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 -133:sc= -1.97 (180deg=-4.71!) USER MOD Set 1.2: A 118 GLN : amide:sc= -1.43 K(o=-3.4,f=-9.7!) USER MOD Set 2.1: A 113 ASN : amide:sc= -6.67! C(o=-6.7!,f=-19!) USER MOD Set 2.2: A 116 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 84 GLN : amide:sc= -0.035 X(o=-0.37,f=-0.07) USER MOD Set 3.2: A 87 GLN : amide:sc= -0.331 X(o=-0.37,f=-0.063) USER MOD Set 4.1: A 38 GLN : amide:sc= -0.652 K(o=-3.4,f=-4.1!) USER MOD Set 4.2: A 43 ASN : amide:sc= -2.71 K(o=-3.4,f=-4.6!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot -101:sc= 1.25 USER MOD Single : A 28 THR OG1 : rot 107:sc= 1.28 USER MOD Single : A 29 GLN : amide:sc= -3.3 K(o=-3.3,f=-4.3!) USER MOD Single : A 30 CYS SG : rot -27:sc= 0.613 USER MOD Single : A 32 LYS NZ :NH3+ 136:sc= -1.46! (180deg=-3.48!) USER MOD Single : A 45 GLN : amide:sc= -4.94! C(o=-4.9!,f=-8.2!) USER MOD Single : A 46 ASN : amide:sc= 0.096 X(o=0.096,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0249) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : A 55 CYS SG : rot 54:sc= -0.527 USER MOD Single : A 59 ASN : amide:sc= -8.81! C(o=-8.8!,f=-11!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -3.65! C(o=-3.6!,f=-7.5!) USER MOD Single : A 70 LYS NZ :NH3+ 154:sc=-0.00313 (180deg=-0.71) USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0724) USER MOD Single : A 73 GLN : amide:sc= -0.0377 X(o=-0.038,f=-0.037) USER MOD Single : A 75 SER OG : rot 90:sc= -0.416 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0174 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -3.05 K(o=-3,f=-4.3!) USER MOD Single : A 82 MET CE :methyl -133:sc= -2.93 (180deg=-7.91!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0737 X(o=-0.074,f=0) USER MOD Single : A 95 TYR OH : rot -70:sc= -2.65 USER MOD Single : A 98 ASN : amide:sc= -1.96! C(o=-2!,f=-1.7!) 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= -0.0133 X(o=-0.013,f=0) 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 120 THR OG1 : rot 7:sc= -1.12 USER MOD Single : A 122 MET CE :methyl -129:sc= -2.54! (180deg=-7.28!) USER MOD Single : A 123 ASN :FLIP amide:sc= -0.587 F(o=-1.4,f=-0.59) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= -0.261 X(o=-0.26,f=0) USER MOD ----------------------------------------------------------------- ATOM 221 N ASP A 17 -15.174 -2.730 -7.119 1.00 0.00 N ATOM 222 CA ASP A 17 -15.446 -3.414 -5.860 1.00 0.00 C ATOM 223 C ASP A 17 -14.258 -3.297 -4.911 1.00 0.00 C ATOM 224 O ASP A 17 -14.428 -3.085 -3.709 1.00 0.00 O ATOM 225 CB ASP A 17 -15.769 -4.887 -6.114 1.00 0.00 C ATOM 226 CG ASP A 17 -16.405 -5.556 -4.911 1.00 0.00 C ATOM 227 OD1 ASP A 17 -17.315 -4.951 -4.307 1.00 0.00 O ATOM 228 OD2 ASP A 17 -15.992 -6.685 -4.574 1.00 0.00 O ATOM 0 HA ASP A 17 -16.308 -2.937 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -16.442 -4.966 -6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -14.854 -5.416 -6.379 1.00 0.00 H new ATOM 233 N LEU A 18 -13.055 -3.437 -5.456 1.00 0.00 N ATOM 234 CA LEU A 18 -11.838 -3.348 -4.658 1.00 0.00 C ATOM 235 C LEU A 18 -11.555 -1.905 -4.254 1.00 0.00 C ATOM 236 O LEU A 18 -11.040 -1.644 -3.168 1.00 0.00 O ATOM 237 CB LEU A 18 -10.650 -3.913 -5.439 1.00 0.00 C ATOM 238 CG LEU A 18 -10.673 -5.420 -5.700 1.00 0.00 C ATOM 239 CD1 LEU A 18 -9.517 -5.823 -6.602 1.00 0.00 C ATOM 240 CD2 LEU A 18 -10.621 -6.189 -4.388 1.00 0.00 C ATOM 0 H LEU A 18 -12.896 -3.613 -6.448 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.984 -3.937 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.595 -3.399 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.736 -3.673 -4.895 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.606 -5.668 -6.207 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.550 -6.898 -6.777 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.598 -5.298 -7.554 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.573 -5.562 -6.123 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.638 -7.259 -4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.705 -5.936 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.483 -5.923 -3.776 1.00 0.00 H new ATOM 252 N GLU A 19 -11.899 -0.971 -5.136 1.00 0.00 N ATOM 253 CA GLU A 19 -11.683 0.446 -4.869 1.00 0.00 C ATOM 254 C GLU A 19 -12.444 0.887 -3.623 1.00 0.00 C ATOM 255 O GLU A 19 -11.849 1.366 -2.657 1.00 0.00 O ATOM 256 CB GLU A 19 -12.121 1.286 -6.071 1.00 0.00 C ATOM 257 CG GLU A 19 -12.124 2.781 -5.800 1.00 0.00 C ATOM 258 CD GLU A 19 -13.124 3.528 -6.661 1.00 0.00 C ATOM 259 OE1 GLU A 19 -12.787 3.854 -7.818 1.00 0.00 O ATOM 260 OE2 GLU A 19 -14.246 3.787 -6.176 1.00 0.00 O ATOM 0 H GLU A 19 -12.328 -1.170 -6.040 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.618 0.599 -4.696 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.457 1.079 -6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.122 0.978 -6.373 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.354 2.955 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.126 3.181 -5.979 1.00 0.00 H new ATOM 267 N GLN A 20 -13.763 0.723 -3.652 1.00 0.00 N ATOM 268 CA GLN A 20 -14.605 1.106 -2.525 1.00 0.00 C ATOM 269 C GLN A 20 -14.058 0.539 -1.219 1.00 0.00 C ATOM 270 O GLN A 20 -14.029 1.225 -0.197 1.00 0.00 O ATOM 271 CB GLN A 20 -16.039 0.619 -2.745 1.00 0.00 C ATOM 272 CG GLN A 20 -16.151 -0.888 -2.910 1.00 0.00 C ATOM 273 CD GLN A 20 -17.578 -1.344 -3.146 1.00 0.00 C ATOM 274 OE1 GLN A 20 -18.204 -1.942 -2.271 1.00 0.00 O ATOM 275 NE2 GLN A 20 -18.100 -1.063 -4.335 1.00 0.00 N ATOM 0 H GLN A 20 -14.271 0.328 -4.443 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.604 2.194 -2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.653 0.930 -1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.447 1.105 -3.632 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.529 -1.205 -3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.760 -1.378 -2.018 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.545 -0.565 -5.031 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.056 -1.345 -4.552 1.00 0.00 H new ATOM 284 N ILE A 21 -13.625 -0.717 -1.261 1.00 0.00 N ATOM 285 CA ILE A 21 -13.078 -1.375 -0.081 1.00 0.00 C ATOM 286 C ILE A 21 -11.744 -0.757 0.324 1.00 0.00 C ATOM 287 O ILE A 21 -11.500 -0.495 1.503 1.00 0.00 O ATOM 288 CB ILE A 21 -12.882 -2.884 -0.318 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.226 -3.557 -0.599 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.203 -3.525 0.883 1.00 0.00 C ATOM 291 CD1 ILE A 21 -14.101 -5.005 -1.019 1.00 0.00 C ATOM 0 H ILE A 21 -13.642 -1.299 -2.099 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.800 -1.233 0.723 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.240 -3.020 -1.189 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -14.846 -3.499 0.295 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.744 -3.003 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.071 -4.591 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.229 -3.061 1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -12.821 -3.382 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.093 -5.418 -1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.508 -5.069 -1.931 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.612 -5.573 -0.227 1.00 0.00 H new ATOM 303 N LEU A 22 -10.882 -0.526 -0.660 1.00 0.00 N ATOM 304 CA LEU A 22 -9.572 0.063 -0.408 1.00 0.00 C ATOM 305 C LEU A 22 -9.698 1.338 0.419 1.00 0.00 C ATOM 306 O LEU A 22 -9.067 1.475 1.467 1.00 0.00 O ATOM 307 CB LEU A 22 -8.864 0.367 -1.729 1.00 0.00 C ATOM 308 CG LEU A 22 -8.207 -0.824 -2.428 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.742 -0.434 -3.823 1.00 0.00 C ATOM 310 CD2 LEU A 22 -7.042 -1.350 -1.603 1.00 0.00 C ATOM 0 H LEU A 22 -11.067 -0.738 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.980 -0.658 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.588 0.810 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.099 1.121 -1.543 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.947 -1.619 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.277 -1.294 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.598 -0.106 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.018 0.377 -3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.586 -2.197 -2.116 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.301 -0.561 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.403 -1.669 -0.625 1.00 0.00 H new ATOM 322 N ILE A 23 -10.519 2.268 -0.058 1.00 0.00 N ATOM 323 CA ILE A 23 -10.731 3.530 0.640 1.00 0.00 C ATOM 324 C ILE A 23 -11.239 3.296 2.058 1.00 0.00 C ATOM 325 O ILE A 23 -10.803 3.956 3.001 1.00 0.00 O ATOM 326 CB ILE A 23 -11.733 4.427 -0.111 1.00 0.00 C ATOM 327 CG1 ILE A 23 -11.172 4.822 -1.478 1.00 0.00 C ATOM 328 CG2 ILE A 23 -12.057 5.664 0.713 1.00 0.00 C ATOM 329 CD1 ILE A 23 -12.228 5.303 -2.449 1.00 0.00 C ATOM 0 H ILE A 23 -11.048 2.171 -0.925 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.765 