0.664 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.757 8.275 2.007 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -7.887 6.508 0.368 1.00 0.00 C ATOM 731 CH2 TRP A 47 -7.979 6.962 1.690 1.00 0.00 C ATOM 0 H TRP A 47 -6.420 10.495 -5.004 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.903 11.859 -2.620 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.726 10.169 -3.129 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.523 8.903 -2.988 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.667 11.928 -0.569 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.168 11.079 1.823 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.506 7.010 -1.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.826 8.623 3.027 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -8.066 5.465 0.152 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -8.230 6.263 2.474 1.00 0.00 H new ATOM 742 N LEU A 48 -3.754 9.466 -3.326 1.00 0.00 N ATOM 743 CA LEU A 48 -2.448 8.919 -2.972 1.00 0.00 C ATOM 744 C LEU A 48 -1.343 9.575 -3.793 1.00 0.00 C ATOM 745 O LEU A 48 -0.163 9.479 -3.454 1.00 0.00 O ATOM 746 CB LEU A 48 -2.432 7.405 -3.191 1.00 0.00 C ATOM 747 CG LEU A 48 -3.759 6.680 -2.969 1.00 0.00 C ATOM 748 CD1 LEU A 48 -3.645 5.220 -3.378 1.00 0.00 C ATOM 749 CD2 LEU A 48 -4.193 6.795 -1.515 1.00 0.00 C ATOM 0 H LEU A 48 -4.162 9.069 -4.172 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.266 9.130 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.100 7.209 -4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.687 6.970 -2.525 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.517 7.153 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.599 4.720 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.381 5.157 -4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.873 4.734 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.140 6.273 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.434 6.348 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.316 7.846 -1.254 1.00 0.00 H new ATOM 761 N LYS A 49 -1.732 10.244 -4.873 1.00 0.00 N ATOM 762 CA LYS A 49 -0.776 10.920 -5.741 1.00 0.00 C ATOM 763 C LYS A 49 0.234 11.718 -4.921 1.00 0.00 C ATOM 764 O LYS A 49 1.374 11.914 -5.343 1.00 0.00 O ATOM 765 CB LYS A 49 -1.506 11.848 -6.714 1.00 0.00 C ATOM 766 CG LYS A 49 -0.582 12.792 -7.464 1.00 0.00 C ATOM 767 CD LYS A 49 -0.380 14.094 -6.708 1.00 0.00 C ATOM 768 CE LYS A 49 0.966 14.724 -7.033 1.00 0.00 C ATOM 769 NZ LYS A 49 0.983 15.322 -8.397 1.00 0.00 N ATOM 0 H LYS A 49 -2.704 10.332 -5.168 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.238 10.160 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.057 11.244 -7.435 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.240 12.434 -6.162 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.382 12.309 -7.622 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.998 13.003 -8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.179 14.791 -6.961 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.446 13.908 -5.636 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.194 15.494 -6.296 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.748 13.969 -6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.813 14.974 -8.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.117 15.052 -8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.031 16.358 -8.321 1.00 0.00 H new ATOM 783 N ASP A 50 -0.192 12.175 -3.749 1.00 0.00 N ATOM 784 CA ASP A 50 0.675 12.949 -2.869 1.00 0.00 C ATOM 785 C ASP A 50 1.666 12.042 -2.147 1.00 0.00 C ATOM 786 O ASP A 50 2.822 12.408 -1.939 1.00 0.00 O ATOM 787 CB ASP A 50 -0.159 13.727 -1.850 1.00 0.00 C ATOM 788 CG ASP A 50 -1.503 14.155 -2.408 1.00 0.00 C ATOM 789 OD1 ASP A 50 -1.526 14.759 -3.500 1.00 0.00 O ATOM 790 OD2 ASP A 50 -2.531 13.885 -1.752 1.00 0.00 O ATOM 0 H ASP A 50 -1.133 12.023 -3.386 1.00 0.00 H new ATOM 0 HA ASP A 50 1.236 13.655 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.316 13.109 -0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.395 14.609 -1.529 1.00 0.00 H new ATOM 795 N GLY A 51 1.204 10.855 -1.764 1.00 0.00 N ATOM 796 CA GLY A 51 2.062 9.914 -1.068 1.00 0.00 C ATOM 797 C GLY A 51 1.766 9.849 0.417 1.00 0.00 C ATOM 798 O GLY A 51 1.687 8.765 0.996 1.00 0.00 O ATOM 0 H GLY A 51 0.251 10.529 -1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.938 8.923 -1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.104 10.199 -1.216 1.00 0.00 H new ATOM 802 N THR A 52 1.603 11.014 1.038 1.00 0.00 N ATOM 803 CA THR A 52 1.317 11.085 2.465 1.00 0.00 C ATOM 804 C THR A 52 0.377 9.965 2.895 1.00 0.00 C ATOM 805 O THR A 52 0.663 9.228 3.838 1.00 0.00 O ATOM 806 CB THR A 52 0.691 12.440 2.845 1.00 0.00 C ATOM 807 OG1 THR A 52 -0.509 12.653 2.094 1.00 0.00 O ATOM 808 CG2 THR A 52 1.666 13.579 2.587 1.00 0.00 C ATOM 0 H THR A 52 1.664 11.920 0.574 1.00 0.00 H new ATOM 0 HA THR A 52 2.269 10.974 2.984 1.00 0.00 H new ATOM 0 HB THR A 52 0.455 12.420 3.909 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.902 13.516 2.343 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.201 14.525 2.863 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.566 13.429 3.183 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.930 13.599 1.530 1.00 0.00 H new ATOM 816 N VAL A 53 -0.747 9.842 2.196 1.00 0.00 N ATOM 817 CA VAL A 53 -1.730 8.810 2.504 1.00 0.00 C ATOM 818 C VAL A 53 -1.077 7.433 2.574 1.00 0.00 C ATOM 819 O VAL A 53 -1.176 6.738 3.585 1.00 0.00 O ATOM 820 CB VAL A 53 -2.859 8.779 1.457 1.00 0.00 C ATOM 821 CG1 VAL A 53 -3.834 7.650 1.756 1.00 0.00 C ATOM 822 CG2 VAL A 53 -3.578 10.118 1.410 1.00 0.00 C ATOM 0 H VAL A 53 -0.999 10.444 1.413 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.155 9.057 3.477 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.418 8.595 0.477 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.625 7.644 1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.305 6.697 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.272 7.799 2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.373 10.078 0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.008 10.335 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.870 10.902 1.143 1.00 0.00 H new ATOM 832 N LEU A 54 -0.411 7.046 1.492 1.00 0.00 N ATOM 833 CA LEU A 54 0.259 5.752 1.429 1.00 0.00 C ATOM 834 C LEU A 54 1.192 5.563 2.621 1.00 0.00 C ATOM 835 O LEU A 54 1.297 4.466 3.172 1.00 0.00 O ATOM 836 CB LEU A 54 1.049 5.627 0.125 1.00 0.00 C ATOM 837 CG LEU A 54 0.220 5.472 -1.150 1.00 0.00 C ATOM 838 CD1 LEU A 54 0.967 6.041 -2.346 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.130 4.010 -1.384 1.00 0.00 C ATOM 0 H LEU A 54 -0.320 7.609 0.647 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.504 4.974 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.679 6.510 0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.715 4.768 0.208 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.707 6.032 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.361 5.921 -3.244 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.166 7.100 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.911 5.510 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.720 3.919 -2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.786 3.428 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.707 3.634 -0.539 1.00 0.00 H new ATOM 851 N CYS A 55 1.864 6.638 3.016 1.00 0.00 N ATOM 852 CA CYS A 55 2.787 6.592 4.145 1.00 0.00 C ATOM 853 C CYS A 55 2.064 6.173 5.421 1.00 0.00 C ATOM 854 O CYS A 55 2.514 5.278 6.135 1.00 0.00 O ATOM 855 CB CYS A 55 3.451 7.955 4.344 1.00 0.00 C ATOM 856 SG CYS A 55 4.421 8.518 2.926 1.00 0.00 S ATOM 0 H CYS A 55 1.787 7.553 2.571 1.00 0.00 H new ATOM 0 HA CYS A 55 3.556 5.851 3.925 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.680 8.695 4.560 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.100 7.907 5.218 1.00 0.00 H new ATOM 0 HG CYS A 55 3.644 8.646 1.892 1.00 0.00 H new ATOM 862 N GLU A 56 0.941 6.828 5.701 1.00 0.00 N ATOM 863 CA GLU A 56 0.158 6.524 6.893 1.00 0.00 C ATOM 864 C GLU A 56 -0.222 5.047 6.933 1.00 0.00 C ATOM 865 O GLU A 56 -0.340 4.453 8.006 1.00 0.00 O ATOM 866 CB GLU A 56 -1.104 7.388 6.935 1.00 0.00 C ATOM 867 CG GLU A 56 -0.892 8.744 7.588 1.00 0.00 C ATOM 868 CD GLU A 56 -0.831 8.659 9.101 1.00 0.00 C ATOM 869 OE1 GLU A 56 -0.510 7.570 9.621 1.00 0.00 O ATOM 870 OE2 GLU A 56 -1.104 9.681 9.765 1.00 0.00 O ATOM 0 H GLU A 56 0.554 7.571 5.119 1.00 0.00 H new ATOM 0 HA GLU A 56 0.772 6.747 7.766 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.466 7.537 5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.884 6.852 7.476 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.034 9.182 7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.702 9.414 7.298 1.00 0.00 H new ATOM 877 N LEU A 57 -0.413 4.460 5.757 1.00 0.00 N ATOM 878 CA LEU A 57 -0.781 3.052 5.655 1.00 0.00 C ATOM 879 C LEU A 57 0.337 2.158 6.183 1.00 0.00 C ATOM 880 O LEU A 57 0.225 1.580 7.264 1.00 0.00 O ATOM 881 CB LEU A 57 -1.097 2.690 4.203 1.00 0.00 C ATOM 882 CG LEU A 57 -1.481 1.233 3.942 1.00 0.00 C ATOM 883 CD1 LEU A 57 -2.756 0.876 4.690 1.00 0.00 C ATOM 884 CD2 LEU A 57 -1.649 0.985 2.450 1.00 0.00 C ATOM 0 H LEU A 57 -0.319 4.937 4.860 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.670 2.889 6.264 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.913 3.327 3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.227 2.930 3.592 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.678 0.594 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.014 -0.164 4.493 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.601 1.015 5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.568 1.521 4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.922 -0.057 2.283 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.434 1.633 2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.712 1.201 1.937 1.00 0.00 H new ATOM 896 N ILE A 58 1.414 2.050 5.412 1.00 0.00 N ATOM 897 CA ILE A 58 2.553 1.229 5.804 1.00 0.00 C ATOM 898 C ILE A 58 2.987 1.536 7.233 1.00 0.00 C ATOM 899 O ILE A 58 3.272 0.630 8.014 1.00 0.00 O ATOM 900 CB ILE A 58 3.751 1.442 4.859 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.929 0.565 5.289 1.00 0.00 C ATOM 902 CG2 ILE A 58 4.156 2.908 4.838 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.911 -0.816 4.671 1.00 0.00 C ATOM 0 H ILE A 58 1.522 2.520 4.513 1.00 0.00 H new ATOM 0 HA ILE A 58 2.230 0.190 5.741 1.00 0.00 H new ATOM 0 HB ILE A 58 3.455 1.153 3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.860 1.063 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.923 0.469 6.375 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.004 3.042 4.166 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.318 3.512 4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.437 3.222 5.843 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.775 -1.382 5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.997 -1.333 4.962 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.949 -0.729 3.585 1.00 0.00 H new ATOM 915 N ASN A 59 3.031 2.822 7.569 1.00 0.00 N ATOM 916 CA ASN A 59 3.429 3.249 8.906 1.00 0.00 C ATOM 917 C ASN A 59 2.470 2.703 9.959 1.00 0.00 C ATOM 918 O ASN A 59 2.886 2.314 11.050 1.00 0.00 O ATOM 919 CB ASN A 59 3.473 4.776 8.983 1.00 0.00 C ATOM 920 CG ASN A 59 4.718 5.352 8.336 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.833 