4.033 0.682 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.655 3.866 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.429 5.608 -1.343 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.655 3.965 -1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.766 6.288 0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.494 5.363 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.143 6.229 0.896 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.758 5.566 -3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.959 4.511 -2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.729 6.179 -2.037 1.00 0.00 H new ATOM 341 N GLN A 24 -12.162 2.351 2.202 1.00 0.00 N ATOM 342 CA GLN A 24 -12.729 2.029 3.506 1.00 0.00 C ATOM 343 C GLN A 24 -11.648 1.535 4.462 1.00 0.00 C ATOM 344 O GLN A 24 -11.610 1.930 5.628 1.00 0.00 O ATOM 345 CB GLN A 24 -13.823 0.969 3.363 1.00 0.00 C ATOM 346 CG GLN A 24 -15.113 1.503 2.761 1.00 0.00 C ATOM 347 CD GLN A 24 -16.221 0.468 2.744 1.00 0.00 C ATOM 348 OE1 GLN A 24 -16.813 0.159 3.778 1.00 0.00 O ATOM 349 NE2 GLN A 24 -16.507 -0.073 1.566 1.00 0.00 N ATOM 0 H GLN A 24 -12.533 1.795 1.432 1.00 0.00 H new ATOM 0 HA GLN A 24 -13.166 2.938 3.919 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.450 0.156 2.740 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.038 0.546 4.344 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.442 2.373 3.330 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -14.922 1.842 1.743 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.990 0.213 0.734 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -17.243 -0.775 1.492 1.00 0.00 H new ATOM 358 N TRP A 25 -10.773 0.671 3.962 1.00 0.00 N ATOM 359 CA TRP A 25 -9.692 0.123 4.773 1.00 0.00 C ATOM 360 C TRP A 25 -8.620 1.176 5.034 1.00 0.00 C ATOM 361 O TRP A 25 -8.379 1.558 6.180 1.00 0.00 O ATOM 362 CB TRP A 25 -9.072 -1.092 4.080 1.00 0.00 C ATOM 363 CG TRP A 25 -7.831 -1.592 4.756 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.692 -1.923 6.073 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.555 -1.816 4.147 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.406 -2.339 6.320 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.689 -2.284 5.154 1.00 0.00 C ATOM 368 CE3 TRP A 25 -6.060 -1.669 2.848 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.357 -2.603 4.902 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.738 -1.987 2.599 1.00 0.00 C ATOM 371 CH2 TRP A 25 -3.899 -2.450 3.621 1.00 0.00 C ATOM 0 H TRP A 25 -10.790 0.335 2.999 1.00 0.00 H new ATOM 0 HA TRP A 25 -10.111 -0.188 5.730 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.807 -1.896 4.045 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -8.835 -0.831 3.048 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.477 -1.866 6.812 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -6.044 -2.640 7.225 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.699 -1.313 2.053 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.708 -2.958 5.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.345 -1.877 1.599 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.871 -2.691 3.394 1.00 0.00 H new ATOM 382 N ILE A 26 -7.981 1.641 3.967 1.00 0.00 N ATOM 383 CA ILE A 26 -6.936 2.651 4.082 1.00 0.00 C ATOM 384 C ILE A 26 -7.326 3.732 5.084 1.00 0.00 C ATOM 385 O ILE A 26 -6.563 4.055 5.995 1.00 0.00 O ATOM 386 CB ILE A 26 -6.637 3.309 2.722 1.00 0.00 C ATOM 387 CG1 ILE A 26 -6.140 2.263 1.723 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.612 4.421 2.887 1.00 0.00 C ATOM 389 CD1 ILE A 26 -6.169 2.737 0.287 1.00 0.00 C ATOM 0 H ILE A 26 -8.168 1.335 3.012 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.039 2.140 4.433 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.558 3.744 2.335 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.120 1.980 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.753 1.366 1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.411 4.877 1.918 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.001 5.176 3.569 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.689 4.007 3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.803 1.944 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.191 2.993 0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.533 3.616 0.181 1.00 0.00 H new ATOM 401 N THR A 27 -8.520 4.290 4.910 1.00 0.00 N ATOM 402 CA THR A 27 -9.012 5.335 5.798 1.00 0.00 C ATOM 403 C THR A 27 -9.164 4.818 7.224 1.00 0.00 C ATOM 404 O THR A 27 -8.979 5.561 8.188 1.00 0.00 O ATOM 405 CB THR A 27 -10.367 5.889 5.317 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.359 4.857 5.356 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.256 6.440 3.904 1.00 0.00 C ATOM 0 H THR A 27 -9.164 4.035 4.161 1.00 0.00 H new ATOM 0 HA THR A 27 -8.274 6.137 5.782 1.00 0.00 H new ATOM 0 HB THR A 27 -10.660 6.700 5.983 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.494 4.499 4.454 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.225 6.825 3.587 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.521 7.245 3.884 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.942 5.645 3.227 1.00 0.00 H new ATOM 415 N THR A 28 -9.503 3.539 7.352 1.00 0.00 N ATOM 416 CA THR A 28 -9.681 2.922 8.660 1.00 0.00 C ATOM 417 C THR A 28 -8.342 2.728 9.363 1.00 0.00 C ATOM 418 O THR A 28 -8.113 3.270 10.443 1.00 0.00 O ATOM 419 CB THR A 28 -10.392 1.561 8.548 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.772 1.754 8.222 1.00 0.00 O ATOM 421 CG2 THR A 28 -10.277 0.782 9.850 1.00 0.00 C ATOM 0 H THR A 28 -9.660 2.910 6.565 1.00 0.00 H new ATOM 0 HA THR A 28 -10.302 3.599 9.247 1.00 0.00 H new ATOM 0 HB THR A 28 -9.909 0.988 7.756 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.927 1.495 7.290 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.787 -0.176 9.747 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.225 0.611 10.080 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.736 1.353 10.657 1.00 0.00 H new ATOM 429 N GLN A 29 -7.460 1.951 8.741 1.00 0.00 N ATOM 430 CA GLN A 29 -6.144 1.685 9.308 1.00 0.00 C ATOM 431 C GLN A 29 -5.482 2.977 9.776 1.00 0.00 C ATOM 432 O GLN A 29 -4.991 3.061 10.903 1.00 0.00 O ATOM 433 CB GLN A 29 -5.254 0.986 8.279 1.00 0.00 C ATOM 434 CG GLN A 29 -3.852 0.691 8.788 1.00 0.00 C ATOM 435 CD GLN A 29 -3.849 0.106 10.186 1.00 0.00 C ATOM 436 OE1 GLN A 29 -4.112 0.806 11.165 1.00 0.00 O ATOM 437 NE2 GLN A 29 -3.551 -1.184 10.289 1.00 0.00 N ATOM 0 H GLN A 29 -7.634 1.495 7.845 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.273 1.031 10.170 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.726 0.051 7.978 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.184 1.610 7.388 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.361 -0.004 8.107 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.267 1.610 8.782 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -3.339 -1.727 9.452 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.534 -1.632 11.205 1.00 0.00 H new ATOM 446 N CYS A 30 -5.471 3.979 8.905 1.00 0.00 N ATOM 447 CA CYS A 30 -4.868 5.267 9.229 1.00 0.00 C ATOM 448 C CYS A 30 -5.595 5.930 10.395 1.00 0.00 C ATOM 449 O CYS A 30 -6.821 6.047 10.389 1.00 0.00 O ATOM 450 CB CYS A 30 -4.893 6.187 8.007 1.00 0.00 C ATOM 451 SG CYS A 30 -6.444 7.092 7.796 1.00 0.00 S ATOM 0 H CYS A 30 -5.873 3.925 7.969 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.833 5.092 9.522 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -4.075 6.903 8.088 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.708 5.591 7.113 1.00 0.00 H new ATOM 0 HG CYS A 30 -7.416 6.418 8.335 1.00 0.00 H new ATOM 457 N ARG A 31 -4.831 6.361 11.393 1.00 0.00 N ATOM 458 CA ARG A 31 -5.403 7.010 12.567 1.00 0.00 C ATOM 459 C ARG A 31 -5.795 8.451 12.256 1.00 0.00 C ATOM 460 O ARG A 31 -6.972 8.808 12.293 1.00 0.00 O ATOM 461 CB ARG A 31 -4.407 6.980 13.728 1.00 0.00 C ATOM 462 CG ARG A 31 -5.052 7.183 15.089 1.00 0.00 C ATOM 463 CD ARG A 31 -5.663 5.893 15.614 1.00 0.00 C ATOM 464 NE ARG A 31 -6.736 6.146 16.573 1.00 0.00 N ATOM 465 CZ ARG A 31 -6.527 6.566 17.816 1.00 0.00 C ATOM 466 NH1 ARG A 31 -5.291 6.779 18.248 1.00 0.00 N ATOM 467 NH2 ARG A 31 -7.555 6.774 18.629 1.00 0.00 N ATOM 0 H ARG A 31 -3.815 6.273 11.412 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.301 6.462 12.853 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.884 6.024 13.722 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.656 7.755 13.572 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.306 7.548 15.795 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.824 7.949 15.016 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.053 5.311 14.779 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.888 5.291 16.088 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.698 5.992 16.272 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.499 6.620 17.625 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.133 7.101 19.203 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.507 6.611 18.300 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.394 7.096 19.583 1.00 0.00 H new ATOM 481 N LYS A 32 -4.799 9.276 11.948 1.00 0.00 N ATOM 482 CA LYS A 32 -5.038 10.678 11.629 1.00 0.00 C ATOM 483 C LYS A 32 -6.137 10.818 10.580 1.00 0.00 C ATOM 484 O LYS A 32 -6.648 9.823 10.066 1.00 0.00 O ATOM 485 CB LYS A 32 -3.751 11.335 11.125 1.00 0.00 C ATOM 486 CG LYS A 32 -3.332 10.869 9.741 1.00 0.00 C ATOM 487 CD LYS A 32 -2.544 11.941 9.007 1.00 0.00 C ATOM 488 CE LYS A 32 -3.450 13.062 8.519 1.00 0.00 C ATOM 489 NZ LYS A 32 -3.652 14.106 9.561 1.00 0.00 N ATOM 0 H LYS A 32 -3.819 8.997 11.913 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.363 11.181 12.540 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.887 12.416 11.109 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.946 11.125 11.829 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.727 9.966 9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.217 10.605 9.161 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.781 12.350 9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.025 11.496 8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.017 13.517 7.628 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.415 12.648 8.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.570 15.048 9.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.597 13.999 9.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.930 14.001 10.302 1.00 0.00 H new ATOM 503 N ASP A 33 -6.493 12.059 10.265 1.00 0.00 N ATOM 504 CA ASP A 33 -7.529 12.328 9.275 1.00 0.00 C ATOM 505 C ASP A 33 -6.912 12.687 7.927 1.00 0.00 C ATOM 506 O ASP A 33 -6.965 13.839 7.495 1.00 0.00 O ATOM 507 CB ASP A 33 -8.438 13.463 9.752 1.00 0.00 C ATOM 508 CG ASP A 33 -8.798 13.337 11.219 1.00 0.00 C ATOM 509 OD1 ASP A 33 -9.749 12.592 11.534 1.00 0.00 O ATOM 510 OD2 ASP A 33 -8.130 13.985 12.052 1.00 0.00 O ATOM 0 H ASP A 33 -6.080 12.894 10.681 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.124 11.423 9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.941 14.418 9.583 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.351 13.469 9.156 1.00 0.00 H new ATOM 515 N VAL A 34 -6.326 11.693 7.266 1.00 0.00 N ATOM 516 CA VAL A 34 -5.699 11.904 5.967 1.00 0.00 C ATOM 517 C VAL A 34 -6.579 12.760 5.064 1.00 0.00 C ATOM 518 O VAL A 34 -6.094 13.659 4.378 1.00 0.00 O ATOM 519 CB VAL A 34 -5.407 10.566 5.262 1.00 0.00 C ATOM 520 CG1 VAL A 34 -4.205 9.880 5.894 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.630 9.663 5.305 1.00 0.00 C ATOM 0 H VAL A 34 -6.273 10.734 7.609 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.758 12.423 6.150 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.171 10.770 4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.014 8.936 5.383 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.330 10.524 5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.408 9.687 6.947 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.406 8.722 4.802 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.900 9.465 6.342 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.463 10.154 4.801 1.00 0.00 H new ATOM 531 N GLY A 35 -7.878 12.476 5.070 1.00 0.00 N ATOM 532 CA GLY A 35 -8.806 13.229 4.248 1.00 0.00 C ATOM 533 C GLY A 35 -9.683 12.334 3.394 1.00 0.00 C ATOM 534 O GLY A 35 -9.650 12.411 2.166 1.00 0.00 O ATOM 0 H GLY A 35 -8.304 11.737 5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.436 13.845 4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.247 13.907 3.603 1.00 0.00 H new ATOM 538 N ARG A 36 -10.468 11.483 4.046 1.00 0.00 N ATOM 539 CA ARG A 36 -11.356 10.567 3.339 1.00 0.00 C ATOM 540 C ARG A 36 -11.965 11.240 2.112 1.00 0.00 C ATOM 541 O ARG A 36 -12.928 12.001 2.204 1.00 0.00 O ATOM 542 CB ARG A 36 -12.467 10.079 4.270 1.00 0.00 C ATOM 543 CG ARG A 36 -13.245 8.894 3.721 1.00 0.00 C ATOM 544 CD ARG A 36 -14.280 8.398 4.717 1.00 0.00 C ATOM 545 NE ARG A 36 -15.214 9.451 5.107 1.00 0.00 N ATOM 546 CZ ARG A 36 -16.035 9.357 6.147 1.00 0.00 C ATOM 547 NH1 ARG A 36 -16.038 8.264 6.897 1.00 0.00 N ATOM 548 NH2 ARG A 36 -16.855 10.359 6.439 1.00 0.00 N ATOM 0 H ARG A 36 -10.508 11.408 5.063 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.767 9.712 3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.030 9.803 5.230 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.158 10.900 4.459 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.740 9.181 2.793 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.555 8.086 3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.833 7.566 4.281 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.775 8.015 5.604 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.237 10.305 4.550 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.409 7.492 6.676 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.670 8.195 7.695 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.855 11.202 5.865 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.485 10.286 7.238 1.00 0.00 H new ATOM 562 N PRO A 37 -11.390 10.954 0.934 1.00 0.00 N ATOM 563 CA PRO A 37 -11.860 11.520 -0.334 1.00 0.00 C ATOM 564 C PRO A 37 -13.218 10.964 -0.750 1.00 0.00 C ATOM 565 O PRO A 37 -13.848 10.218 -0.001 1.00 0.00 O ATOM 566 CB PRO A 37 -10.780 11.097 -1.333 1.00 0.00 C ATOM 567 CG PRO A 37 -10.177 9.870 -0.742 1.00 0.00 C ATOM 568 CD PRO A 37 -10.239 10.055 0.749 1.00 0.00 C ATOM 0 HA PRO A 37 -12.003 12.599 -0.271 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.207 10.895 -2.315 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.034 11.881 -1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.726 8.979 -1.048 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.148 9.741 -1.077 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.383 9.106 1.266 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.320 10.494 1.138 1.00 0.00 H new ATOM 576 N GLN A 38 -13.661 11.332 -1.948 1.00 0.00 N ATOM 577 CA GLN A 38 -14.945 10.869 -2.462 1.00 0.00 C ATOM 578 C GLN A 38 -14.840 9.438 -2.978 1.00 0.00 C ATOM 579 O GLN A 38 -13.771 8.970 -3.369 1.00 0.00 O ATOM 580 CB GLN A 38 -15.433 11.792 -3.579 1.00 0.00 C ATOM 581 CG GLN A 38 -14.377 12.082 -4.634 1.00 0.00 C ATOM 582 CD GLN A 38 -14.978 12.502 -5.961 1.00 0.00 C ATOM 583 OE1 GLN A 38 -16.109 12.139 -6.286 1.00 0.00 O ATOM 584 NE2 GLN A 38 -14.222 13.270 -6.737 1.00 0.00 N ATOM 0 H GLN A 38 -13.151 11.949 -2.580 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.665 10.889 -1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.300 11.340 -4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -15.766 12.733 -3.142 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -13.715 12.870 -4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.763 11.193 -4.782 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.290 13.547 -6.428 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.573 13.583 -7.642 1.00 0.00 H new ATOM 593 N PRO A 39 -15.976 8.725 -2.979 1.00 0.00 N ATOM 594 CA PRO A 39 -16.038 7.336 -3.445 1.00 0.00 C ATOM 595 C PRO A 39 -15.849 7.221 -4.953 1.00 0.00 C ATOM 596 O PRO A 39 -15.909 6.128 -5.515 1.00 0.00 O ATOM 597 CB PRO A 39 -17.448 6.891 -3.047 1.00 0.00 C ATOM 598 CG PRO A 39 -18.240 8.152 -2.989 1.00 0.00 C ATOM 599 CD PRO A 39 -17.287 9.219 -2.527 1.00 0.00 C ATOM 0 HA PRO A 39 -15.245 6.726 -3.013 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.864 6.195 -3.776 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.445 6.380 -2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.656 8.397 -3.966 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -19.080 8.054 -2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.525 10.188 -2.967 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.318 9.344 -1.445 1.00 0.00 H new ATOM 607 N GLY A 40 -15.620 8.358 -5.605 1.00 0.00 N ATOM 608 CA GLY A 40 -15.425 8.362 -7.043 1.00 0.00 C ATOM 609 C GLY A 40 -14.234 7.528 -7.469 1.00 0.00 C ATOM 610 O GLY A 40 -13.786 6.650 -6.731 1.00 0.00 O ATOM 0 H GLY A 40 -15.566 9.276 -5.163 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.323 7.982 -7.529 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.287 9.388 -7.385 1.00 0.00 H new ATOM 614 N ARG A 41 -13.720 7.800 -8.664 1.00 0.00 N ATOM 615 CA ARG A 41 -12.575 7.065 -9.189 1.00 0.00 C ATOM 616 C ARG A 41 -11.497 8.023 -9.686 1.00 0.00 C ATOM 617 O ARG A 41 -10.437 7.595 -10.142 1.00 0.00 O ATOM 618 CB ARG A 41 -13.014 6.139 -10.324 1.00 0.00 C ATOM 619 CG ARG A 41 -13.862 6.829 -11.380 1.00 0.00 C ATOM 620 CD ARG A 41 -13.967 5.992 -12.645 1.00 0.00 C ATOM 621 NE ARG A 41 -14.748 6.662 -13.682 1.00 0.00 N ATOM 622 CZ ARG A 41 -14.767 6.275 -14.952 1.00 0.00 C ATOM 623 NH1 ARG A 41 -14.052 5.228 -15.341 1.00 0.00 N ATOM 624 NH2 ARG A 41 -15.503 6.936 -15.837 1.00 0.00 N ATOM 0 H ARG A 41 -14.078 8.524 -9.287 