4.899 8.597 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.533 6.356 7.487 1.00 0.00 N ATOM 0 H ASN A 59 2.796 3.585 6.935 1.00 0.00 H new ATOM 0 HA ASN A 59 4.424 2.853 9.106 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.590 5.187 8.495 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.433 5.086 10.027 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.333 6.784 7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.591 6.699 7.301 1.00 0.00 H new ATOM 929 N ALA A 60 1.184 2.677 9.624 1.00 0.00 N ATOM 930 CA ALA A 60 0.166 2.177 10.539 1.00 0.00 C ATOM 931 C ALA A 60 0.452 0.734 10.943 1.00 0.00 C ATOM 932 O ALA A 60 0.268 0.355 12.100 1.00 0.00 O ATOM 933 CB ALA A 60 -1.213 2.285 9.905 1.00 0.00 C ATOM 0 H ALA A 60 0.823 2.997 8.725 1.00 0.00 H new ATOM 0 HA ALA A 60 0.189 2.791 11.439 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.963 1.908 10.600 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.426 3.328 9.672 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.239 1.696 8.988 1.00 0.00 H new ATOM 939 N LEU A 61 0.902 -0.066 9.983 1.00 0.00 N ATOM 940 CA LEU A 61 1.214 -1.468 10.238 1.00 0.00 C ATOM 941 C LEU A 61 2.360 -1.598 11.237 1.00 0.00 C ATOM 942 O LEU A 61 2.152 -1.975 12.390 1.00 0.00 O ATOM 943 CB LEU A 61 1.577 -2.176 8.932 1.00 0.00 C ATOM 944 CG LEU A 61 0.469 -2.258 7.882 1.00 0.00 C ATOM 945 CD1 LEU A 61 1.054 -2.561 6.511 1.00 0.00 C ATOM 946 CD2 LEU A 61 -0.558 -3.312 8.271 1.00 0.00 C ATOM 0 H LEU A 61 1.059 0.232 9.020 1.00 0.00 H new ATOM 0 HA LEU A 61 0.329 -1.940 10.665 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.432 -1.664 8.490 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.901 -3.189 9.169 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.032 -1.291 7.835 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.250 -2.616 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.750 -1.771 6.230 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.582 -3.514 6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.339 -3.356 7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.071 -4.284 8.347 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.001 -3.051 9.232 1.00 0.00 H new ATOM 958 N TYR A 62 3.569 -1.281 10.786 1.00 0.00 N ATOM 959 CA TYR A 62 4.748 -1.362 11.640 1.00 0.00 C ATOM 960 C TYR A 62 4.518 -0.629 12.958 1.00 0.00 C ATOM 961 O TYR A 62 3.846 0.401 13.016 1.00 0.00 O ATOM 962 CB TYR A 62 5.964 -0.775 10.922 1.00 0.00 C ATOM 963 CG TYR A 62 6.578 -1.712 9.906 1.00 0.00 C ATOM 964 CD1 TYR A 62 7.306 -2.825 10.308 1.00 0.00 C ATOM 965 CD2 TYR A 62 6.431 -1.484 8.543 1.00 0.00 C ATOM 966 CE1 TYR A 62 7.869 -3.683 9.384 1.00 0.00 C ATOM 967 CE2 TYR A 62 6.989 -2.337 7.611 1.00 0.00 C ATOM 968 CZ TYR A 62 7.707 -3.435 8.037 1.00 0.00 C ATOM 969 OH TYR A 62 8.266 -4.287 7.112 1.00 0.00 O ATOM 0 H TYR A 62 3.758 -0.966 9.835 1.00 0.00 H new ATOM 0 HA TYR A 62 4.936 -2.413 11.859 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.670 0.148 10.422 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.719 -0.509 11.662 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.434 -3.023 11.362 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.870 -0.624 8.207 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.433 -4.543 9.714 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.864 -2.146 6.555 1.00 0.00 H new ATOM 0 HH TYR A 62 8.058 -3.971 6.208 1.00 0.00 H new ATOM 979 N PRO A 63 5.091 -1.171 14.043 1.00 0.00 N ATOM 980 CA PRO A 63 4.965 -0.585 15.381 1.00 0.00 C ATOM 981 C PRO A 63 5.729 0.728 15.513 1.00 0.00 C ATOM 982 O PRO A 63 6.329 1.206 14.551 1.00 0.00 O ATOM 983 CB PRO A 63 5.574 -1.652 16.294 1.00 0.00 C ATOM 984 CG PRO A 63 6.518 -2.404 15.421 1.00 0.00 C ATOM 985 CD PRO A 63 5.906 -2.397 14.047 1.00 0.00 C ATOM 0 HA PRO A 63 3.931 -0.338 15.622 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.092 -1.200 17.140 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.806 -2.308 16.704 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.501 -1.933 15.413 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.656 -3.423 15.782 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.668 -2.376 13.268 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.298 -3.285 13.874 1.00 0.00 H new ATOM 993 N GLU A 64 5.702 1.305 16.710 1.00 0.00 N ATOM 994 CA GLU A 64 6.393 2.564 16.966 1.00 0.00 C ATOM 995 C GLU A 64 7.898 2.407 16.776 1.00 0.00 C ATOM 996 O GLU A 64 8.544 1.620 17.467 1.00 0.00 O ATOM 997 CB GLU A 64 6.095 3.055 18.384 1.00 0.00 C ATOM 998 CG GLU A 64 4.615 3.264 18.658 1.00 0.00 C ATOM 999 CD GLU A 64 4.091 4.560 18.071 1.00 0.00 C ATOM 1000 OE1 GLU A 64 3.807 4.588 16.855 1.00 0.00 O ATOM 1001 OE2 GLU A 64 3.964 5.546 18.827 1.00 0.00 O ATOM 0 H GLU A 64 5.210 0.922 17.517 1.00 0.00 H new ATOM 0 HA GLU A 64 6.029 3.301 16.250 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.490 2.334 19.100 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.623 3.993 18.553 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.051 2.428 18.244 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.445 3.262 19.735 1.00 0.00 H new ATOM 1008 N GLY A 65 8.452 3.162 15.832 1.00 0.00 N ATOM 1009 CA GLY A 65 9.877 3.092 15.567 1.00 0.00 C ATOM 1010 C GLY A 65 10.199 2.247 14.350 1.00 0.00 C ATOM 1011 O GLY A 65 10.998 2.648 13.504 1.00 0.00 O ATOM 0 H GLY A 65 7.939 3.821 15.246 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.266 4.099 15.419 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.386 2.678 16.438 1.00 0.00 H new ATOM 1015 N GLN A 66 9.578 1.076 14.263 1.00 0.00 N ATOM 1016 CA GLN A 66 9.805 0.173 13.141 1.00 0.00 C ATOM 1017 C GLN A 66 9.360 0.811 11.829 1.00 0.00 C ATOM 1018 O GLN A 66 9.922 0.532 10.770 1.00 0.00 O ATOM 1019 CB GLN A 66 9.059 -1.144 13.360 1.00 0.00 C ATOM 1020 CG GLN A 66 9.776 -2.102 14.298 1.00 0.00 C ATOM 1021 CD GLN A 66 9.975 -1.522 15.684 1.00 0.00 C ATOM 1022 OE1 GLN A 66 10.623 -0.487 15.850 1.00 0.00 O ATOM 1023 NE2 GLN A 66 9.419 -2.187 16.690 1.00 0.00 N ATOM 0 H GLN A 66 8.914 0.730 14.956 1.00 0.00 H new ATOM 0 HA GLN A 66 10.874 -0.029 13.081 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.069 -0.928 13.762 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.913 -1.633 12.397 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.204 -3.027 14.374 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.746 -2.362 13.874 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.891 -3.040 16.507 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.520 -1.845 17.645 1.00 0.00 H new ATOM 1032 N ALA A 67 8.348 1.668 11.907 1.00 0.00 N ATOM 1033 CA ALA A 67 7.829 2.347 10.726 1.00 0.00 C ATOM 1034 C ALA A 67 8.961 2.786 9.804 1.00 0.00 C ATOM 1035 O ALA A 67 9.878 3.504 10.205 1.00 0.00 O ATOM 1036 CB ALA A 67 6.984 3.545 11.135 1.00 0.00 C ATOM 0 H ALA A 67 7.871 1.909 12.776 1.00 0.00 H new ATOM 0 HA ALA A 67 7.202 1.643 10.179 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.603 4.043 10.243 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.148 3.208 11.748 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.595 4.243 11.707 1.00 0.00 H new ATOM 1042 N PRO A 68 8.898 2.347 8.538 1.00 0.00 N ATOM 1043 CA PRO A 68 9.911 2.682 7.532 1.00 0.00 C ATOM 1044 C PRO A 68 9.861 4.151 7.128 1.00 0.00 C ATOM 1045 O PRO A 68 10.897 4.790 6.941 1.00 0.00 O ATOM 1046 CB PRO A 68 9.542 1.788 6.346 1.00 0.00 C ATOM 1047 CG PRO A 68 8.085 1.524 6.509 1.00 0.00 C ATOM 1048 CD PRO A 68 7.834 1.488 7.991 1.00 0.00 C ATOM 0 HA PRO A 68 10.923 2.523 7.903 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.751 2.283 5.397 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.116 0.861 6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.491 2.304 6.031 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.805 0.579 6.043 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.843 1.868 8.240 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.895 0.473 8.384 1.00 0.00 H new ATOM 1056 N VAL A 69 8.650 4.683 6.994 1.00 0.00 N ATOM 1057 CA VAL A 69 8.466 6.078 6.613 1.00 0.00 C ATOM 1058 C VAL A 69 8.058 6.926 7.813 1.00 0.00 C ATOM 1059 O VAL A 69 6.872 7.072 8.110 1.00 0.00 O ATOM 1060 CB VAL A 69 7.400 6.223 5.510 1.00 0.00 C ATOM 1061 CG1 VAL A 69 7.162 7.690 5.186 1.00 0.00 C ATOM 1062 CG2 VAL A 69 7.815 5.454 4.265 1.00 0.00 C ATOM 0 H VAL A 69 7.782 4.169 7.144 1.00 0.00 H new ATOM 0 HA VAL A 69 9.424 6.431 6.231 1.00 0.00 H new ATOM 0 HB VAL A 69 6.464 5.801 5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.406 7.772 4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.817 8.209 6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.092 8.142 4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.051 5.567 3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.763 5.845 3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.929 4.398 4.511 1.00 0.00 H new ATOM 1072 N LYS A 70 9.049 7.485 8.500 1.00 0.00 N ATOM 1073 CA LYS A 70 8.795 8.321 9.667 1.00 0.00 C ATOM 1074 C LYS A 70 8.409 9.736 9.249 1.00 0.00 C ATOM 1075 O LYS A 70 7.437 10.300 9.753 1.00 0.00 O ATOM 1076 CB LYS A 70 10.031 8.363 10.568 1.00 0.00 C ATOM 1077 CG LYS A 70 10.057 7.265 11.617 1.00 0.00 C ATOM 1078 CD LYS A 70 9.150 7.593 12.791 1.00 0.00 C ATOM 1079 CE LYS A 70 9.272 6.556 13.897 1.00 0.00 C ATOM 1080 NZ LYS A 70 10.344 6.906 14.869 1.00 0.00 N ATOM 0 H LYS A 70 10.036 7.374 8.268 1.00 0.00 H new ATOM 0 HA LYS A 70 7.964 7.885 10.221 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.924 8.283 9.949 1.00 0.00 H new ATOM 0 HB3 LYS A 70 10.074 9.331 11.067 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.744 6.323 11.167 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.078 7.125 11.973 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.404 8.577 13.184 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.116 7.643 12.450 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.320 6.470 14.421 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.483 5.581 13.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.985 6.095 14.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.881 7.723 14.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.916 7.145 15.786 1.00 0.00 H new ATOM 1094 N LYS A 71 9.174 10.304 8.324 1.00 0.00 N ATOM 1095 CA LYS A 71 8.911 11.653 7.835 1.00 0.00 C ATOM 1096 C LYS A 71 7.731 11.661 6.869 1.00 0.00 C ATOM 1097 O LYS A 71 7.837 11.183 5.740 1.00 0.00 O ATOM 1098 CB LYS A 71 10.154 12.218 7.143 1.00 0.00 C ATOM 1099 CG LYS A 71 10.660 11.353 6.001 1.00 0.00 C ATOM 1100 CD LYS A 71 12.168 11.456 5.849 1.00 0.00 C ATOM 1101 CE LYS A 71 12.557 12.572 4.891 1.00 0.00 C ATOM 1102 NZ LYS A 71 14.007 12.531 4.552 1.00 0.00 N ATOM 0 H LYS A 71 9.982 9.851 7.897 1.00 0.00 H new ATOM 0 HA LYS A 71 8.662 12.281 8.691 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.926 13.213 6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.949 12.334 7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.382 10.314 6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.178 11.657 5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.621 11.637 6.824 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.564 10.508 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.968 12.489 3.978 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.316 13.536 5.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.233 13.307 3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.570 12.636 5.