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.158 6.464 -8.381 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.129 5.717 -10.800 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.578 5.306 -9.904 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.860 7.016 -10.982 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.428 7.800 -11.620 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.967 5.781 -13.024 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.427 5.033 -12.408 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.309 7.471 -13.416 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.485 4.717 -14.664 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.069 4.933 -16.317 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.054 7.742 -15.542 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.517 6.638 -16.812 1.00 0.00 H new ATOM 638 N GLU A 42 -11.776 9.320 -9.596 1.00 0.00 N ATOM 639 CA GLU A 42 -10.829 10.337 -10.039 1.00 0.00 C ATOM 640 C GLU A 42 -10.090 10.946 -8.851 1.00 0.00 C ATOM 641 O GLU A 42 -9.013 11.520 -9.005 1.00 0.00 O ATOM 642 CB GLU A 42 -11.555 11.435 -10.819 1.00 0.00 C ATOM 643 CG GLU A 42 -12.255 10.931 -12.070 1.00 0.00 C ATOM 644 CD GLU A 42 -13.149 11.981 -12.701 1.00 0.00 C ATOM 645 OE1 GLU A 42 -12.998 13.172 -12.361 1.00 0.00 O ATOM 646 OE2 GLU A 42 -14.001 11.610 -13.536 1.00 0.00 O ATOM 0 H GLU A 42 -12.649 9.691 -9.221 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.099 9.858 -10.692 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.290 11.907 -10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.837 12.205 -11.100 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.508 10.611 -12.796 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.852 10.054 -11.820 1.00 0.00 H new ATOM 653 N ASN A 43 -10.678 10.817 -7.666 1.00 0.00 N ATOM 654 CA ASN A 43 -10.077 11.355 -6.451 1.00 0.00 C ATOM 655 C ASN A 43 -9.037 10.392 -5.886 1.00 0.00 C ATOM 656 O ASN A 43 -7.921 10.791 -5.553 1.00 0.00 O ATOM 657 CB ASN A 43 -11.156 11.631 -5.402 1.00 0.00 C ATOM 658 CG ASN A 43 -10.748 12.718 -4.426 1.00 0.00 C ATOM 659 OD1 ASN A 43 -9.910 12.499 -3.551 1.00 0.00 O ATOM 660 ND2 ASN A 43 -11.341 13.897 -4.573 1.00 0.00 N ATOM 0 H ASN A 43 -11.570 10.344 -7.521 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.579 12.291 -6.705 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.079 11.923 -5.902 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -11.368 10.714 -4.853 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.108 14.667 -3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.030 14.033 -5.313 1.00 0.00 H new ATOM 667 N PHE A 44 -9.411 9.121 -5.781 1.00 0.00 N ATOM 668 CA PHE A 44 -8.511 8.100 -5.257 1.00 0.00 C ATOM 669 C PHE A 44 -7.089 8.316 -5.764 1.00 0.00 C ATOM 670 O PHE A 44 -6.138 8.344 -4.983 1.00 0.00 O ATOM 671 CB PHE A 44 -9.001 6.706 -5.653 1.00 0.00 C ATOM 672 CG PHE A 44 -8.331 5.597 -4.894 1.00 0.00 C ATOM 673 CD1 PHE A 44 -8.760 5.253 -3.622 1.00 0.00 C ATOM 674 CD2 PHE A 44 -7.272 4.898 -5.452 1.00 0.00 C ATOM 675 CE1 PHE A 44 -8.146 4.232 -2.920 1.00 0.00 C ATOM 676 CE2 PHE A 44 -6.655 3.877 -4.755 1.00 0.00 C ATOM 677 CZ PHE A 44 -7.091 3.544 -3.487 1.00 0.00 C ATOM 0 H PHE A 44 -10.331 8.774 -6.052 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.505 8.180 -4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -10.077 6.648 -5.490 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.831 6.559 -6.720 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.584 5.789 -3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.925 5.154 -6.442 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.491 3.973 -1.930 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.832 3.339 -5.201 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.608 2.748 -2.940 1.00 0.00 H new ATOM 687 N GLN A 45 -6.952 8.466 -7.078 1.00 0.00 N ATOM 688 CA GLN A 45 -5.646 8.677 -7.691 1.00 0.00 C ATOM 689 C GLN A 45 -4.930 9.862 -7.051 1.00 0.00 C ATOM 690 O GLN A 45 -3.750 9.778 -6.714 1.00 0.00 O ATOM 691 CB GLN A 45 -5.796 8.909 -9.195 1.00 0.00 C ATOM 692 CG GLN A 45 -4.493 8.770 -9.965 1.00 0.00 C ATOM 693 CD GLN A 45 -3.735 10.079 -10.070 1.00 0.00 C ATOM 694 OE1 GLN A 45 -3.318 10.650 -9.063 1.00 0.00 O ATOM 695 NE2 GLN A 45 -3.553 10.561 -11.294 1.00 0.00 N ATOM 0 H GLN A 45 -7.729 8.445 -7.738 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.047 7.781 -7.527 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.521 8.199 -9.593 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.202 9.907 -9.362 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.863 8.028 -9.475 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.705 8.396 -10.967 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.916 10.054 -12.101 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.050 11.438 -11.427 1.00 0.00 H new ATOM 704 N ASN A 46 -5.653 10.965 -6.886 1.00 0.00 N ATOM 705 CA ASN A 46 -5.086 12.168 -6.287 1.00 0.00 C ATOM 706 C ASN A 46 -4.863 11.977 -4.790 1.00 0.00 C ATOM 707 O ASN A 46 -4.040 12.662 -4.182 1.00 0.00 O ATOM 708 CB ASN A 46 -6.006 13.366 -6.528 1.00 0.00 C ATOM 709 CG ASN A 46 -5.889 13.910 -7.939 1.00 0.00 C ATOM 710 OD1 ASN A 46 -5.281 14.957 -8.163 1.00 0.00 O ATOM 711 ND2 ASN A 46 -6.471 13.200 -8.898 1.00 0.00 N ATOM 0 H ASN A 46 -6.632 11.051 -7.159 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.122 12.358 -6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.038 13.072 -6.339 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.764 14.155 -5.816 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.425 13.517 -9.867 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.964 12.338 -8.666 1.00 0.00 H new ATOM 718 N TRP A 47 -5.601 11.042 -4.202 1.00 0.00 N ATOM 719 CA TRP A 47 -5.484 10.760 -2.776 1.00 0.00 C ATOM 720 C TRP A 47 -4.133 10.130 -2.455 1.00 0.00 C ATOM 721 O TRP A 47 -3.486 10.492 -1.471 1.00 0.00 O ATOM 722 CB TRP A 47 -6.613 9.834 -2.324 1.00 0.00 C ATOM 723 CG TRP A 47 -6.758 9.757 -0.834 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.698 10.796 0.050 1.00 0.00 C ATOM 725 CD2 TRP A 47 -6.985 8.577 -0.055 1.00 0.00 C ATOM 726 NE1 TRP A 47 -6.874 10.334 1.332 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.053 8.976 1.295 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.141 7.224 -0.365 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.268 8.069 2.329 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -7.353 6.325 0.662 1.00 0.00 C ATOM 731 CH2 TRP A 47 -7.416 6.750 1.996 1.00 0.00 C ATOM 0 H TRP A 47 -6.287 10.466 -4.691 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.561 11.704 -2.237 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.552 10.180 -2.756 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.432 8.833 -2.716 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.536 11.829 -0.219 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.872 10.909 2.175 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.097 6.887 -1.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.316 8.395 3.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -7.472 5.276 0.433 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -7.585 6.023 2.776 1.00 0.00 H new ATOM 742 N LEU A 48 -3.712 9.186 -3.289 1.00 0.00 N ATOM 743 CA LEU A 48 -2.437 8.505 -3.094 1.00 0.00 C ATOM 744 C LEU A 48 -1.312 9.236 -3.819 1.00 0.00 C ATOM 745 O LEU A 48 -0.176 9.276 -3.347 1.00 0.00 O ATOM 746 CB LEU A 48 -2.526 7.061 -3.591 1.00 0.00 C ATOM 747 CG LEU A 48 -3.797 6.299 -3.215 1.00 0.00 C ATOM 748 CD1 LEU A 48 -3.680 4.836 -3.615 1.00 0.00 C ATOM 749 CD2 LEU A 48 -4.074 6.425 -1.724 1.00 0.00 C ATOM 0 H LEU A 48 -4.235 8.874 -4.107 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.215 8.502 -2.027 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.437 7.066 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.668 6.511 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.634 6.738 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.594 4.309 -3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.530 4.764 -4.692 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.832 4.385 -3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.982 5.876 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.236 6.013 -1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.203 7.476 -1.465 1.00 0.00 H new ATOM 761 N LYS A 49 -1.637 9.817 -4.969 1.00 0.00 N ATOM 762 CA LYS A 49 -0.656 10.551 -5.760 1.00 0.00 C ATOM 763 C LYS A 49 0.255 11.382 -4.861 1.00 0.00 C ATOM 764 O LYS A 49 1.465 11.447 -5.079 1.00 0.00 O ATOM 765 CB LYS A 49 -1.361 11.460 -6.769 1.00 0.00 C ATOM 766 CG LYS A 49 -0.487 12.590 -7.285 1.00 0.00 C ATOM 767 CD LYS A 49 -0.601 13.828 -6.410 1.00 0.00 C ATOM 768 CE LYS A 49 -0.028 15.054 -7.102 1.00 0.00 C ATOM 769 NZ LYS A 49 -0.948 15.582 -8.148 1.00 0.00 N ATOM 0 H LYS A 49 -2.573 9.794 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.044 9.827 -6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.698 10.859 -7.613 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.251 11.884 -6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.552 12.261 -7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.776 12.837 -8.306 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.648 14.005 -6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.075 13.660 -5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.165 15.831 -6.363 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.930 14.800 -7.