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.233 11.621 4.101 1.00 0.00 H new ATOM 1116 N ILE A 72 6.607 12.208 7.321 1.00 0.00 N ATOM 1117 CA ILE A 72 5.408 12.280 6.496 1.00 0.00 C ATOM 1118 C ILE A 72 4.922 13.719 6.356 1.00 0.00 C ATOM 1119 O ILE A 72 4.197 14.225 7.212 1.00 0.00 O ATOM 1120 CB ILE A 72 4.270 11.421 7.079 1.00 0.00 C ATOM 1121 CG1 ILE A 72 4.762 9.997 7.344 1.00 0.00 C ATOM 1122 CG2 ILE A 72 3.078 11.408 6.134 1.00 0.00 C ATOM 1123 CD1 ILE A 72 3.771 9.148 8.109 1.00 0.00 C ATOM 0 H ILE A 72 6.502 12.607 8.254 1.00 0.00 H new ATOM 0 HA ILE A 72 5.678 11.893 5.514 1.00 0.00 H new ATOM 0 HB ILE A 72 3.953 11.858 8.026 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.983 9.514 6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.697 10.042 7.903 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.282 10.797 6.560 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.716 12.426 5.991 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.380 10.992 5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.186 8.152 8.261 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.568 9.608 9.076 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.843 9.072 7.542 1.00 0.00 H new ATOM 1135 N GLN A 73 5.326 14.371 5.271 1.00 0.00 N ATOM 1136 CA GLN A 73 4.932 15.752 5.019 1.00 0.00 C ATOM 1137 C GLN A 73 4.237 15.882 3.667 1.00 0.00 C ATOM 1138 O GLN A 73 4.566 15.170 2.719 1.00 0.00 O ATOM 1139 CB GLN A 73 6.153 16.671 5.068 1.00 0.00 C ATOM 1140 CG GLN A 73 5.805 18.134 5.292 1.00 0.00 C ATOM 1141 CD GLN A 73 7.032 19.001 5.494 1.00 0.00 C ATOM 1142 OE1 GLN A 73 7.535 19.615 4.553 1.00 0.00 O ATOM 1143 NE2 GLN A 73 7.521 19.057 6.728 1.00 0.00 N ATOM 0 H GLN A 73 5.926 13.965 4.552 1.00 0.00 H new ATOM 0 HA GLN A 73 4.231 16.050 5.798 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.816 16.338 5.866 1.00 0.00 H new ATOM 0 HB3 GLN A 73 6.706 16.577 4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 73 5.240 18.504 4.437 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.156 18.220 6.164 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.073 18.532 7.479 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.345 19.625 6.925 1.00 0.00 H new ATOM 1152 N ALA A 74 3.275 16.795 3.587 1.00 0.00 N ATOM 1153 CA ALA A 74 2.535 17.018 2.351 1.00 0.00 C ATOM 1154 C ALA A 74 3.085 18.221 1.592 1.00 0.00 C ATOM 1155 O ALA A 74 2.699 19.360 1.851 1.00 0.00 O ATOM 1156 CB ALA A 74 1.055 17.212 2.649 1.00 0.00 C ATOM 0 H ALA A 74 2.990 17.392 4.363 1.00 0.00 H new ATOM 0 HA ALA A 74 2.655 16.137 1.721 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.515 17.378 1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.663 16.322 3.142 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.925 18.075 3.302 1.00 0.00 H new ATOM 1162 N SER A 75 3.990 17.959 0.654 1.00 0.00 N ATOM 1163 CA SER A 75 4.597 19.021 -0.140 1.00 0.00 C ATOM 1164 C SER A 75 3.872 19.185 -1.473 1.00 0.00 C ATOM 1165 O SER A 75 3.466 18.204 -2.098 1.00 0.00 O ATOM 1166 CB SER A 75 6.077 18.721 -0.385 1.00 0.00 C ATOM 1167 OG SER A 75 6.877 19.198 0.682 1.00 0.00 O ATOM 0 H SER A 75 4.319 17.021 0.425 1.00 0.00 H new ATOM 0 HA SER A 75 4.510 19.953 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.220 17.646 -0.498 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.396 19.185 -1.318 1.00 0.00 H new ATOM 0 HG SER A 75 7.818 18.993 0.502 1.00 0.00 H new ATOM 1173 N THR A 76 3.712 20.432 -1.903 1.00 0.00 N ATOM 1174 CA THR A 76 3.036 20.727 -3.160 1.00 0.00 C ATOM 1175 C THR A 76 3.926 20.401 -4.353 1.00 0.00 C ATOM 1176 O THR A 76 3.438 20.051 -5.427 1.00 0.00 O ATOM 1177 CB THR A 76 2.614 22.206 -3.238 1.00 0.00 C ATOM 1178 OG1 THR A 76 3.753 23.052 -3.041 1.00 0.00 O ATOM 1179 CG2 THR A 76 1.555 22.523 -2.192 1.00 0.00 C ATOM 0 H THR A 76 4.042 21.255 -1.399 1.00 0.00 H new ATOM 0 HA THR A 76 2.145 20.100 -3.193 1.00 0.00 H new ATOM 0 HB THR A 76 2.192 22.388 -4.227 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.476 23.991 -3.094 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.273 23.573 -2.267 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.678 21.899 -2.362 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.955 22.324 -1.198 1.00 0.00 H new ATOM 1187 N MET A 77 5.236 20.518 -4.158 1.00 0.00 N ATOM 1188 CA MET A 77 6.195 20.234 -5.219 1.00 0.00 C ATOM 1189 C MET A 77 5.854 18.924 -5.923 1.00 0.00 C ATOM 1190 O MET A 77 5.551 17.922 -5.277 1.00 0.00 O ATOM 1191 CB MET A 77 7.613 20.165 -4.649 1.00 0.00 C ATOM 1192 CG MET A 77 8.095 21.481 -4.060 1.00 0.00 C ATOM 1193 SD MET A 77 8.471 22.711 -5.324 1.00 0.00 S ATOM 1194 CE MET A 77 7.105 23.849 -5.106 1.00 0.00 C ATOM 0 H MET A 77 5.657 20.807 -3.275 1.00 0.00 H new ATOM 0 HA MET A 77 6.143 21.043 -5.948 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.649 19.396 -3.877 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.299 19.857 -5.438 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.331 21.876 -3.390 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.985 21.301 -3.458 1.00 0.00 H new ATOM 0 HE1 MET A 77 7.197 24.668 -5.819 1.00 0.00 H new ATOM 0 HE2 MET A 77 6.164 23.325 -5.274 1.00 0.00 H new ATOM 0 HE3 MET A 77 7.122 24.248 -4.092 1.00 0.00 H new ATOM 1204 N ALA A 78 5.905 18.941 -7.251 1.00 0.00 N ATOM 1205 CA ALA A 78 5.603 17.754 -8.042 1.00 0.00 C ATOM 1206 C ALA A 78 6.629 16.654 -7.795 1.00 0.00 C ATOM 1207 O ALA A 78 6.314 15.467 -7.877 1.00 0.00 O ATOM 1208 CB ALA A 78 5.549 18.106 -9.521 1.00 0.00 C ATOM 0 H ALA A 78 6.152 19.763 -7.802 1.00 0.00 H new ATOM 0 HA ALA A 78 4.627 17.380 -7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.323 17.211 -10.100 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.773 18.853 -9.689 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.513 18.507 -9.835 1.00 0.00 H new ATOM 1214 N PHE A 79 7.859 17.056 -7.492 1.00 0.00 N ATOM 1215 CA PHE A 79 8.933 16.103 -7.235 1.00 0.00 C ATOM 1216 C PHE A 79 8.754 15.437 -5.874 1.00 0.00 C ATOM 1217 O PHE A 79 8.818 14.213 -5.756 1.00 0.00 O ATOM 1218 CB PHE A 79 10.292 16.805 -7.297 1.00 0.00 C ATOM 1219 CG PHE A 79 11.350 16.137 -6.466 1.00 0.00 C ATOM 1220 CD1 PHE A 79 11.782 14.856 -6.769 1.00 0.00 C ATOM 1221 CD2 PHE A 79 11.911 16.791 -5.381 1.00 0.00 C ATOM 1222 CE1 PHE A 79 12.756 14.239 -6.006 1.00 0.00 C ATOM 1223 CE2 PHE A 79 12.886 16.179 -4.615 1.00 0.00 C ATOM 1224 CZ PHE A 79 13.308 14.901 -4.927 1.00 0.00 C ATOM 0 H PHE A 79 8.137 18.035 -7.418 1.00 0.00 H new ATOM 0 HA PHE A 79 8.894 15.333 -8.005 1.00 0.00 H new ATOM 0 HB2 PHE A 79 10.626 16.843 -8.334 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.175 17.836 -6.962 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.353 14.333 -7.611 1.00 0.00 H new ATOM 0 HD2 PHE A 79 11.583 17.789 -5.131 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.085 13.240 -6.254 1.00 0.00 H new ATOM 0 HE2 PHE A 79 13.318 16.700 -3.773 1.00 0.00 H new ATOM 0 HZ PHE A 79 14.068 14.421 -4.328 1.00 0.00 H new ATOM 1234 N LYS A 80 8.531 16.251 -4.848 1.00 0.00 N ATOM 1235 CA LYS A 80 8.342 15.743 -3.494 1.00 0.00 C ATOM 1236 C LYS A 80 7.232 14.697 -3.456 1.00 0.00 C ATOM 1237 O LYS A 80 7.445 13.570 -3.010 1.00 0.00 O ATOM 1238 CB LYS A 80 8.010 16.891 -2.538 1.00 0.00 C ATOM 1239 CG LYS A 80 9.200 17.777 -2.214 1.00 0.00 C ATOM 1240 CD LYS A 80 10.208 17.057 -1.335 1.00 0.00 C ATOM 1241 CE LYS A 80 11.386 17.954 -0.987 1.00 0.00 C ATOM 1242 NZ LYS A 80 10.945 19.224 -0.346 1.00 0.00 N ATOM 0 H LYS A 80 8.477 17.266 -4.928 1.00 0.00 H new ATOM 0 HA LYS A 80 9.272 15.272 -3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.222 17.502 -2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.613 16.477 -1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.682 18.092 -3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.856 18.680 -1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.721 16.723 -0.419 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.568 16.165 -1.848 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.061 17.423 -0.315 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.950 18.180 -1.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.757 19.680 0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.556 19.861 -1.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.213 19.019 0.364 1.00 0.00 H new ATOM 1256 N GLN A 81 6.049 15.079 -3.926 1.00 0.00 N ATOM 1257 CA GLN A 81 4.907 14.173 -3.945 1.00 0.00 C ATOM 1258 C GLN A 81 5.311 12.798 -4.467 1.00 0.00 C ATOM 1259 O GLN A 81 5.302 11.816 -3.726 1.00 0.00 O ATOM 1260 CB GLN A 81 3.786 14.751 -4.811 1.00 0.00 C ATOM 1261 CG GLN A 81 3.263 16.089 -4.316 1.00 0.00 C ATOM 1262 CD GLN A 81 2.425 15.960 -3.059 1.00 0.00 C ATOM 1263 OE1 GLN A 81 2.598 15.025 -2.277 1.00 0.00 O ATOM 1264 NE2 GLN A 81 1.510 16.901 -2.858 1.00 0.00 N ATOM 0 H GLN A 81 5.857 16.009 -4.298 1.00 0.00 H new ATOM 0 HA GLN A 81 4.547 14.061 -2.922 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.150 14.868 -5.832 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.962 14.039 -4.846 1.00 0.00 H new ATOM 0 HG2 GLN A 81 4.104 16.754 -4.120 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.665 16.554 -5.100 1.00 0.00 H new ATOM 0 HE21 GLN A 81 1.401 17.658 -3.532 1.00 0.00 H new ATOM 0 HE22 GLN A 81 0.917 16.867 -2.029 1.00 0.00 H new ATOM 1273 N MET A 82 5.666 12.737 -5.746 1.00 0.00 N ATOM 1274 CA MET A 82 6.074 11.482 -6.366 1.00 0.00 C ATOM 1275 C MET A 82 7.162 10.798 -5.544 1.00 0.00 C ATOM 1276 O MET A 82 7.203 9.572 -5.451 1.00 0.00 O ATOM 1277 CB MET A 82 6.575 11.731 -7.790 1.00 0.00 C ATOM 1278 CG MET A 82 7.930 12.418 -7.846 1.00 0.00 C ATOM 1279 SD MET A 82 8.674 12.352 -9.487 1.00 0.00 S ATOM 1280 CE MET A 82 7.784 13.667 -10.316 1.00 0.00 C ATOM 0 H MET A 82 5.679 13.541 -6.373 1.00 0.00 H new ATOM 0 HA MET A 82 5.205 10.825 -6.404 1.00 0.00 H new ATOM 0 HB2 MET A 82 6.638 10.778 -8.316 1.00 0.00 H new ATOM 0 HB3 MET A 82 5.845 12.341 -8.322 1.00 0.00 H new ATOM 0 HG2 MET A 82 7.818 13.459 -7.544 1.00 0.00 H new ATOM 0 HG3 MET A 82 8.601 11.948 -7.128 1.00 0.00 H new ATOM 0 HE1 MET A 82 7.395 13.300 -11.266 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.957 13.998 -9.688 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.458 14.504 -10.499 1.00 0.00 H new ATOM 1290 N GLU A 83 8.042 11.600 -4.951 1.00 0.00 N ATOM 1291 CA GLU A 83 9.130 11.070 -4.138 1.00 0.00 C ATOM 1292 C GLU A 83 8.592 10.403 -2.876 1.00 0.00 C ATOM 1293 O GLU A 83 9.161 9.428 -2.387 1.00 0.00 O ATOM 1294 CB GLU A 83 10.105 12.188 -3.761 1.00 0.00 C ATOM 1295 CG GLU A 83 11.209 11.741 -2.818 1.00 0.00 C ATOM 1296 CD GLU A 83 11.803 12.890 -2.028 1.00 0.00 C ATOM 1297 OE1 GLU A 83 11.029 13.759 -1.573 1.00 0.00 O ATOM 1298 OE2 GLU A 83 13.040 12.922 -1.864 1.00 0.00 O ATOM 0 H GLU A 83 8.022 12.618 -5.019 1.00 0.00 H new ATOM 0 HA GLU A 83 9.658 10.320 -4.727 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.555 12.588 -4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.549 13.002 -3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.812 10.997 -2.127 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.997 11.254 -3.392 1.00 0.00 H new ATOM 1305 N GLN A 84 7.493 10.938 -2.354 1.00 0.00 N ATOM 1306 CA GLN A 84 6.878 10.395 -1.148 1.00 0.00 C ATOM 1307 C GLN A 84 6.280 9.018 -1.414 1.00 0.00 C ATOM 1308 O GLN A 84 6.297 8.145 -0.546 1.00 0.00 O ATOM 1309 CB GLN A 84 5.795 11.343 -0.631 1.00 0.00 C ATOM 1310 CG GLN A 84 5.465 