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.569 16.474 -8.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.032 14.888 -8.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.886 15.753 -7.732 1.00 0.00 H new ATOM 783 N ASP A 50 -0.334 12.014 -3.852 1.00 0.00 N ATOM 784 CA ASP A 50 0.426 12.838 -2.919 1.00 0.00 C ATOM 785 C ASP A 50 1.508 12.017 -2.225 1.00 0.00 C ATOM 786 O ASP A 50 2.645 12.465 -2.080 1.00 0.00 O ATOM 787 CB ASP A 50 -0.507 13.459 -1.877 1.00 0.00 C ATOM 788 CG ASP A 50 -1.862 13.819 -2.455 1.00 0.00 C ATOM 789 OD1 ASP A 50 -1.919 14.188 -3.647 1.00 0.00 O ATOM 790 OD2 ASP A 50 -2.865 13.734 -1.716 1.00 0.00 O ATOM 0 H ASP A 50 -1.335 11.972 -3.659 1.00 0.00 H new ATOM 0 HA ASP A 50 0.907 13.635 -3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.641 12.760 -1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.042 14.354 -1.464 1.00 0.00 H new ATOM 795 N GLY A 51 1.146 10.811 -1.796 1.00 0.00 N ATOM 796 CA GLY A 51 2.097 9.948 -1.121 1.00 0.00 C ATOM 797 C GLY A 51 1.855 9.874 0.373 1.00 0.00 C ATOM 798 O GLY A 51 1.749 8.786 0.940 1.00 0.00 O ATOM 0 H GLY A 51 0.211 10.417 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.038 8.946 -1.545 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.108 10.313 -1.304 1.00 0.00 H new ATOM 802 N THR A 52 1.767 11.035 1.015 1.00 0.00 N ATOM 803 CA THR A 52 1.539 11.098 2.453 1.00 0.00 C ATOM 804 C THR A 52 0.609 9.981 2.911 1.00 0.00 C ATOM 805 O THR A 52 0.922 9.242 3.845 1.00 0.00 O ATOM 806 CB THR A 52 0.937 12.454 2.867 1.00 0.00 C ATOM 807 OG1 THR A 52 -0.208 12.749 2.060 1.00 0.00 O ATOM 808 CG2 THR A 52 1.964 13.568 2.726 1.00 0.00 C ATOM 0 H THR A 52 1.850 11.945 0.561 1.00 0.00 H new ATOM 0 HA THR A 52 2.510 10.978 2.933 1.00 0.00 H new ATOM 0 HB THR A 52 0.636 12.389 3.913 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.586 13.612 2.331 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.516 14.516 3.024 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.821 13.355 3.365 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.291 13.632 1.688 1.00 0.00 H new ATOM 816 N VAL A 53 -0.537 9.862 2.248 1.00 0.00 N ATOM 817 CA VAL A 53 -1.513 8.832 2.587 1.00 0.00 C ATOM 818 C VAL A 53 -0.870 7.450 2.603 1.00 0.00 C ATOM 819 O VAL A 53 -0.952 6.727 3.597 1.00 0.00 O ATOM 820 CB VAL A 53 -2.691 8.827 1.594 1.00 0.00 C ATOM 821 CG1 VAL A 53 -3.598 7.633 1.848 1.00 0.00 C ATOM 822 CG2 VAL A 53 -3.471 10.130 1.688 1.00 0.00 C ATOM 0 H VAL A 53 -0.813 10.466 1.473 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.888 9.066 3.583 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.292 8.741 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.424 7.646 1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.029 6.711 1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.992 7.685 2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.300 10.110 0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.860 10.249 2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.813 10.966 1.452 1.00 0.00 H new ATOM 832 N LEU A 54 -0.231 7.088 1.497 1.00 0.00 N ATOM 833 CA LEU A 54 0.428 5.791 1.383 1.00 0.00 C ATOM 834 C LEU A 54 1.387 5.564 2.546 1.00 0.00 C ATOM 835 O LEU A 54 1.591 4.430 2.984 1.00 0.00 O ATOM 836 CB LEU A 54 1.184 5.696 0.057 1.00 0.00 C ATOM 837 CG LEU A 54 0.324 5.544 -1.198 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.112 5.937 -2.437 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.192 4.118 -1.322 1.00 0.00 C ATOM 0 H LEU A 54 -0.155 7.674 0.666 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.339 5.017 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.797 6.591 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.866 4.847 0.111 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.532 6.213 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.483 5.822 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.431 6.976 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.988 5.295 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.802 4.029 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.651 3.430 -1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.795 3.872 -0.448 1.00 0.00 H new ATOM 851 N CYS A 55 1.972 6.647 3.045 1.00 0.00 N ATOM 852 CA CYS A 55 2.909 6.566 4.159 1.00 0.00 C ATOM 853 C CYS A 55 2.195 6.151 5.441 1.00 0.00 C ATOM 854 O CYS A 55 2.671 5.288 6.177 1.00 0.00 O ATOM 855 CB CYS A 55 3.609 7.911 4.363 1.00 0.00 C ATOM 856 SG CYS A 55 4.438 8.543 2.886 1.00 0.00 S ATOM 0 H CYS A 55 1.814 7.592 2.695 1.00 0.00 H new ATOM 0 HA CYS A 55 3.656 5.809 3.919 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.874 8.644 4.696 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.343 7.809 5.163 1.00 0.00 H new ATOM 0 HG CYS A 55 3.593 8.585 1.899 1.00 0.00 H new ATOM 862 N GLU A 56 1.050 6.774 5.703 1.00 0.00 N ATOM 863 CA GLU A 56 0.271 6.471 6.898 1.00 0.00 C ATOM 864 C GLU A 56 -0.149 5.004 6.916 1.00 0.00 C ATOM 865 O GLU A 56 -0.293 4.400 7.980 1.00 0.00 O ATOM 866 CB GLU A 56 -0.966 7.368 6.970 1.00 0.00 C ATOM 867 CG GLU A 56 -0.651 8.812 7.323 1.00 0.00 C ATOM 868 CD GLU A 56 0.004 8.950 8.683 1.00 0.00 C ATOM 869 OE1 GLU A 56 -0.354 8.175 9.595 1.00 0.00 O ATOM 870 OE2 GLU A 56 0.874 9.833 8.837 1.00 0.00 O ATOM 0 H GLU A 56 0.642 7.491 5.104 1.00 0.00 H new ATOM 0 HA GLU A 56 0.900 6.662 7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.480 7.342 6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.655 6.964 7.711 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.007 9.233 6.563 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.572 9.395 7.306 1.00 0.00 H new ATOM 877 N LEU A 57 -0.345 4.437 5.730 1.00 0.00 N ATOM 878 CA LEU A 57 -0.750 3.041 5.608 1.00 0.00 C ATOM 879 C LEU A 57 0.344 2.110 6.122 1.00 0.00 C ATOM 880 O LEU A 57 0.165 1.423 7.128 1.00 0.00 O ATOM 881 CB LEU A 57 -1.074 2.709 4.150 1.00 0.00 C ATOM 882 CG LEU A 57 -1.553 1.283 3.877 1.00 0.00 C ATOM 883 CD1 LEU A 57 -2.585 0.859 4.910 1.00 0.00 C ATOM 884 CD2 LEU A 57 -2.125 1.173 2.471 1.00 0.00 C ATOM 0 H LEU A 57 -0.230 4.922 4.840 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.643 2.893 6.215 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.841 3.401 3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.183 2.893 3.550 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.698 0.612 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.914 -0.159 4.699 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.141 0.898 5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.441 1.533 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.461 0.151 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.968 1.856 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.356 1.433 1.744 1.00 0.00 H new ATOM 896 N ILE A 58 1.476 2.094 5.426 1.00 0.00 N ATOM 897 CA ILE A 58 2.599 1.250 5.815 1.00 0.00 C ATOM 898 C ILE A 58 3.072 1.581 7.226 1.00 0.00 C ATOM 899 O ILE A 58 3.576 0.716 7.941 1.00 0.00 O ATOM 900 CB ILE A 58 3.781 1.403 4.840 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.856 0.356 5.139 1.00 0.00 C ATOM 902 CG2 ILE A 58 4.362 2.806 4.928 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.557 -1.003 4.545 1.00 0.00 C ATOM 0 H ILE A 58 1.640 2.656 4.590 1.00 0.00 H new ATOM 0 HA ILE A 58 2.245 0.219 5.786 1.00 0.00 H new ATOM 0 HB ILE A 58 3.418 1.244 3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.813 0.709 4.754 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.964 0.256 6.219 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.197 2.898 4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.593 3.535 4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.713 2.991 5.943 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.361 -1.695 4.797 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.616 -1.377 4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.478 -0.917 3.461 1.00 0.00 H new ATOM 915 N ASN A 59 2.905 2.838 7.621 1.00 0.00 N ATOM 916 CA ASN A 59 3.314 3.283 8.948 1.00 0.00 C ATOM 917 C ASN A 59 2.383 2.725 10.021 1.00 0.00 C ATOM 918 O ASN A 59 2.820 2.379 11.118 1.00 0.00 O ATOM 919 CB ASN A 59 3.327 4.812 9.015 1.00 0.00 C ATOM 920 CG ASN A 59 4.628 5.401 8.505 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.713 4.992 8.920 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.525 6.369 7.601 1.00 0.00 