11.146 0.840 1.00 0.00 C ATOM 1311 CD GLN A 84 6.445 11.852 1.757 1.00 0.00 C ATOM 1312 OE1 GLN A 84 6.919 12.947 1.453 1.00 0.00 O ATOM 1313 NE2 GLN A 84 6.753 11.227 2.887 1.00 0.00 N ATOM 0 H GLN A 84 7.010 11.746 -2.747 1.00 0.00 H new ATOM 0 HA GLN A 84 7.654 10.293 -0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.120 12.372 -0.787 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.889 11.202 -1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.459 11.516 1.036 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.462 10.080 1.068 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.336 10.320 3.098 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.406 11.653 3.544 1.00 0.00 H new ATOM 1322 N ILE A 85 5.752 8.830 -2.619 1.00 0.00 N ATOM 1323 CA ILE A 85 5.149 7.559 -2.999 1.00 0.00 C ATOM 1324 C ILE A 85 6.160 6.420 -2.901 1.00 0.00 C ATOM 1325 O ILE A 85 5.904 5.404 -2.256 1.00 0.00 O ATOM 1326 CB ILE A 85 4.586 7.608 -4.432 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.549 8.726 -4.557 1.00 0.00 C ATOM 1328 CG2 ILE A 85 3.975 6.267 -4.807 1.00 0.00 C ATOM 1329 CD1 ILE A 85 3.019 8.904 -5.962 1.00 0.00 C ATOM 0 H ILE A 85 5.730 9.542 -3.349 1.00 0.00 H new ATOM 0 HA ILE A 85 4.331 7.377 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 85 5.404 7.818 -5.121 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.716 8.514 -3.887 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.995 9.663 -4.224 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.582 6.318 -5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.739 5.491 -4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.166 6.030 -4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.289 9.713 -5.976 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.843 9.147 -6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.543 7.980 -6.291 1.00 0.00 H new ATOM 1341 N SER A 86 7.309 6.599 -3.545 1.00 0.00 N ATOM 1342 CA SER A 86 8.358 5.587 -3.533 1.00 0.00 C ATOM 1343 C SER A 86 8.655 5.131 -2.107 1.00 0.00 C ATOM 1344 O SER A 86 8.659 3.935 -1.816 1.00 0.00 O ATOM 1345 CB SER A 86 9.631 6.133 -4.182 1.00 0.00 C ATOM 1346 OG SER A 86 10.705 5.218 -4.047 1.00 0.00 O ATOM 0 H SER A 86 7.537 7.436 -4.082 1.00 0.00 H new ATOM 0 HA SER A 86 8.007 4.728 -4.106 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.448 6.331 -5.238 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.899 7.084 -3.721 1.00 0.00 H new ATOM 0 HG SER A 86 11.507 5.590 -4.471 1.00 0.00 H new ATOM 1352 N GLN A 87 8.905 6.093 -1.225 1.00 0.00 N ATOM 1353 CA GLN A 87 9.204 5.790 0.170 1.00 0.00 C ATOM 1354 C GLN A 87 8.397 4.590 0.652 1.00 0.00 C ATOM 1355 O GLN A 87 8.912 3.727 1.364 1.00 0.00 O ATOM 1356 CB GLN A 87 8.911 7.005 1.051 1.00 0.00 C ATOM 1357 CG GLN A 87 10.046 8.015 1.093 1.00 0.00 C ATOM 1358 CD GLN A 87 9.861 9.057 2.179 1.00 0.00 C ATOM 1359 OE1 GLN A 87 9.572 8.726 3.330 1.00 0.00 O ATOM 1360 NE2 GLN A 87 10.028 10.324 1.819 1.00 0.00 N ATOM 0 H GLN A 87 8.907 7.088 -1.451 1.00 0.00 H new ATOM 0 HA GLN A 87 10.263 5.544 0.243 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.010 7.499 0.687 1.00 0.00 H new ATOM 0 HB3 GLN A 87 8.700 6.665 2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.988 7.491 1.255 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.120 8.513 0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.267 10.553 0.854 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.917 11.069 2.507 1.00 0.00 H new ATOM 1369 N PHE A 88 7.128 4.541 0.261 1.00 0.00 N ATOM 1370 CA PHE A 88 6.248 3.447 0.655 1.00 0.00 C ATOM 1371 C PHE A 88 6.541 2.192 -0.162 1.00 0.00 C ATOM 1372 O PHE A 88 6.688 1.100 0.388 1.00 0.00 O ATOM 1373 CB PHE A 88 4.783 3.853 0.478 1.00 0.00 C ATOM 1374 CG PHE A 88 3.845 2.685 0.379 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.798 1.730 1.382 1.00 0.00 C ATOM 1376 CD2 PHE A 88 3.009 2.541 -0.717 1.00 0.00 C ATOM 1377 CE1 PHE A 88 2.935 0.654 1.293 1.00 0.00 C ATOM 1378 CE2 PHE A 88 2.144 1.467 -0.811 1.00 0.00 C ATOM 1379 CZ PHE A 88 2.107 0.523 0.196 1.00 0.00 C ATOM 0 H PHE A 88 6.686 5.246 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 88 6.433 3.227 1.706 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.484 4.479 1.319 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.689 4.461 -0.422 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.443 1.828 2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.034 3.277 -1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.908 -0.084 2.081 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.498 1.366 -1.671 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.431 -0.317 0.126 1.00 0.00 H new ATOM 1389 N LEU A 89 6.625 2.356 -1.478 1.00 0.00 N ATOM 1390 CA LEU A 89 6.900 1.237 -2.372 1.00 0.00 C ATOM 1391 C LEU A 89 8.154 0.487 -1.935 1.00 0.00 C ATOM 1392 O LEU A 89 8.102 -0.706 -1.635 1.00 0.00 O ATOM 1393 CB LEU A 89 7.065 1.736 -3.809 1.00 0.00 C ATOM 1394 CG LEU A 89 5.912 2.571 -4.366 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.369 3.375 -5.573 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.735 1.678 -4.732 1.00 0.00 C ATOM 0 H LEU A 89 6.507 3.253 -1.949 1.00 0.00 H new ATOM 0 HA LEU A 89 6.054 0.551 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.977 2.330 -3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.208 0.872 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 89 5.587 3.268 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.535 3.963 -5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.179 4.043 -5.280 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.721 2.696 -6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.923 2.289 -5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.047 0.957 -5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.391 1.148 -3.844 1.00 0.00 H new ATOM 1408 N GLN A 90 9.279 1.194 -1.901 1.00 0.00 N ATOM 1409 CA GLN A 90 10.546 0.595 -1.499 1.00 0.00 C ATOM 1410 C GLN A 90 10.373 -0.252 -0.242 1.00 0.00 C ATOM 1411 O GLN A 90 11.164 -1.157 0.022 1.00 0.00 O ATOM 1412 CB GLN A 90 11.595 1.681 -1.256 1.00 0.00 C ATOM 1413 CG GLN A 90 11.996 2.432 -2.515 1.00 0.00 C ATOM 1414 CD GLN A 90 13.064 1.708 -3.311 1.00 0.00 C ATOM 1415 OE1 GLN A 90 12.762 0.969 -4.248 1.00 0.00 O ATOM 1416 NE2 GLN A 90 14.322 1.918 -2.941 1.00 0.00 N ATOM 0 H GLN A 90 9.339 2.182 -2.147 1.00 0.00 H new ATOM 0 HA GLN A 90 10.885 -0.052 -2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.207 2.392 -0.527 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.482 1.225 -0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.117 2.577 -3.142 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.360 3.422 -2.242 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.526 2.539 -2.158 1.00 0.00 H new ATOM 0 HE22 GLN A 90 15.084 1.458 -3.440 1.00 0.00 H new ATOM 1425 N ALA A 91 9.334 0.049 0.530 1.00 0.00 N ATOM 1426 CA ALA A 91 9.057 -0.685 1.758 1.00 0.00 C ATOM 1427 C ALA A 91 7.964 -1.726 1.541 1.00 0.00 C ATOM 1428 O ALA A 91 7.900 -2.730 2.249 1.00 0.00 O ATOM 1429 CB ALA A 91 8.660 0.275 2.869 1.00 0.00 C ATOM 0 H ALA A 91 8.670 0.796 0.326 1.00 0.00 H new ATOM 0 HA ALA A 91 9.967 -1.208 2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.456 -0.287 3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.473 0.978 3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.766 0.824 2.573 1.00 0.00 H new ATOM 1435 N ALA A 92 7.106 -1.479 0.556 1.00 0.00 N ATOM 1436 CA ALA A 92 6.016 -2.396 0.245 1.00 0.00 C ATOM 1437 C ALA A 92 6.527 -3.825 0.096 1.00 0.00 C ATOM 1438 O ALA A 92 6.075 -4.731 0.796 1.00 0.00 O ATOM 1439 CB ALA A 92 5.301 -1.955 -1.024 1.00 0.00 C ATOM 0 H ALA A 92 7.145 -0.652 -0.040 1.00 0.00 H new ATOM 0 HA ALA A 92 5.309 -2.375 1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.490 -2.649 -1.244 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.894 -0.954 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.006 -1.946 -1.855 1.00 0.00 H new ATOM 1445 N GLU A 93 7.471 -4.020 -0.820 1.00 0.00 N ATOM 1446 CA GLU A 93 8.041 -5.340 -1.061 1.00 0.00 C ATOM 1447 C GLU A 93 8.841 -5.815 0.149 1.00 0.00 C ATOM 1448 O GLU A 93 8.904 -7.011 0.433 1.00 0.00 O ATOM 1449 CB GLU A 93 8.936 -5.315 -2.301 1.00 0.00 C ATOM 1450 CG GLU A 93 10.382 -4.960 -2.001 1.00 0.00 C ATOM 1451 CD GLU A 93 10.552 -3.514 -1.576 1.00 0.00 C ATOM 1452 OE1 GLU A 93 9.529 -2.810 -1.444 1.00 0.00 O ATOM 1453 OE2 GLU A 93 11.708 -3.086 -1.376 1.00 0.00 O ATOM 0 H GLU A 93 7.857 -3.280 -1.407 1.00 0.00 H new ATOM 0 HA GLU A 93 7.220 -6.037 -1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.903 -6.292 -2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.534 -4.595 -3.014 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.756 -5.613 -1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.990 -5.148 -2.886 1.00 0.00 H new ATOM 1460 N ARG A 94 9.451 -4.870 0.856 1.00 0.00 N ATOM 1461 CA ARG A 94 10.249 -5.191 2.033 1.00 0.00 C ATOM 1462 C ARG A 94 9.397 -5.876 3.097 1.00 0.00 C ATOM 1463 O ARG A 94 9.908 -6.629 3.926 1.00 0.00 O ATOM 1464 CB ARG A 94 10.882 -3.923 2.608 1.00 0.00 C ATOM 1465 CG ARG A 94 12.128 -3.472 1.865 1.00 0.00 C ATOM 1466 CD ARG A 94 12.720 -2.214 2.481 1.00 0.00 C ATOM 1467 NE ARG A 94 14.146 -2.083 2.193 1.00 0.00 N ATOM 1468 CZ ARG A 94 15.072 -2.901 2.680 1.00 0.00 C ATOM 1469 NH1 ARG A 94 14.724 -3.905 3.473 1.00 0.00 N ATOM 1470 NH2 ARG A 94 16.350 -2.716 2.372 1.00 0.00 N ATOM 0 H ARG A 94 9.408 -3.875 0.634 1.00 0.00 H new ATOM 0 HA ARG A 94 11.040 -5.877 1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.146 -3.119 2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.136 -4.096 3.654 1.00 0.00 H new ATOM 0 HG2 ARG A 94 12.871 -4.270 1.880 1.00 0.00 H new ATOM 0 HG3 ARG A 94 11.882 -3.285 0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 94 12.191 -1.340 2.100 1.00 0.00 H new ATOM 0 HD3 ARG A 94 12.568 -2.233 3.560 1.00 0.00 H new ATOM 0 HE ARG A 94 14.447 -1.322 1.585 1.00 0.00 H new ATOM 0 HH11 ARG A 94 13.743 -4.051 3.711 1.00 0.00 H new ATOM 0 HH12 ARG A 94 15.437 -4.532 3.845 1.00 0.00 H new ATOM 0 HH21 ARG A 94 16.621 -1.945 1.761 1.00 0.00 H new ATOM 0 HH22 ARG A 94 17.061 -3.344 2.746 1.00 0.00 H new ATOM 1484 N TYR A 95 8.096 -5.608 3.068 1.00 0.00 N ATOM 1485 CA TYR A 95 7.173 -6.195 4.032 1.00 0.00 C ATOM 1486 C TYR A 95 6.890 -7.656 3.695 1.00 0.00 C ATOM 1487 O TYR A 95 7.021 -8.537 4.543 1.00 0.00 O ATOM 1488 CB TYR A 95 5.864 -5.404 4.064 1.00 0.00 C ATOM 1489 CG TYR A 95 4.681 -6.211 4.548 1.00 0.00 C ATOM 1490 CD1 TYR A 95 4.429 -6.365 5.906 1.00 0.00 C ATOM 1491 CD2 TYR A 95 3.814 -6.818 3.648 1.00 0.00 C ATOM 1492 CE1 TYR A 95 3.349 -7.102 6.353 1.00 0.00 C ATOM 1493 CE2 TYR A 95 2.731 -7.556 4.086 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.503 -7.695 5.439 1.00 0.00 C ATOM 1495 OH TYR A 95 1.426 -8.429 5.881 1.00 0.00 O ATOM 0 H TYR A 95 7.657 -4.988 2.387 1.00 0.00 H new ATOM 0 HA TYR A 95 7.639 -6.152 5.016 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.990 -4.536 4.711 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.652 -5.028 3.063 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.089 -5.901 6.624 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.990 -6.711 2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.168 -7.213 7.412 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.067 -8.021 3.373 1.00 0.00 H new ATOM 0 HH TYR A 95 1.613 -9.384 5.768 1.00 0.00 H new ATOM 1505 N GLY A 96 6.500 -7.904 2.448 1.00 0.00 N ATOM 1506 CA GLY A 96 6.205 -9.258 2.019 1.00 0.00 C ATOM 1507 C GLY A 96 5.706 -9.317 0.588 1.00 0.00 C ATOM 1508 O GLY A 96 5.902 -10.317 -0.103 1.00 0.00 O ATOM 0 H GLY A 96 6.383 -7.191 1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.102 -9.869 2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.454 -9.690 2.681 1.00 0.00 H new ATOM 1512 N ILE A 97 5.058 -8.245 0.145 1.00 0.00 N ATOM 1513 CA ILE A 97 4.530 -8.180 -1.212 1.00 0.00 C ATOM 1514 C ILE A 97 5.636 -8.378 -2.243 1.00 0.00 C ATOM 1515 O ILE A 97 6.796 -8.053 -1.994 1.00 0.00 O ATOM 1516 CB ILE A 97 3.829 -6.835 -1.479 1.00 0.00 C ATOM 1517 CG1 ILE A 97 2.920 -6.466 -0.305 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.032 -6.901 -2.773 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.033 -5.272 -0.579 1.00 0.00 C ATOM 0 H ILE A 97 4.886 -7.410 0.705 1.00 0.00 H new ATOM 0 HA ILE A 97 3.801 -8.985 -1.306 1.00 0.00 H new ATOM 0 HB ILE A 97 4.589 -6.060 -1.582 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.295 -7.324 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.536 -6.257 0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.542 -5.943 -2.948 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.703 -7.122 -3.603 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.279 -7.685 -2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.416 -5.068 0.296 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.652 -4.402 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.391 -5.484 -1.434 1.00 0.00 H new ATOM 1531 N ASN A 98 5.267 -8.913 -3.403 1.00 0.00 N ATOM 1532 CA ASN A 98 6.228 -9.154 -4.473 1.00 0.00 C ATOM 1533 C ASN A 98 6.443 -7.893 -5.305 1.00 0.00 C ATOM 1534 O ASN A 98 5.779 -6.877 -5.097 1.00 0.00 O ATOM 1535 CB ASN A 98 5.748 -10.295 -5.371 1.00 0.00 C ATOM 1536 CG ASN A 98 6.889 -10.972 -6.106 1.00 0.00 C ATOM 1537 OD1 ASN A 98 8.058 -10.660 -5.882 1.00 0.00 O ATOM 1538 ND2 ASN A 98 6.552 -11.903 -6.991 1.00 0.00 N ATOM 0 H ASN A 98 4.310 -9.188 -3.625 1.00 0.00 H new ATOM 0 HA ASN A 98 7.178 -9.434 -4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.221 -11.033 -4.766 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.032 -9.907 -6.096 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.276 -12.392 -7.518 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.569 -12.129 -7.144 1.00 0.00 H new ATOM 1545 N THR A 99 7.375 -7.965 -6.250 1.00 0.00 N ATOM 1546 CA THR A 99 7.678 -6.831 -7.114 1.00 0.00 C ATOM 1547 C THR A 99 6.844 -6.873 -8.389 1.00 0.00 C ATOM 1548 O THR A 99 7.111 -6.141 -9.343 1.00 0.00 O ATOM 1549 CB THR A 99 9.171 -6.795 -7.491 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.485 -7.896 -8.352 1.00 0.00 O ATOM 1551 CG2 THR A 99 10.045 -6.852 -6.247 1.00 0.00 C ATOM 0 H THR A 99 7.934 -8.798 -6.437 1.00 0.00 H new ATOM 0 HA THR A 99 7.431 -5.930 -6.552 1.00 0.00 H new ATOM 0 HB THR A 99 9.369 -5.858 -8.012 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.435 -7.865 -8.589 1.00 0.00 H new ATOM 0 HG21 THR A 99 11.095 -6.825 -6.538 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.824 -5.997 -5.608 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.843 -7.774 -5.702 1.00 0.00 H new ATOM 1559 N THR A 100 5.831 -7.734 -8.400 1.00 0.00 N ATOM 1560 CA THR A 100 4.958 -7.871 -9.559 1.00 0.00 C ATOM 1561 C THR A 100 3.680 -7.059 -9.384 1.00 0.00 C ATOM 1562 O THR A 100 3.209 -6.415 -10.322 1.00 0.00 O ATOM 1563 CB THR A 100 4.585 -9.345 -9.810 1.00 0.00 C ATOM 1564 OG1 THR A 100 5.770 -10.120 -10.026 1.00 0.00 O ATOM 1565 CG2 THR A 100 3.663 -9.472 -11.014 1.00 0.00 C ATOM 0 H THR A 100 5.595 -8.347 -7.619 1.00 0.00 H new ATOM 0 HA THR A 100 5.512 -7.492 -10.418 1.00 0.00 H new ATOM 0 HB THR A 100 4.062 -9.720 -8.930 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.525 -11.056 -10.183 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.413 -10.521 -11.172 1.00 0.00 H new ATOM 0 HG22 THR A 100 2.750 -8.905 -10.834 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.165 -9.081 -11.899 1.00 0.00 H new ATOM 1573 N ASP A 101 3.124 -7.092 -8.178 1.00 0.00 N ATOM 1574 CA ASP A 101 1.900 -6.357 -7.880 1.00 0.00 C ATOM 1575 C ASP A 101 2.201 -4.883 -7.624 1.00 0.00 C ATOM 1576 O ASP A 101 1.387 -4.012 -7.932 1.00 0.00 O ATOM 1577 CB ASP A 101 1.198 -6.965 -6.664 1.00 0.00 C ATOM 1578 CG ASP A 101 1.796 -6.492 -5.354 1.00 0.00 C ATOM 1579 OD1 ASP A 101 3.024 -6.267 -5.308 1.00 0.00 O ATOM 1580 OD2 ASP A 101 1.036 -6.347 -4.374 1.00 0.00 O ATOM 0 H ASP A 101 3.501 -7.620 -7.391 1.00 0.00 H new ATOM 0 HA ASP A 101 1.241 -6.431 -8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.140 -6.705 -6.692 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.261 -8.052 -6.717 1.00 0.00 H new ATOM 1585 N ILE A 102 3.373 -4.613 -7.060 1.00 0.00 N ATOM 1586 CA ILE A 102 3.780 -3.245 -6.764 1.00 0.00 C ATOM 1587 C ILE A 102 3.756 -2.380 -8.019 1.00 0.00 C ATOM 1588 O ILE A 102 4.343 -2.735 -9.042 1.00 0.00 O ATOM 1589 CB ILE A 102 5.191 -3.198 -6.148 1.00 0.00 C ATOM 1590 CG1 ILE A 102 5.143 -3.607 -4.675 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.789 -1.807 -6.299 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.502 -3.637 -4.011 1.00 0.00 C ATOM 0 H ILE A 102 4.057 -5.323 -6.799 1.00 0.00 H new ATOM 0 HA ILE A 102 3.064 -2.852 -6.042 1.00 0.00 H new ATOM 0 HB ILE A 102 5.827 -3.905 -6.680 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.499 -2.913 -4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.687 -4.594 -4.595 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.786 -1.790 -5.859 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.855 -1.552 -7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.155 -1.081 -5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.391 -3.935 -2.968 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.143 -4.352 -4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.952 -2.646 -4.059 1.00 0.00 H new ATOM 1604 N PHE A 103 3.076 -1.242 -7.934 1.00 0.00 N ATOM 1605 CA PHE A 103 2.976 -0.325 -9.063 1.00 0.00 C ATOM 1606 C PHE A 103 4.226 0.543 -9.172 1.00 0.00 C ATOM 1607 O PHE A 103 5.183 0.366 -8.418 1.00 0.00 O ATOM 1608 CB PHE A 103 1.737 0.562 -8.920 1.00 0.00 C ATOM 1609 CG PHE A 103 1.743 1.403 -7.675 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.272 0.892 -6.476 1.00 0.00 C ATOM 1611 CD2 PHE A 103 2.219 2.703 -7.704 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.276 1.664 -5.329 1.00 0.00 C ATOM 1613 CE2 PHE A 103 2.226 3.480 -6.560 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.754 2.959 -5.371 1.00 0.00 C ATOM 0 H PHE A 103 2.586 -0.933 -7.095 1.00 0.00 H new ATOM 0 HA PHE A 103 2.887 -0.919 -9.973 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.665 1.215 -9.790 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.847 -0.068 -8.919 1.00 0.00 H new ATOM 0 HD1 PHE A 103 0.898 -0.120 -6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.589 3.115 -8.631 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.906 1.255 -4.401 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.600 4.493 -6.596 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.759 3.563 -4.476 1.00 0.00 H new ATOM 1624 N GLN A 104 4.209 1.480 -10.114 1.00 0.00 N ATOM 1625 CA GLN A 104 5.342 2.374 -10.322 1.00 0.00 C ATOM 1626 C GLN A 104 5.024 3.780 -9.824 1.00 0.00 C ATOM 1627 O GLN A 104 3.900 4.263 -9.969 1.00 0.00 O ATOM 1628 CB GLN A 104 5.719 2.418 -11.804 1.00 0.00 C ATOM 1629 CG GLN A 104 6.642 1.288 -12.230 1.00 0.00 C ATOM 1630 CD GLN A 104 6.521 0.960 -13.705 1.00 0.00 C ATOM 1631 OE1 GLN A 104 5.555 1.351 -14.362 1.00 0.00 O ATOM 1632 NE2 GLN A 104 7.503 0.240 -14.235 1.00 0.00 N ATOM 0 H GLN A 104 3.424 1.640 -10.745 1.00 0.00 H new ATOM 0 HA GLN A 104 6.187 1.988 -9.751 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.809 2.379 -12.403 1.00 0.00 H new ATOM 0 HB3 GLN A 104 6.202 3.371 -12.020 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.673 1.562 -12.006 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.414 0.398 -11.644 1.00 0.00 H new ATOM 0 HE21 GLN A 104 8.284 -0.063 -13.654 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.476 -0.010 -15.223 1.00 0.00 H new ATOM 1641 N THR A 105 6.021 4.434 -9.236 1.00 0.00 N ATOM 1642 CA THR A 105 5.848 5.784 -8.716 1.00 0.00 C ATOM 1643 C THR A 105 5.010 6.636 -9.663 1.00 0.00 C ATOM 1644 O THR A 105 4.131 7.381 -9.232 1.00 0.00 O ATOM 1645 CB THR A 105 7.204 6.476 -8.485 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.972 5.742 -7.525 1.00 0.00 O ATOM 1647 CG2 THR A 105 7.008 7.905 -7.999 1.00 0.00 C ATOM 0 H THR A 105 6.957 4.050 -9.108 1.00 0.00 H new ATOM 0 HA THR A 105 5.330 5.690 -7.762 1.00 0.00 H new ATOM 0 HB THR A 105 7.739 6.502 -9.434 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.833 6.188 -7.385 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.980 8.373 -7.843 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.449 8.470 -8.745 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.454 7.897 -7.060 1.00 0.00 H new ATOM 1655 N VAL A 106 5.289 6.520 -10.958 1.00 0.00 N ATOM 1656 CA VAL A 106 4.560 7.278 -11.968 1.00 0.00 C ATOM 1657 C VAL A 106 3.169 6.696 -12.193 1.00 0.00 C ATOM 1658 O VAL A 106 2.177 7.425 -12.223 1.00 0.00 O ATOM 1659 CB VAL A 106 5.318 7.301 -13.308 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.497 5.890 -13.845 1.00 0.00 C ATOM 1661 CG2 VAL A 106 4.589 8.176 -14.317 1.00 0.00 C ATOM 0 H VAL A 106 6.015 5.908 -11.332 1.00 0.00 H new ATOM 0 HA VAL A 106 4.468 8.298 -11.594 1.00 0.00 H new ATOM 0 HB VAL A 106 6.307 7.727 -13.139 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.035 5.927 -14.792 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.065 5.297 -13.128 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.520 5.433 -14.000 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.138 8.181 -15.258 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.587 7.781 -14.484 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.519 9.194 -13.933 1.00 0.00 H new ATOM 1671 N ASP A 107 3.103 5.379 -12.352 1.00 0.00 N ATOM 1672 CA ASP A 107 1.833 4.698 -12.573 1.00 0.00 C ATOM 1673 C ASP A 107 0.715 5.357 -11.770 1.00 0.00 C ATOM 1674 O ASP A 107 -0.405 5.515 -12.258 1.00 0.00 O ATOM 1675 CB ASP A 107 1.948 3.221 -12.194 1.00 0.00 C ATOM 1676 CG ASP A 107 2.634 2.399 -13.267 1.00 0.00 C ATOM 1677 OD1 ASP A 107 2.819 2.921 -14.387 1.00 0.00 O ATOM 1678 OD2 ASP A 107 2.986 1.234 -12.988 1.00 0.00 O ATOM 0 H ASP A 107 3.915 4.761 -12.332 1.00 0.00 H new ATOM 0 HA ASP A 107 1.588 4.775 -13.632 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.504 3.131 -11.261 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.952 2.817 -12.012 1.00 0.00 H new ATOM 1683 N LEU A 108 1.027 5.738 -10.536 1.00 0.00 N ATOM 1684 CA LEU A 108 0.049 6.379 -9.664 1.00 0.00 C ATOM 1685 C LEU A 108 0.126 7.898 -9.783 1.00 0.00 C ATOM 1686 O LEU A 108 -0.897 8.577 -9.862 1.00 0.00 O ATOM 1687 CB LEU A 108 0.279 5.958 -8.211 1.00 0.00 C ATOM 1688 CG LEU A 108 -0.480 6.758 -7.152 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -1.965 6.434 -7.202 1.00 0.00 C ATOM 1690 CD2 LEU A 108 0.083 6.477 -5.767 1.00 0.00 C ATOM 0 H LEU A 108 1.949 5.614 -10.117 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.945 6.058 -9.976 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.004 4.908 -8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.345 6.031 -7.997 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.353 7.819 -7.365 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.489 7.012 -6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.360 6.687 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.112 5.370 -7.014 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.469 7.055 -5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.013 5.414 -5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.135 6.760 -5.738 1.00 0.00 H new ATOM 1702 N TRP A 109 1.346 8.424 -9.797 1.00 0.00 N ATOM 1703 CA TRP A 109 1.556 9.863 -9.909 1.00 0.00 C ATOM 1704 C TRP A 109 0.824 10.427 -11.121 1.00 0.00 C ATOM 1705 O TRP A 109 -0.041 11.293 -10.986 1.00 0.00 O ATOM 1706 CB TRP A 109 3.051 10.174 -10.010 1.00 0.00 C ATOM 1707 CG TRP A 109 3.391 11.583 -9.629 1.00 0.00 C ATOM 1708 CD1 TRP A 109 3.243 12.159 -8.399 1.00 0.00 C ATOM 1709 CD2 TRP A 109 3.935 12.594 -10.484 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.661 13.467 -8.439 1.00 0.00 N ATOM 1711 CE2 TRP A 109 4.091 13.758 -9.706 1.00 0.00 C ATOM 1712 CE3 TRP A 109 4.306 12.629 -11.831 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 4.602 14.942 -10.233 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 4.813 13.805 -12.352 1.00 0.00 C ATOM 1715 CH2 TRP A 109 4.958 14.948 -11.554 1.00 0.00 C ATOM 0 H TRP A 109 2.204 7.876 -9.732 1.00 0.00 H new ATOM 0 HA TRP A 109 1.153 10.335 -9.013 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.602 9.488 -9.366 1.00 0.00 H new ATOM 0 HB3 TRP A 109 3.385 9.991 -11.031 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.854 11.659 -7.524 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.652 14.116 -7.652 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.199 11.753 -12.