N ATOM 0 H ASN A 59 2.489 3.567 7.041 1.00 0.00 H new ATOM 0 HA ASN A 59 4.321 2.908 9.134 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.498 5.206 8.427 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.167 5.129 10.045 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.366 6.805 7.222 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.605 6.677 7.286 1.00 0.00 H new ATOM 929 N ALA A 60 1.098 2.639 9.694 1.00 0.00 N ATOM 930 CA ALA A 60 0.105 2.120 10.627 1.00 0.00 C ATOM 931 C ALA A 60 0.424 0.683 11.025 1.00 0.00 C ATOM 932 O ALA A 60 0.451 0.347 12.209 1.00 0.00 O ATOM 933 CB ALA A 60 -1.287 2.205 10.019 1.00 0.00 C ATOM 0 H ALA A 60 0.720 2.922 8.790 1.00 0.00 H new ATOM 0 HA ALA A 60 0.134 2.734 11.527 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.018 1.814 10.727 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.522 3.245 9.792 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.320 1.617 9.102 1.00 0.00 H new ATOM 939 N LEU A 61 0.665 -0.162 10.028 1.00 0.00 N ATOM 940 CA LEU A 61 0.982 -1.564 10.274 1.00 0.00 C ATOM 941 C LEU A 61 2.150 -1.697 11.246 1.00 0.00 C ATOM 942 O LEU A 61 2.008 -2.268 12.327 1.00 0.00 O ATOM 943 CB LEU A 61 1.316 -2.270 8.958 1.00 0.00 C ATOM 944 CG LEU A 61 0.306 -2.090 7.824 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.982 -2.266 6.474 1.00 0.00 C ATOM 946 CD2 LEU A 61 -0.848 -3.070 7.977 1.00 0.00 C ATOM 0 H LEU A 61 0.647 0.100 9.042 1.00 0.00 H new ATOM 0 HA LEU A 61 0.107 -2.035 10.721 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.286 -1.913 8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.422 -3.336 9.158 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.094 -1.078 7.877 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.248 -2.134 5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.773 -1.524 6.364 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.411 -3.266 6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.557 -2.928 7.161 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.465 -4.090 7.951 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.350 -2.895 8.929 1.00 0.00 H new ATOM 958 N TYR A 62 3.302 -1.164 10.854 1.00 0.00 N ATOM 959 CA TYR A 62 4.494 -1.223 11.691 1.00 0.00 C ATOM 960 C TYR A 62 4.287 -0.451 12.990 1.00 0.00 C ATOM 961 O TYR A 62 3.631 0.590 13.026 1.00 0.00 O ATOM 962 CB TYR A 62 5.700 -0.659 10.937 1.00 0.00 C ATOM 963 CG TYR A 62 6.310 -1.634 9.955 1.00 0.00 C ATOM 964 CD1 TYR A 62 7.193 -2.618 10.381 1.00 0.00 C ATOM 965 CD2 TYR A 62 6.004 -1.570 8.601 1.00 0.00 C ATOM 966 CE1 TYR A 62 7.754 -3.511 9.488 1.00 0.00 C ATOM 967 CE2 TYR A 62 6.559 -2.459 7.701 1.00 0.00 C ATOM 968 CZ TYR A 62 7.433 -3.427 8.149 1.00 0.00 C ATOM 969 OH TYR A 62 7.989 -4.314 7.255 1.00 0.00 O ATOM 0 H TYR A 62 3.435 -0.687 9.963 1.00 0.00 H new ATOM 0 HA TYR A 62 4.683 -2.268 11.937 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.395 0.240 10.402 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.460 -0.358 11.658 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.446 -2.686 11.429 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.321 -0.812 8.246 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.439 -4.270 9.836 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.310 -2.396 6.652 1.00 0.00 H new ATOM 0 HH TYR A 62 7.659 -4.120 6.353 1.00 0.00 H new ATOM 979 N PRO A 63 4.860 -0.973 14.085 1.00 0.00 N ATOM 980 CA PRO A 63 4.754 -0.350 15.407 1.00 0.00 C ATOM 981 C PRO A 63 5.539 0.954 15.499 1.00 0.00 C ATOM 982 O PRO A 63 6.088 1.429 14.505 1.00 0.00 O ATOM 983 CB PRO A 63 5.353 -1.402 16.344 1.00 0.00 C ATOM 984 CG PRO A 63 6.278 -2.192 15.484 1.00 0.00 C ATOM 985 CD PRO A 63 5.656 -2.212 14.115 1.00 0.00 C ATOM 0 HA PRO A 63 3.726 -0.080 15.648 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.885 -0.936 17.174 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.578 -2.034 16.777 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.268 -1.738 15.456 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.402 -3.203 15.871 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.412 -2.223 13.330 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.032 -3.094 13.970 1.00 0.00 H new ATOM 993 N GLU A 64 5.588 1.527 16.697 1.00 0.00 N ATOM 994 CA GLU A 64 6.307 2.777 16.916 1.00 0.00 C ATOM 995 C GLU A 64 7.814 2.539 16.955 1.00 0.00 C ATOM 996 O GLU A 64 8.308 1.750 17.759 1.00 0.00 O ATOM 997 CB GLU A 64 5.850 3.431 18.222 1.00 0.00 C ATOM 998 CG GLU A 64 4.367 3.764 18.249 1.00 0.00 C ATOM 999 CD GLU A 64 4.014 4.764 19.333 1.00 0.00 C ATOM 1000 OE1 GLU A 64 4.277 5.969 19.137 1.00 0.00 O ATOM 1001 OE2 GLU A 64 3.474 4.342 20.377 1.00 0.00 O ATOM 0 H GLU A 64 5.139 1.146 17.530 1.00 0.00 H new ATOM 0 HA GLU A 64 6.083 3.445 16.084 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.079 2.763 19.053 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.422 4.345 18.381 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.071 4.165 17.280 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.796 2.849 18.404 1.00 0.00 H new ATOM 1008 N GLY A 65 8.538 3.227 16.077 1.00 0.00 N ATOM 1009 CA GLY A 65 9.981 3.076 16.026 1.00 0.00 C ATOM 1010 C GLY A 65 10.433 2.214 14.864 1.00 0.00 C ATOM 1011 O GLY A 65 11.509 2.428 14.307 1.00 0.00 O ATOM 0 H GLY A 65 8.152 3.886 15.401 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.444 4.060 15.946 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.330 2.634 16.959 1.00 0.00 H new ATOM 1015 N GLN A 66 9.610 1.236 14.500 1.00 0.00 N ATOM 1016 CA GLN A 66 9.933 0.336 13.399 1.00 0.00 C ATOM 1017 C GLN A 66 9.451 0.909 12.069 1.00 0.00 C ATOM 1018 O GLN A 66 10.014 0.614 11.016 1.00 0.00 O ATOM 1019 CB GLN A 66 9.305 -1.038 13.633 1.00 0.00 C ATOM 1020 CG GLN A 66 10.019 -1.861 14.693 1.00 0.00 C ATOM 1021 CD GLN A 66 9.988 -1.205 16.060 1.00 0.00 C ATOM 1022 OE1 GLN A 66 10.590 -0.152 16.270 1.00 0.00 O ATOM 1023 NE2 GLN A 66 9.282 -1.826 16.999 1.00 0.00 N ATOM 0 H GLN A 66 8.715 1.047 14.951 1.00 0.00 H new ATOM 0 HA GLN A 66 11.017 0.229 13.357 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.264 -0.907 13.927 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.304 -1.592 12.694 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.556 -2.846 14.756 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.055 -2.015 14.391 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.798 -2.697 16.781 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.224 -1.431 17.938 1.00 0.00 H new ATOM 1032 N ALA A 67 8.406 1.727 12.127 1.00 0.00 N ATOM 1033 CA ALA A 67 7.850 2.342 10.929 1.00 0.00 C ATOM 1034 C ALA A 67 8.951 2.710 9.939 1.00 0.00 C ATOM 1035 O ALA A 67 9.928 3.376 10.281 1.00 0.00 O ATOM 1036 CB ALA A 67 7.035 3.573 11.296 1.00 0.00 C ATOM 0 H ALA A 67 7.927 1.979 12.992 1.00 0.00 H new ATOM 0 HA ALA A 67 7.194 1.616 10.450 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.626 4.022 10.391 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.219 3.285 11.959 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.675 4.296 11.802 1.00 0.00 H new ATOM 1042 N PRO A 68 8.790 2.268 8.683 1.00 0.00 N ATOM 1043 CA PRO A 68 9.761 2.540 7.619 1.00 0.00 C ATOM 1044 C PRO A 68 9.772 4.007 7.205 1.00 0.00 C ATOM 1045 O PRO A 68 10.826 4.571 6.909 1.00 0.00 O ATOM 1046 CB PRO A 68 9.274 1.662 6.463 1.00 0.00 C ATOM 1047 CG PRO A 68 7.816 1.483 6.711 1.00 0.00 C ATOM 1048 CD PRO A 68 7.649 1.470 8.205 1.00 0.00 C ATOM 0 HA PRO A 68 10.782 2.327 7.935 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.456 2.139 5.500 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.793 0.704 6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.241 2.293 6.261 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.456 0.553 6.270 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.698 1.908 8.507 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.673 0.456 8.603 1.00 0.00 H new ATOM 1056 N VAL A 69 8.594 4.621 7.187 1.00 0.00 N ATOM 1057 CA VAL A 69 8.469 6.025 6.811 1.00 0.00 C ATOM 1058 C VAL A 69 8.075 6.882 8.009 1.00 0.00 C ATOM 1059 O VAL A 69 6.895 7.149 8.234 1.00 0.00 O ATOM 1060 CB VAL A 69 7.427 6.215 5.693 1.00 0.00 C ATOM 1061 CG1 VAL A 69 7.244 7.692 5.379 1.00 0.00 C ATOM 1062 CG2 VAL A 69 7.836 5.444 4.447 1.00 0.00 C ATOM 0 H VAL A 69 7.712 4.169 7.428 1.00 0.00 H new ATOM 0 HA VAL A 69 9.445 6.343 6.446 1.00 0.00 H new ATOM 0 HB VAL A 69 6.472 5.820 6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.504 7.807 4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.903 8.214 6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.194 8.115 5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.088 5.590 3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.802 5.806 4.096 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.911 4.383 4.684 1.00 0.00 H new ATOM 1072 N LYS A 70 9.072 7.311 8.775 1.00 0.00 N ATOM 1073 CA LYS A 70 8.832 8.140 9.951 1.00 0.00 C ATOM 1074 C LYS A 70 8.662 9.604 9.558 1.00 0.00 C ATOM 1075 O LYS A 70 7.813 10.309 10.103 1.00 0.00 O ATOM 1076 CB LYS A 70 9.987 7.998 10.945 1.00 0.00 C ATOM 1077 CG LYS A 70 10.219 6.570 11.408 1.00 0.00 C ATOM 1078 CD LYS A 70 9.077 6.073 12.278 1.00 0.00 C ATOM 1079 CE LYS A 70 9.328 6.369 13.749 1.00 0.00 C ATOM 1080 NZ LYS A 70 8.778 7.693 14.150 1.00 0.00 N ATOM 0 H LYS A 70 10.055 7.098 8.603 1.00 0.00 H new ATOM 0 HA LYS A 70 7.911 7.799 10.424 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.900 8.375 10.484 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.787 8.625 11.814 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.327 5.919 10.541 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.153 6.515 11.966 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.146 6.546 11.964 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.952 4.999 12.138 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.875 5.588 14.359 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.400 6.346 13.