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 4.713 15.824 -9.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 5.102 13.844 -13.392 1.00 0.00 H new ATOM 0 HH2 TRP A 109 5.359 15.851 -11.990 1.00 0.00 H new ATOM 1726 N GLU A 110 1.175 9.932 -12.303 1.00 0.00 N ATOM 1727 CA GLU A 110 0.550 10.390 -13.538 1.00 0.00 C ATOM 1728 C GLU A 110 -0.787 9.690 -13.763 1.00 0.00 C ATOM 1729 O GLU A 110 -1.459 9.918 -14.768 1.00 0.00 O ATOM 1730 CB GLU A 110 1.477 10.136 -14.729 1.00 0.00 C ATOM 1731 CG GLU A 110 2.578 11.173 -14.875 1.00 0.00 C ATOM 1732 CD GLU A 110 3.085 11.289 -16.299 1.00 0.00 C ATOM 1733 OE1 GLU A 110 2.290 11.058 -17.234 1.00 0.00 O ATOM 1734 OE2 GLU A 110 4.279 11.611 -16.479 1.00 0.00 O ATOM 0 H GLU A 110 1.888 9.214 -12.432 1.00 0.00 H new ATOM 0 HA GLU A 110 0.370 11.461 -13.448 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.930 9.150 -14.623 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.884 10.117 -15.643 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.204 12.143 -14.546 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.408 10.912 -14.218 1.00 0.00 H new ATOM 1741 N GLY A 111 -1.168 8.835 -12.817 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.422 8.115 -12.930 1.00 0.00 C ATOM 1743 C GLY A 111 -2.621 7.509 -14.305 1.00 0.00 C ATOM 1744 O GLY A 111 -3.692 7.636 -14.899 1.00 0.00 O ATOM 0 H GLY A 111 -0.630 8.629 -11.975 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.452 7.324 -12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.247 8.793 -12.712 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.586 6.850 -14.815 1.00 0.00 N ATOM 1749 CA LYS A 112 -1.651 6.222 -16.130 1.00 0.00 C ATOM 1750 C LYS A 112 -2.031 4.750 -16.012 1.00 0.00 C ATOM 1751 O LYS A 112 -2.843 4.245 -16.786 1.00 0.00 O ATOM 1752 CB LYS A 112 -0.306 6.356 -16.848 1.00 0.00 C ATOM 1753 CG LYS A 112 0.772 5.439 -16.297 1.00 0.00 C ATOM 1754 CD LYS A 112 2.054 5.537 -17.107 1.00 0.00 C ATOM 1755 CE LYS A 112 3.016 4.409 -16.766 1.00 0.00 C ATOM 1756 NZ LYS A 112 4.029 4.200 -17.837 1.00 0.00 N ATOM 0 H LYS A 112 -0.692 6.737 -14.338 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.419 6.732 -16.711 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.446 6.142 -17.908 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.035 7.389 -16.774 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.976 5.699 -15.258 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.414 4.410 -16.304 1.00 0.00 H new ATOM 0 HD2 LYS A 112 1.817 5.506 -18.170 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.534 6.497 -16.916 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.522 4.635 -15.827 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.455 3.487 -16.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.665 3.423 -17.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.548 3.960 -18.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.582 5.071 -17.966 1.00 0.00 H new ATOM 1770 N ASN A 113 -1.440 4.067 -15.037 1.00 0.00 N ATOM 1771 CA ASN A 113 -1.718 2.652 -14.817 1.00 0.00 C ATOM 1772 C ASN A 113 -2.392 2.434 -13.466 1.00 0.00 C ATOM 1773 O ASN A 113 -1.875 1.714 -12.612 1.00 0.00 O ATOM 1774 CB ASN A 113 -0.424 1.839 -14.892 1.00 0.00 C ATOM 1775 CG ASN A 113 0.212 1.889 -16.267 1.00 0.00 C ATOM 1776 OD1 ASN A 113 -0.368 2.423 -17.213 1.00 0.00 O ATOM 1777 ND2 ASN A 113 1.411 1.331 -16.385 1.00 0.00 N ATOM 0 H ASN A 113 -0.766 4.470 -14.387 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.397 2.314 -15.600 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.283 2.218 -14.154 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.634 0.802 -14.629 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.888 1.334 -17.286 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.855 0.900 -15.574 1.00 0.00 H new ATOM 1784 N MET A 114 -3.549 3.060 -13.280 1.00 0.00 N ATOM 1785 CA MET A 114 -4.295 2.933 -12.033 1.00 0.00 C ATOM 1786 C MET A 114 -4.657 1.476 -11.763 1.00 0.00 C ATOM 1787 O MET A 114 -5.103 1.130 -10.669 1.00 0.00 O ATOM 1788 CB MET A 114 -5.564 3.786 -12.084 1.00 0.00 C ATOM 1789 CG MET A 114 -6.088 4.177 -10.712 1.00 0.00 C ATOM 1790 SD MET A 114 -4.875 5.089 -9.739 1.00 0.00 S ATOM 1791 CE MET A 114 -5.360 4.631 -8.077 1.00 0.00 C ATOM 0 H MET A 114 -3.991 3.660 -13.976 1.00 0.00 H new ATOM 0 HA MET A 114 -3.661 3.288 -11.221 1.00 0.00 H new ATOM 0 HB2 MET A 114 -5.361 4.690 -12.658 1.00 0.00 H new ATOM 0 HB3 MET A 114 -6.340 3.237 -12.617 1.00 0.00 H new ATOM 0 HG2 MET A 114 -6.985 4.785 -10.830 1.00 0.00 H new ATOM 0 HG3 MET A 114 -6.381 3.278 -10.170 1.00 0.00 H new ATOM 0 HE1 MET A 114 -4.548 4.857 -7.386 1.00 0.00 H new ATOM 0 HE2 MET A 114 -6.248 5.193 -7.789 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.579 3.564 -8.043 1.00 0.00 H new ATOM 1801 N ALA A 115 -4.464 0.627 -12.767 1.00 0.00 N ATOM 1802 CA ALA A 115 -4.769 -0.792 -12.636 1.00 0.00 C ATOM 1803 C ALA A 115 -3.604 -1.548 -12.006 1.00 0.00 C ATOM 1804 O ALA A 115 -3.585 -2.780 -11.994 1.00 0.00 O ATOM 1805 CB ALA A 115 -5.112 -1.386 -13.995 1.00 0.00 C ATOM 0 H ALA A 115 -4.098 0.897 -13.680 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.632 -0.893 -11.979 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.338 -2.446 -13.882 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.980 -0.872 -14.408 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.264 -1.265 -14.669 1.00 0.00 H new ATOM 1811 N CYS A 116 -2.636 -0.804 -11.483 1.00 0.00 N ATOM 1812 CA CYS A 116 -1.466 -1.405 -10.852 1.00 0.00 C ATOM 1813 C CYS A 116 -1.480 -1.169 -9.345 1.00 0.00 C ATOM 1814 O CYS A 116 -1.208 -2.078 -8.561 1.00 0.00 O ATOM 1815 CB CYS A 116 -0.184 -0.834 -11.458 1.00 0.00 C ATOM 1816 SG CYS A 116 0.262 -1.554 -13.056 1.00 0.00 S ATOM 0 H CYS A 116 -2.638 0.216 -11.483 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.497 -2.479 -11.034 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.299 0.243 -11.577 1.00 0.00 H new ATOM 0 HB3 CYS A 116 0.637 -0.992 -10.759 1.00 0.00 H new ATOM 0 HG CYS A 116 1.358 -1.005 -13.488 1.00 0.00 H new ATOM 1822 N VAL A 117 -1.797 0.059 -8.947 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.846 0.415 -7.534 1.00 0.00 C ATOM 1824 C VAL A 117 -3.139 -0.071 -6.889 1.00 0.00 C ATOM 1825 O VAL A 117 -3.156 -0.444 -5.716 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.727 1.938 -7.335 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.671 2.675 -8.274 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -2.007 2.309 -5.886 1.00 0.00 C ATOM 0 H VAL A 117 -2.024 0.824 -9.583 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.998 -0.074 -7.055 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.707 2.239 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.573 3.749 -8.119 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.419 2.433 -9.307 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.698 2.371 -8.070 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.919 3.388 -5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -3.016 1.995 -5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.287 1.810 -5.237 1.00 0.00 H new ATOM 1838 N GLN A 118 -4.219 -0.065 -7.663 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.517 -0.506 -7.166 1.00 0.00 C ATOM 1840 C GLN A 118 -5.421 -1.899 -6.553 1.00 0.00 C ATOM 1841 O GLN A 118 -6.102 -2.206 -5.575 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.547 -0.503 -8.297 1.00 0.00 C ATOM 1843 CG GLN A 118 -7.224 0.843 -8.500 1.00 0.00 C ATOM 1844 CD GLN A 118 -7.983 1.306 -7.272 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -7.698 2.366 -6.715 1.00 0.00 O ATOM 1846 NE2 GLN A 118 -8.956 0.511 -6.843 1.00 0.00 N ATOM 0 H GLN A 118 -4.221 0.240 -8.636 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.837 0.190 -6.391 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.056 -0.797 -9.225 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.308 -1.255 -8.086 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -6.472 1.588 -8.760 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.911 0.776 -9.343 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -9.158 -0.359 -7.336 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.501 0.770 -6.021 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.571 -2.738 -7.135 1.00 0.00 N ATOM 1856 CA ARG A 119 -4.387 -4.100 -6.647 1.00 0.00 C ATOM 1857 C ARG A 119 -3.389 -4.133 -5.493 1.00 0.00 C ATOM 1858 O ARG A 119 -3.674 -4.680 -4.426 1.00 0.00 O ATOM 1859 CB ARG A 119 -3.904 -5.009 -7.778 1.00 0.00 C ATOM 1860 CG ARG A 119 -3.859 -6.481 -7.400 1.00 0.00 C ATOM 1861 CD ARG A 119 -5.202 -7.156 -7.627 1.00 0.00 C ATOM 1862 NE ARG A 119 -5.149 -8.588 -7.347 1.00 0.00 N ATOM 1863 CZ ARG A 119 -6.198 -9.397 -7.451 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -7.375 -8.916 -7.825 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -6.070 -10.689 -7.179 1.00 0.00 N ATOM 0 H ARG A 119 -3.999 -2.499 -7.945 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.349 -4.462 -6.284 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.561 -4.884 -8.639 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.908 -4.692 -8.088 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.093 -6.986 -7.989 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.573 -6.580 -6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.954 -6.690 -6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -5.516 -7.000 -8.659 1.00 0.00 H new ATOM 0 HE ARG A 119 -4.258 -8.989 -7.056 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -7.477 -7.923 -8.034 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -8.179 -9.539 -7.904 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -5.166 -11.062 -6.890 