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.563 7.686 15.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.478 8.435 13.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 7.908 7.884 13.614 1.00 0.00 H new ATOM 1094 N LYS A 71 9.475 10.055 8.609 1.00 0.00 N ATOM 1095 CA LYS A 71 9.413 11.435 8.140 1.00 0.00 C ATOM 1096 C LYS A 71 8.266 11.623 7.153 1.00 0.00 C ATOM 1097 O LYS A 71 8.420 11.379 5.955 1.00 0.00 O ATOM 1098 CB LYS A 71 10.737 11.831 7.483 1.00 0.00 C ATOM 1099 CG LYS A 71 11.888 11.964 8.465 1.00 0.00 C ATOM 1100 CD LYS A 71 11.736 13.199 9.338 1.00 0.00 C ATOM 1101 CE LYS A 71 12.402 14.413 8.707 1.00 0.00 C ATOM 1102 NZ LYS A 71 13.886 14.347 8.810 1.00 0.00 N ATOM 0 H LYS A 71 10.185 9.485 8.149 1.00 0.00 H new ATOM 0 HA LYS A 71 9.236 12.078 9.002 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.997 11.086 6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 71 10.605 12.779 6.961 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.935 11.076 9.095 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.830 12.017 7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.678 13.405 9.498 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.175 13.010 10.318 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.113 14.481 7.658 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.044 15.319 9.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.291 15.279 8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.155 14.071 9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 14.250 13.644 8.135 1.00 0.00 H new ATOM 1116 N ILE A 72 7.119 12.060 7.661 1.00 0.00 N ATOM 1117 CA ILE A 72 5.948 12.284 6.823 1.00 0.00 C ATOM 1118 C ILE A 72 5.571 13.761 6.788 1.00 0.00 C ATOM 1119 O ILE A 72 5.324 14.372 7.828 1.00 0.00 O ATOM 1120 CB ILE A 72 4.739 11.467 7.316 1.00 0.00 C ATOM 1121 CG1 ILE A 72 5.139 10.008 7.542 1.00 0.00 C ATOM 1122 CG2 ILE A 72 3.595 11.560 6.317 1.00 0.00 C ATOM 1123 CD1 ILE A 72 4.180 9.250 8.435 1.00 0.00 C ATOM 0 H ILE A 72 6.976 12.266 8.650 1.00 0.00 H new ATOM 0 HA ILE A 72 6.212 11.956 5.818 1.00 0.00 H new ATOM 0 HB ILE A 72 4.401 11.882 8.266 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.201 9.503 6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.135 9.977 7.983 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.748 10.978 6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.296 12.602 6.202 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.920 11.167 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.526 8.223 8.551 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.136 9.731 9.412 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.187 9.250 7.985 1.00 0.00 H new ATOM 1135 N GLN A 73 5.526 14.326 5.587 1.00 0.00 N ATOM 1136 CA GLN A 73 5.177 15.732 5.417 1.00 0.00 C ATOM 1137 C GLN A 73 4.504 15.967 4.069 1.00 0.00 C ATOM 1138 O GLN A 73 4.904 15.394 3.056 1.00 0.00 O ATOM 1139 CB GLN A 73 6.426 16.607 5.536 1.00 0.00 C ATOM 1140 CG GLN A 73 6.120 18.091 5.660 1.00 0.00 C ATOM 1141 CD GLN A 73 5.525 18.454 7.007 1.00 0.00 C ATOM 1142 OE1 GLN A 73 4.359 18.838 7.100 1.00 0.00 O ATOM 1143 NE2 GLN A 73 6.326 18.333 8.060 1.00 0.00 N ATOM 0 H GLN A 73 5.727 13.833 4.717 1.00 0.00 H new ATOM 0 HA GLN A 73 4.475 16.004 6.205 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.001 16.289 6.406 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.057 16.446 4.662 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.036 18.661 5.506 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.427 18.382 4.871 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.286 18.011 7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 73 5.981 18.562 8.992 1.00 0.00 H new ATOM 1152 N ALA A 74 3.479 16.813 4.065 1.00 0.00 N ATOM 1153 CA ALA A 74 2.751 17.125 2.841 1.00 0.00 C ATOM 1154 C ALA A 74 3.266 18.414 2.210 1.00 0.00 C ATOM 1155 O ALA A 74 2.746 19.498 2.477 1.00 0.00 O ATOM 1156 CB ALA A 74 1.261 17.233 3.126 1.00 0.00 C ATOM 0 H ALA A 74 3.134 17.294 4.895 1.00 0.00 H new ATOM 0 HA ALA A 74 2.916 16.313 2.132 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.730 17.466 2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.897 16.286 3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.086 18.024 3.855 1.00 0.00 H new ATOM 1162 N SER A 75 4.290 18.290 1.372 1.00 0.00 N ATOM 1163 CA SER A 75 4.877 19.447 0.706 1.00 0.00 C ATOM 1164 C SER A 75 3.961 19.960 -0.401 1.00 0.00 C ATOM 1165 O SER A 75 4.003 21.136 -0.763 1.00 0.00 O ATOM 1166 CB SER A 75 6.246 19.087 0.125 1.00 0.00 C ATOM 1167 OG SER A 75 7.201 18.889 1.153 1.00 0.00 O ATOM 0 H SER A 75 4.730 17.400 1.138 1.00 0.00 H new ATOM 0 HA SER A 75 5.001 20.237 1.446 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.162 18.182 -0.477 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.583 19.882 -0.540 1.00 0.00 H new ATOM 0 HG SER A 75 7.199 17.947 1.425 1.00 0.00 H new ATOM 1173 N THR A 76 3.132 19.068 -0.936 1.00 0.00 N ATOM 1174 CA THR A 76 2.206 19.429 -2.002 1.00 0.00 C ATOM 1175 C THR A 76 2.955 19.844 -3.263 1.00 0.00 C ATOM 1176 O THR A 76 2.482 20.683 -4.029 1.00 0.00 O ATOM 1177 CB THR A 76 1.273 20.576 -1.571 1.00 0.00 C ATOM 1178 OG1 THR A 76 0.999 20.485 -0.169 1.00 0.00 O ATOM 1179 CG2 THR A 76 -0.032 20.533 -2.351 1.00 0.00 C ATOM 0 H THR A 76 3.083 18.091 -0.648 1.00 0.00 H new ATOM 0 HA THR A 76 1.606 18.544 -2.214 1.00 0.00 H new ATOM 0 HB THR A 76 1.774 21.521 -1.782 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.407 21.219 0.097 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.675 21.352 -2.030 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.177 20.632 -3.416 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.535 19.584 -2.167 1.00 0.00 H new ATOM 1187 N MET A 77 4.125 19.251 -3.474 1.00 0.00 N ATOM 1188 CA MET A 77 4.938 19.559 -4.644 1.00 0.00 C ATOM 1189 C MET A 77 4.942 18.392 -5.626 1.00 0.00 C ATOM 1190 O MET A 77 4.365 17.339 -5.355 1.00 0.00 O ATOM 1191 CB MET A 77 6.371 19.891 -4.224 1.00 0.00 C ATOM 1192 CG MET A 77 6.454 20.923 -3.111 1.00 0.00 C ATOM 1193 SD MET A 77 5.997 22.578 -3.663 1.00 0.00 S ATOM 1194 CE MET A 77 7.221 23.569 -2.809 1.00 0.00 C ATOM 0 H MET A 77 4.531 18.554 -2.850 1.00 0.00 H new ATOM 0 HA MET A 77 4.502 20.427 -5.139 1.00 0.00 H new ATOM 0 HB2 MET A 77 6.867 18.976 -3.898 1.00 0.00 H new ATOM 0 HB3 MET A 77 6.919 20.259 -5.091 1.00 0.00 H new ATOM 0 HG2 MET A 77 5.799 20.623 -2.293 1.00 0.00 H new ATOM 0 HG3 MET A 77 7.469 20.944 -2.715 1.00 0.00 H new ATOM 0 HE1 MET A 77 7.070 24.621 -3.050 1.00 0.00 H new ATOM 0 HE2 MET A 77 7.120 23.425 -1.733 1.00 0.00 H new ATOM 0 HE3 MET A 77 8.219 23.265 -3.124 1.00 0.00 H new ATOM 1204 N ALA A 78 5.595 18.586 -6.767 1.00 0.00 N ATOM 1205 CA ALA A 78 5.675 17.548 -7.788 1.00 0.00 C ATOM 1206 C ALA A 78 6.826 16.588 -7.506 1.00 0.00 C ATOM 1207 O ALA A 78 6.729 15.391 -7.775 1.00 0.00 O ATOM 1208 CB ALA A 78 5.832 18.174 -9.165 1.00 0.00 C ATOM 0 H ALA A 78 6.076 19.452 -7.008 1.00 0.00 H new ATOM 0 HA ALA A 78 4.747 16.977 -7.764 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.890 17.388 -9.918 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.974 18.813 -9.374 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.744 18.770 -9.192 1.00 0.00 H new ATOM 1214 N PHE A 79 7.916 17.122 -6.964 1.00 0.00 N ATOM 1215 CA PHE A 79 9.087 16.313 -6.648 1.00 0.00 C ATOM 1216 C PHE A 79 8.987 15.739 -5.238 1.00 0.00 C ATOM 1217 O PHE A 79 9.510 14.661 -4.955 1.00 0.00 O ATOM 1218 CB PHE A 79 10.362 17.148 -6.782 1.00 0.00 C ATOM 1219 CG PHE A 79 10.159 18.604 -6.475 1.00 0.00 C ATOM 1220 CD1 PHE A 79 9.654 19.465 -7.436 1.00 0.00 C ATOM 1221 CD2 PHE A 79 10.474 19.113 -5.225 1.00 0.00 C ATOM 1222 CE1 PHE A 79 9.467 20.805 -7.156 1.00 0.00 C ATOM 1223 CE2 PHE A 79 10.289 20.452 -4.939 1.00 0.00 C ATOM 1224 CZ PHE A 79 9.784 21.299 -5.906 1.00 0.00 C ATOM 0 H PHE A 79 8.012 18.111 -6.735 1.00 0.00 H new ATOM 0 HA PHE