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -6.876 -11.309 -7.259 1.00 0.00 H new ATOM 1879 N THR A 120 -2.217 -3.545 -5.712 1.00 0.00 N ATOM 1880 CA THR A 120 -1.177 -3.508 -4.692 1.00 0.00 C ATOM 1881 C THR A 120 -1.775 -3.305 -3.305 1.00 0.00 C ATOM 1882 O THR A 120 -1.698 -4.188 -2.449 1.00 0.00 O ATOM 1883 CB THR A 120 -0.158 -2.387 -4.969 1.00 0.00 C ATOM 1884 OG1 THR A 120 0.352 -2.506 -6.302 1.00 0.00 O ATOM 1885 CG2 THR A 120 0.992 -2.443 -3.974 1.00 0.00 C ATOM 0 H THR A 120 -1.964 -3.087 -6.588 1.00 0.00 H new ATOM 0 HA THR A 120 -0.665 -4.470 -4.727 1.00 0.00 H new ATOM 0 HB THR A 120 -0.667 -1.429 -4.859 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.592 -3.440 -6.478 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.699 -1.642 -4.189 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.604 -2.322 -2.962 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.498 -3.405 -4.056 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.370 -2.138 -3.087 1.00 0.00 N ATOM 1894 CA LEU A 121 -2.983 -1.819 -1.802 1.00 0.00 C ATOM 1895 C LEU A 121 -3.728 -3.025 -1.240 1.00 0.00 C ATOM 1896 O LEU A 121 -3.398 -3.525 -0.165 1.00 0.00 O ATOM 1897 CB LEU A 121 -3.942 -0.637 -1.952 1.00 0.00 C ATOM 1898 CG LEU A 121 -3.319 0.678 -2.422 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -4.273 1.837 -2.179 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -1.991 0.921 -1.718 1.00 0.00 C ATOM 0 H LEU A 121 -2.441 -1.396 -3.784 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.189 -1.549 -1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.725 -0.917 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.426 -0.463 -0.991 1.00 0.00 H new ATOM 0 HG LEU A 121 -3.132 0.607 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.813 2.765 -2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.199 1.668 -2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.492 1.911 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.562 1.861 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.154 0.972 -0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.305 0.104 -1.943 1.00 0.00 H new ATOM 1912 N MET A 122 -4.733 -3.489 -1.975 1.00 0.00 N ATOM 1913 CA MET A 122 -5.522 -4.640 -1.551 1.00 0.00 C ATOM 1914 C MET A 122 -4.624 -5.738 -0.991 1.00 0.00 C ATOM 1915 O MET A 122 -4.783 -6.159 0.154 1.00 0.00 O ATOM 1916 CB MET A 122 -6.343 -5.182 -2.722 1.00 0.00 C ATOM 1917 CG MET A 122 -7.690 -4.498 -2.890 1.00 0.00 C ATOM 1918 SD MET A 122 -8.756 -4.702 -1.450 1.00 0.00 S ATOM 1919 CE MET A 122 -9.029 -6.471 -1.478 1.00 0.00 C ATOM 0 H MET A 122 -5.020 -3.086 -2.867 1.00 0.00 H new ATOM 0 HA MET A 122 -6.200 -4.314 -0.763 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.769 -5.066 -3.641 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.503 -6.251 -2.579 1.00 0.00 H new ATOM 0 HG2 MET A 122 -7.533 -3.435 -3.074 1.00 0.00 H new ATOM 0 HG3 MET A 122 -8.192 -4.903 -3.769 1.00 0.00 H new ATOM 0 HE1 MET A 122 -10.100 -6.674 -1.453 1.00 0.00 H new ATOM 0 HE2 MET A 122 -8.601 -6.891 -2.388 1.00 0.00 H new ATOM 0 HE3 MET A 122 -8.553 -6.926 -0.610 1.00 0.00 H new ATOM 1929 N ASN A 123 -3.682 -6.199 -1.807 1.00 0.00 N ATOM 1930 CA ASN A 123 -2.759 -7.250 -1.392 1.00 0.00 C ATOM 1931 C ASN A 123 -2.242 -6.994 0.020 1.00 0.00 C ATOM 1932 O ASN A 123 -2.379 -7.840 0.906 1.00 0.00 O ATOM 1933 CB ASN A 123 -1.585 -7.341 -2.369 1.00 0.00 C ATOM 1934 CG ASN A 123 -1.888 -8.233 -3.557 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -2.534 -9.272 -3.418 1.00 0.00 O ATOM 1936 ND2 ASN A 123 -1.422 -7.830 -4.733 1.00 0.00 N ATOM 0 H ASN A 123 -3.537 -5.862 -2.759 1.00 0.00 H new ATOM 0 HA ASN A 123 -3.300 -8.196 -1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -1.333 -6.342 -2.724 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -0.709 -7.724 -1.845 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -1.595 -8.389 -5.569 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -0.891 -6.962 -4.801 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.649 -5.823 0.224 1.00 0.00 N ATOM 1944 CA LEU A 124 -1.111 -5.455 1.529 1.00 0.00 C ATOM 1945 C LEU A 124 -1.974 -6.021 2.653 1.00 0.00 C ATOM 1946 O LEU A 124 -1.470 -6.667 3.571 1.00 0.00 O ATOM 1947 CB LEU A 124 -1.024 -3.933 1.655 1.00 0.00 C ATOM 1948 CG LEU A 124 -0.251 -3.403 2.864 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.239 -3.656 2.697 1.00 0.00 C ATOM 1950 CD2 LEU A 124 -0.523 -1.919 3.062 1.00 0.00 C ATOM 0 H LEU A 124 -1.529 -5.112 -0.497 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.111 -5.879 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.559 -3.539 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.037 -3.533 1.693 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.592 -3.936 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.773 -3.272 3.566 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.418 -4.727 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.596 -3.150 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.035 -1.559 3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.210 -1.370 2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.589 -1.763 3.228 1.00 0.00 H new ATOM 1962 N GLY A 125 -3.278 -5.775 2.572 1.00 0.00 N ATOM 1963 CA GLY A 125 -4.190 -6.269 3.587 1.00 0.00 C ATOM 1964 C GLY A 125 -4.197 -7.782 3.674 1.00 0.00 C ATOM 1965 O GLY A 125 -4.034 -8.350 4.753 1.00 0.00 O ATOM 0 H GLY A 125 -3.719 -5.243 1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.910 -5.854 4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.198 -5.916 3.368 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.387 -8.439 2.533 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.413 -9.889 2.507 1.00 0.00 C ATOM 1971 C GLY A 126 -3.257 -10.503 3.272 1.00 0.00 C ATOM 1972 O GLY A 126 -3.449 -11.417 4.075 1.00 0.00 O ATOM 0 H GLY A 126 -4.523 -7.992 1.626 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.353 -10.240 2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.383 -10.231 1.473 1.00 0.00 H new ATOM 1976 N LEU A 127 -2.052 -10.002 3.022 1.00 0.00 N ATOM 1977 CA LEU A 127 -0.859 -10.508 3.691 1.00 0.00 C ATOM 1978 C LEU A 127 -0.912 -10.223 5.189 1.00 0.00 C ATOM 1979 O LEU A 127 -0.642 -11.100 6.008 1.00 0.00 O ATOM 1980 CB LEU A 127 0.396 -9.879 3.085 1.00 0.00 C ATOM 1981 CG LEU A 127 0.838 -10.433 1.731 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.529 -9.354 0.911 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.757 -11.632 1.919 1.00 0.00 C ATOM 0 H LEU A 127 -1.876 -9.246 2.361 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.822 -11.588 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.226 -8.808 2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.217 -10.003 3.791 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.049 -10.761 1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.836 -9.768 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.840 -8.526 0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.406 -8.994 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 127 2.062 -12.013 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.640 -11.329 2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.229 -12.413 2.465 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.265 -8.990 5.539 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.358 -8.590 6.937 1.00 0.00 C ATOM 1997 C ALA A 128 -2.231 -9.559 7.728 1.00 0.00 C ATOM 1998 O ALA A 128 -1.850 -10.012 8.808 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.906 -7.174 7.046 1.00 0.00 C ATOM 0 H ALA A 128 -1.491 -8.251 4.873 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.355 -8.614 7.363 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.970 -6.888 8.096 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.242 -6.486 6.523 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.899 -7.132 6.598 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.403 -9.871 7.185 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.329 -10.787 7.840 1.00 0.00 C ATOM 2007 C VAL A 129 -3.695 -12.158 8.043 1.00 0.00 C ATOM 2008 O VAL A 129 -4.155 -12.951 8.865 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.627 -10.950 7.026 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.649 -11.761 7.808 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.192 -9.589 6.647 1.00 0.00 C ATOM 0 H VAL A 129 -3.734 -9.503 6.293 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.569 -10.353 8.811 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.395 -11.490 6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.559 -11.866 7.218 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.241 -12.748 8.025 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.880 -11.251 8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.109 -9.723 6.072 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.410 -9.021 7.551 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.462 -9.047 6.045 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.634 -12.431 7.290 1.00 0.00 N ATOM 2022 CA ALA A 130 -1.935 -13.706 7.390 1.00 0.00 C ATOM 2023 C ALA A 130 -0.788 -13.626 8.392 1.00 0.00 C ATOM 2024 O ALA A 130 0.027 -14.543 8.491 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.416 -14.132 6.024 1.00 0.00 C ATOM 0 H ALA A 130 -2.240 -11.786 6.605 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.643 -14.454 7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -0.896 -15.086 6.114 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.253 -14.238 5.334 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.727 -13.377 5.645 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.731 -12.524 9.132 1.00 0.00 N ATOM 2032 CA ARG A 131 0.318 -12.324 10.125 1.00 0.00 C ATOM 2033 C ARG A 131 -0.202 -12.611 11.530 1.00 0.00 C ATOM 2034 O ARG A 131 -1.345 -13.035 11.706 1.00 0.00 O ATOM 2035 CB ARG A 131 0.854 -10.893 10.051 1.00 0.00 C ATOM 2036 CG ARG A 131 1.131 -10.419 8.633 1.00 0.00 C ATOM 2037 CD ARG A 131 2.487 -10.899 8.140 1.00 0.00 C ATOM 2038 NE ARG A 131 3.586 -10.303 8.896 1.00 0.00 N ATOM 2039 CZ ARG A 131 4.136 -10.871 9.964 1.00 0.00 C ATOM 2040 NH1 ARG A 131 3.692 -12.043 10.398 1.00 0.00 N ATOM 2041 NH2 ARG A 131 5.133 -10.268 10.598 1.00 0.00 N ATOM 0 H ARG A 131 -1.399 -11.756 9.063 1.00 0.00 H new ATOM 0 HA ARG A 131 1.128 -13.020 9.906 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.134 -10.220 10.516 1.00 0.00 H new ATOM 0 HB3 ARG A 131 1.773 -10.828 10.633 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.350 -10.785 7.967 1.00 0.00 H new ATOM 0 HG3 ARG A 131 1.095 -9.330 8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 131 2.538 -11.985 8.220 1.00 0.00 H new ATOM 0 HD3 ARG A 131 2.597 -10.652 7.084 1.00 0.00 H new ATOM 0 HE ARG A 131 3.951 -9.402 8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 131 2.927 -12.510 9.912 1.00 0.00 H new ATOM 0 HH12 ARG A 131 4.116 -12.477 11.218 1.00 0.00 H new ATOM 0 HH21 ARG A 131 5.478 -9.367 10.266 1.00 0.00 H new ATOM 0 HH22 ARG A 131 5.554 -10.705 11.418 1.00 0.00 H new ATOM 2055 N ASP A 132 0.643 -12.377 12.528 1.00 0.00 N ATOM 2056 CA ASP A 132 0.269 -12.611 13.918 1.00 0.00 C ATOM 2057 C ASP A 132 0.625 -11.407 14.785 1.00 0.00 C ATOM 2058 O ASP A 132 0.457 -11.437 16.004 1.00 0.00 O ATOM 2059 CB ASP A 132 0.965 -13.863 14.452 1.00 0.00 C ATOM 2060 CG ASP A 132 0.623 -15.103 13.650 1.00 0.00 C ATOM 2061 OD1 ASP A 132 1.066 -15.199 12.486 1.00 0.00 O ATOM 2062 OD2 ASP A 132 -0.089 -15.978 14.186 1.00 0.00 O ATOM 0 H ASP A 132 1.592 -12.025 12.400 1.00 0.00 H new ATOM 0 HA ASP A 132 -0.810 -12.760 13.959 1.00 0.00 H new ATOM 0 HB2 ASP A 132 2.044 -13.710 14.436 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.680 -14.017 15.493 1.00 0.00 H new ATOM 2067 N ASP A 133 1.117 -10.350 14.149 1.00 0.00 N ATOM 2068 CA ASP A 133 1.496 -9.136 14.862 1.00 0.00 C ATOM 2069 C ASP A 133 0.328 -8.601 15.683 1.00 0.00 C ATOM 2070 O ASP A 133 0.509 -8.126 16.804 1.00 0.00 O ATOM 2071 CB ASP A 133 1.975 -8.069 13.876 1.00 0.00 C ATOM 2072 CG ASP A 133 3.136 -8.544 13.026 1.00 0.00 C ATOM 2073 OD1 ASP A 133 4.033 -9.222 13.572 1.00 0.00 O ATOM 2074 OD2 ASP A 133 3.149 -8.239 11.816 1.00 0.00 O ATOM 0 H ASP A 133 1.263 -10.309 13.140 1.00 0.00 H new ATOM 0 HA ASP A 133 2.311 -9.383 15.542 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.148 -7.781 13.227 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.273 -7.177 14.427 1.00 0.00 H new ATOM 2079 N GLY A 134 -0.873 -8.680 15.117 1.00 0.00 N ATOM 2080 CA GLY A 134 -2.053 -8.198 15.810 1.00 0.00 C ATOM 2081 C GLY A 134 -2.198 -6.692 15.732 1.00 0.00 C ATOM 2082 O GLY A 134 -2.624 -6.050 16.693 1.00 0.00 O ATOM 0 H GLY A 134 -1.049 -9.069 14.191 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -2.939 -8.668 15.382 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.005 -8.501 16.856 1.00 0.00 H new ATOM 2086 N LEU A 135 -1.841 -6.124 14.585 1.00 0.00 N ATOM 2087 CA LEU A 135 -1.931 -4.681 14.385 1.00 0.00 C ATOM 2088 C LEU A 135 -2.946 -4.345 13.297 1.00 0.00 C ATOM 2089 O LEU A 135 -3.749 -3.424 13.445 1.00 0.00 O ATOM 2090 CB LEU A 135 -0.561 -4.111 14.014 1.00 0.00 C ATOM 2091 CG LEU A 135 0.617 -4.588 14.864 1.00 0.00 C ATOM 2092 CD1 LEU A 135 1.936 -4.261 14.181 1.00 0.00 C ATOM 2093 CD2 LEU A 135 0.563 -3.962 16.250 1.00 0.00 C ATOM 0 H LEU A 135 -1.487 -6.640 13.780 1.00 0.00 H new ATOM 0 HA LEU A 135 -2.264 -4.229 15.319 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -0.356 -4.360 12.973 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -0.613 -3.024 14.078 1.00 0.00 H new ATOM 0 HG LEU A 135 0.546 -5.670 14.973 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.763 -4.608 14.801 1.00 0.00 H new ATOM 0 HD12 LEU A 135 1.976 -4.757 13.211 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.016 -3.183 14.041 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.409 -4.313 16.841 1.00 0.00 H new ATOM 0 HD22 LEU A 135 0.608 -2.877 16.161 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -0.367 -4.248 16.742 1.00 0.00 H new ATOM 2105 N PHE A 136 -2.905 -5.100 12.204 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.822 -4.883 11.091 1.00 0.00 C ATOM 2107 C PHE A 136 -5.195 -4.445 11.594 1.00 0.00 C ATOM 2108 O PHE A 136 -5.755 -5.052 12.506 1.00 0.00 O ATOM 2109 CB PHE A 136 -3.955 -6.158 10.256 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.275 -6.276 9.549 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.374 -6.822 10.192 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.417 -5.842 8.241 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.589 -6.933 9.543 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -6.630 -5.950 7.587 1.00 0.00 C ATOM 2115 CZ PHE A 136 -7.718 -6.495 8.239 1.00 0.00 C ATOM 0 H PHE A 136 -2.247 -5.867 12.065 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.413 -4.089 10.466 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.153 -6.185 9.518 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.821 -7.023 10.905 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.280 -7.165 11.212 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.570 -5.414 7.726 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.438 -7.362 10.055 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.726 -5.608 6.567 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.667 -6.579 7.731 1.00 0.00 H new ATOM 2125 N SER A 137 -5.730 -3.388 10.992 1.00 0.00 N ATOM 2126 CA SER A 137 -7.034 -2.865 11.382 1.00 0.00 C ATOM 2127 C SER A 137 -8.073 -3.135 10.297 1.00 0.00 C ATOM 2128 O SER A 137 -7.744 -3.611 9.212 1.00 0.00 O ATOM 2129 CB SER A 137 -6.945 -1.363 11.656 1.00 0.00 C ATOM 2130 OG SER A 137 -6.628 -1.110 13.014 1.00 0.00 O ATOM 0 H SER A 137 -5.281 -2.877 10.232 1.00 0.00 H new ATOM 0 HA SER A 137 -7.344 -3.375 12.294 1.00 0.00 H new ATOM 0 HB2 SER A 137 -6.186 -0.917 11.013 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.894 -0.888 11.406 1.00 0.00 H new ATOM 0 HG SER A 137 -6.575 -0.143 13.163 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.330 -2.825 10.600 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.399 -3.041 9.643 1.00 0.00 C ATOM 2138 C GLY A 138 -10.942 -4.455 9.688 1.00 0.00 C ATOM 2139 O GLY A 138 -10.467 -5.285 10.463 1.00 0.00 O ATOM 0 H GLY A 138 -9.627 -2.428 11.491 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.208 -2.338 9.842 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -10.032 -2.828 8.639 1.00 0.00 H new ATOM 2143 N ASP A 139 -11.941 -4.730 8.857 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.550 -6.054 8.806 1.00 0.00 C ATOM 2145 C ASP A 139 -11.635 -7.046 8.095 1.00 0.00 C ATOM 2146 O ASP A 139 -11.071 -6.761 7.039 1.00 0.00 O ATOM 2147 CB ASP A 139 -13.903 -5.989 8.095 1.00 0.00 C ATOM 2148 CG ASP A 139 -15.036 -5.632 9.037 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -15.132 -6.257 10.114 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -15.826 -4.727 8.698 1.00 0.00 O ATOM 0 H ASP A 139 -12.346 -4.054 8.210 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.702 -6.397 9.829 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -13.854 -5.251 7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -14.112 -6.952 7.629 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.482 -8.240 8.688 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.636 -9.298 8.129 1.00 0.00 C ATOM 2157 C PRO A 140 -11.221 -9.897 6.855 1.00 0.00 C ATOM 2158 O PRO A 140 -10.535 -10.601 6.117 1.00 0.00 O ATOM 2159 CB PRO A 140 -10.597 -10.347 9.244 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.852 -10.126 10.016 1.00 0.00 C ATOM 2161 CD PRO A 140 -12.124 -8.648 9.949 1.00 0.00 C ATOM 0 HA PRO A 140 -9.653 -8.924 7.841 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.556 -11.357 8.836 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.717 -10.222 9.875 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -12.678 -10.695 9.589 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -11.738 -10.456 11.049 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -13.193 -8.436 9.943 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.700 -8.122 10.804 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.494 -9.610 6.602 1.00 0.00 N ATOM 2170 CA ASN A 141 -13.172 -10.120 5.416 1.00 0.00 C ATOM 2171 C ASN A 141 -12.714 -9.377 4.166 1.00 0.00 C ATOM 2172 O ASN A 141 -12.416 -9.990 3.141 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.688 -9.990 5.574 1.00 0.00 C ATOM 2174 CG ASN A 141 -15.266 -11.043 6.500 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -15.654 -12.126 6.061 1.00 0.00 O ATOM 2176 ND2 ASN A 141 -15.326 -10.729 7.789 1.00 0.00 N ATOM 0 H ASN A 141 -13.077 -9.027 7.203 1.00 0.00 H new ATOM 0 HA ASN A 141 -12.914 -11.173 5.306 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.926 -8.999 5.961 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -15.161 -10.072 4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -15.705 -11.397 8.460 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -14.993 -9.819 8.108 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.660 -8.053 4.258 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.237 -7.225 3.134 1.00 0.00 C ATOM 2185 C TRP A 142 -11.130 -7.910 2.340 1.00 0.00 C ATOM 2186 O TRP A 142 -11.143 -7.905 1.108 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.756 -5.861 3.631 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.852 -5.020 4.212 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -14.193 -5.152 3.988 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.700 -3.916 5.111 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.884 -4.197 4.694 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -13.991 -3.426 5.391 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.600 -3.294 5.708 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -14.209 -2.345 6.241 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.818 -2.221 6.550 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -13.113 -1.755 6.811 1.00 0.00 C ATOM 0 H TRP A 142 -12.904 -7.530 5.099 1.00 0.00 H new ATOM 0 HA TRP A 142 -13.095 -7.082 2.477 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -10.983 -6.009 4.385 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -11.295 -5.323 2.803 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.644 -5.897 3.350 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.897 -4.081 4.699 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.597 -3.646 5.514 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -15.207 -1.985 6.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -10.975 -1.732 7.016 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -13.249 -0.914 7.475 1.00 0.00 H new ATOM 2207 N PHE A 143 -10.174 -8.498 3.051 1.00 0.00 N ATOM 2208 CA PHE A 143 -9.060 -9.187 2.411 1.00 0.00 C ATOM 2209 C PHE A 143 -9.040 -10.664 2.795 1.00 0.00 C ATOM 2210 O PHE A 143 -8.955 -11.025 3.969 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.734 -8.529 2.802 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.805 -7.030 2.866 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -8.282 -6.394 4.001 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -7.395 -6.257 1.792 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -8.348 -5.015 4.064 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -7.459 -4.878 1.849 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.937 -4.256 2.986 1.00 0.00 C ATOM 0 H PHE A 143 -10.148 -8.511 4.071 1.00 0.00 H new ATOM 0 HA PHE A 143 -9.191 -9.112 1.332 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.420 -8.912 3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -6.968 -8.818 2.083 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -8.606 -6.983 4.846 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -7.021 -6.738 0.900 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -8.720 -4.532 4.955 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -7.135 -4.287 1.005 1.00 0.00 H new ATOM 0 HZ PHE A 143 -7.989 -3.178 3.032 1.00 0.00 H new ATOM 2227 N PRO A 144 -9.121 -11.539 1.781 1.00 0.00 N ATOM 2228 CA PRO A 144 -9.115 -12.990 1.987 1.00 0.00 C ATOM 2229 C PRO A 144 -7.757 -13.504 2.451 1.00 0.00 C ATOM 2230 O PRO A 144 -6.727 -13.197 1.850 1.00 0.00 O ATOM 2231 CB PRO A 144 -9.452 -13.546 0.601 1.00 0.00 C ATOM 2232 CG PRO A 144 -9.008 -12.488 -0.350 1.00 0.00 C ATOM 2233 CD PRO A 144 -9.225 -11.179 0.357 1.00 0.00 C ATOM 0 HA PRO A 144 -9.815 -13.294 2.765 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -8.935 -14.487 0.416 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -10.519 -13.744 0.503 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -7.959 -12.618 -0.617 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -9.580 -12.531 -1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -8.475 -10.440 0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -10.199 -10.751 0.121 1.00 0.00 H new