A 79 9.127 15.485 -7.356 1.00 0.00 H new ATOM 0 HB2 PHE A 79 11.122 16.746 -6.112 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.747 17.049 -7.797 1.00 0.00 H new ATOM 0 HD1 PHE A 79 9.404 19.084 -8.415 1.00 0.00 H new ATOM 0 HD2 PHE A 79 10.869 18.455 -4.465 1.00 0.00 H new ATOM 0 HE1 PHE A 79 9.073 21.466 -7.914 1.00 0.00 H new ATOM 0 HE2 PHE A 79 10.539 20.836 -3.961 1.00 0.00 H new ATOM 0 HZ PHE A 79 9.637 22.346 -5.685 1.00 0.00 H new ATOM 1234 N LYS A 80 8.312 16.468 -4.356 1.00 0.00 N ATOM 1235 CA LYS A 80 8.141 16.034 -2.974 1.00 0.00 C ATOM 1236 C LYS A 80 7.128 14.897 -2.882 1.00 0.00 C ATOM 1237 O LYS A 80 7.365 13.897 -2.206 1.00 0.00 O ATOM 1238 CB LYS A 80 7.689 17.206 -2.102 1.00 0.00 C ATOM 1239 CG LYS A 80 8.605 18.415 -2.184 1.00 0.00 C ATOM 1240 CD LYS A 80 9.944 18.147 -1.519 1.00 0.00 C ATOM 1241 CE LYS A 80 9.853 18.283 -0.007 1.00 0.00 C ATOM 1242 NZ LYS A 80 11.188 18.171 0.642 1.00 0.00 N ATOM 0 H LYS A 80 7.874 17.363 -4.574 1.00 0.00 H new ATOM 0 HA LYS A 80 9.103 15.670 -2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.683 17.502 -2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.630 16.875 -1.065 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.764 18.682 -3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.125 19.269 -1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.284 17.144 -1.775 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.688 18.844 -1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.407 19.245 0.245 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.192 17.512 0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.083 18.269 1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.604 17.243 0.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.812 18.923 0.285 1.00 0.00 H new ATOM 1256 N GLN A 81 6.001 15.058 -3.568 1.00 0.00 N ATOM 1257 CA GLN A 81 4.953 14.045 -3.563 1.00 0.00 C ATOM 1258 C GLN A 81 5.438 12.757 -4.220 1.00 0.00 C ATOM 1259 O GLN A 81 5.465 11.700 -3.591 1.00 0.00 O ATOM 1260 CB GLN A 81 3.709 14.563 -4.287 1.00 0.00 C ATOM 1261 CG GLN A 81 3.020 15.711 -3.568 1.00 0.00 C ATOM 1262 CD GLN A 81 1.899 16.323 -4.384 1.00 0.00 C ATOM 1263 OE1 GLN A 81 2.056 16.585 -5.577 1.00 0.00 O ATOM 1264 NE2 GLN A 81 0.759 16.555 -3.745 1.00 0.00 N ATOM 0 H GLN A 81 5.791 15.880 -4.134 1.00 0.00 H new ATOM 0 HA GLN A 81 4.697 13.829 -2.526 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.991 14.889 -5.288 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.001 13.743 -4.407 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.620 15.352 -2.620 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.755 16.481 -3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 81 0.672 16.322 -2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.030 16.966 -4.243 1.00 0.00 H new ATOM 1273 N MET A 82 5.822 12.853 -5.489 1.00 0.00 N ATOM 1274 CA MET A 82 6.308 11.695 -6.230 1.00 0.00 C ATOM 1275 C MET A 82 7.204 10.826 -5.354 1.00 0.00 C ATOM 1276 O MET A 82 6.842 9.704 -5.002 1.00 0.00 O ATOM 1277 CB MET A 82 7.073 12.145 -7.476 1.00 0.00 C ATOM 1278 CG MET A 82 6.189 12.332 -8.698 1.00 0.00 C ATOM 1279 SD MET A 82 7.139 12.538 -10.217 1.00 0.00 S ATOM 1280 CE MET A 82 6.986 14.304 -10.476 1.00 0.00 C ATOM 0 H MET A 82 5.806 13.721 -6.025 1.00 0.00 H new ATOM 0 HA MET A 82 5.446 11.103 -6.536 1.00 0.00 H new ATOM 0 HB2 MET A 82 7.583 13.084 -7.260 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.844 11.409 -7.705 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.530 11.470 -8.800 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.552 13.204 -8.551 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.720 14.498 -11.515 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.210 14.702 -9.822 1.00 0.00 H new ATOM 0 HE3 MET A 82 7.935 14.789 -10.249 1.00 0.00 H new ATOM 1290 N GLU A 83 8.375 11.352 -5.008 1.00 0.00 N ATOM 1291 CA GLU A 83 9.322 10.621 -4.174 1.00 0.00 C ATOM 1292 C GLU A 83 8.624 10.013 -2.962 1.00 0.00 C ATOM 1293 O GLU A 83 8.954 8.907 -2.533 1.00 0.00 O ATOM 1294 CB GLU A 83 10.451 11.547 -3.715 1.00 0.00 C ATOM 1295 CG GLU A 83 11.383 10.911 -2.697 1.00 0.00 C ATOM 1296 CD GLU A 83 12.716 11.629 -2.599 1.00 0.00 C ATOM 1297 OE1 GLU A 83 13.279 11.982 -3.656 1.00 0.00 O ATOM 1298 OE2 GLU A 83 13.194 11.837 -1.465 1.00 0.00 O ATOM 0 H GLU A 83 8.690 12.280 -5.292 1.00 0.00 H new ATOM 0 HA GLU A 83 9.744 9.813 -4.771 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.032 11.856 -4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.017 12.449 -3.284 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.902 10.911 -1.719 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.555 9.869 -2.968 1.00 0.00 H new ATOM 1305 N GLN A 84 7.658 10.743 -2.414 1.00 0.00 N ATOM 1306 CA GLN A 84 6.914 10.276 -1.250 1.00 0.00 C ATOM 1307 C GLN A 84 6.302 8.903 -1.510 1.00 0.00 C ATOM 1308 O GLN A 84 6.264 8.052 -0.622 1.00 0.00 O ATOM 1309 CB GLN A 84 5.815 11.276 -0.886 1.00 0.00 C ATOM 1310 CG GLN A 84 5.388 11.207 0.571 1.00 0.00 C ATOM 1311 CD GLN A 84 6.226 12.096 1.468 1.00 0.00 C ATOM 1312 OE1 GLN A 84 6.185 13.322 1.360 1.00 0.00 O ATOM 1313 NE2 GLN A 84 6.993 11.481 2.361 1.00 0.00 N ATOM 0 H GLN A 84 7.372 11.660 -2.757 1.00 0.00 H new ATOM 0 HA GLN A 84 7.610 10.192 -0.415 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.166 12.284 -1.106 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.947 11.095 -1.519 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.341 11.499 0.653 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.460 10.176 0.918 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.996 10.462 2.416 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.579 12.027 2.992 1.00 0.00 H new ATOM 1322 N ILE A 85 5.825 8.696 -2.733 1.00 0.00 N ATOM 1323 CA ILE A 85 5.216 7.426 -3.109 1.00 0.00 C ATOM 1324 C ILE A 85 6.226 6.286 -3.028 1.00 0.00 C ATOM 1325 O ILE A 85 5.997 5.288 -2.344 1.00 0.00 O ATOM 1326 CB ILE A 85 4.635 7.481 -4.534 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.535 8.541 -4.620 1.00 0.00 C ATOM 1328 CG2 ILE A 85 4.095 6.117 -4.939 1.00 0.00 C ATOM 1329 CD1 ILE A 85 3.188 8.939 -6.037 1.00 0.00 C ATOM 0 H ILE A 85 5.848 9.391 -3.480 1.00 0.00 H new ATOM 0 HA ILE A 85 4.407 7.242 -2.402 1.00 0.00 H new ATOM 0 HB ILE A 85 5.433 7.755 -5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.639 8.163 -4.128 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.852 9.427 -4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.688 6.172 -5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.901 5.384 -4.912 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.309 5.817 -4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.401 9.693 -6.021 1.00 0.00 H new ATOM 0 HD12 ILE A 85 4.072 9.347 -6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.840 8.064 -6.586 1.00 0.00 H new ATOM 1341 N SER A 86 7.345 6.443 -3.728 1.00 0.00 N ATOM 1342 CA SER A 86 8.390 5.426 -3.737 1.00 0.00 C ATOM 1343 C SER A 86 8.749 5.004 -2.316 1.00 0.00 C ATOM 1344 O SER A 86 8.886 3.816 -2.026 1.00 0.00 O ATOM 1345 CB SER A 86 9.635 5.951 -4.455 1.00 0.00 C ATOM 1346 OG SER A 86 10.501 4.889 -4.815 1.00 0.00 O ATOM 0 H SER A 86 7.551 7.265 -4.296 1.00 0.00 H new ATOM 0 HA SER A 86 8.011 4.555 -4.271 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.339 6.502 -5.348 1.00 0.00 H new ATOM 0 HB3 SER A 86 10.163 6.652 -3.809 1.00 0.00 H new ATOM 0 HG SER A 86 11.288 5.250 -5.274 1.00 0.00 H new ATOM 1352 N GLN A 87 8.900 5.987 -1.433 1.00 0.00 N ATOM 1353 CA GLN A 87 9.244 5.718 -0.042 1.00 0.00 C ATOM 1354 C GLN A 87 8.451 4.531 0.495 1.00 0.00 C ATOM 1355 O GLN A 87 9.009 3.632 1.124 1.00 0.00 O ATOM 1356 CB GLN A 87 8.981 6.954 0.819 1.00 0.00 C ATOM 1357 CG GLN A 87 9.890 8.128 0.492 1.00 0.00 C ATOM 1358 CD GLN A 87 10.018 9.105 1.644 1.00 0.00 C ATOM 1359 OE1 GLN A 87 10.436 8.736 2.742 1.00 0.00 O ATOM 1360 NE2 GLN A 87 9.658 10.359 1.400 1.00 0.00 N ATOM 0 H GLN A 87 8.789 6.976 -1.657 1.00 0.00 H new ATOM 0 HA GLN A 87 10.305 5.473 0.003 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.943 7.262 0.691 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.107 6.689 1.869 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.879 7.754 0.226 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.501 8.651 -0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.317 10.621 0.475 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.722 11.061 2.137 1.00 0.00 H new ATOM 1369 N PHE A 88 7.146 4.535 0.243 1.00 0.00 N ATOM 1370 CA PHE A 88 6.275 3.460 0.703 1.00 0.00 C ATOM 1371 C PHE A 88 6.566 2.165 -0.051 1.00 0.00 C ATOM 1372 O PHE A 88 6.594 1.083 0.537 1.00 0.00 O ATOM 1373 CB PHE A 88 4.807 3.851 0.521 1.00 0.00 C ATOM 1374 CG PHE A 88 3.892 2.674 0.332 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.840 1.661 1.276 1.00 0.00 C ATOM 1376 CD2 PHE A 88 3.085 2.581 -0.790 1.00 0.00 C ATOM 1377 CE1 PHE A 88 3.000 0.578 1.104 1.00 0.00 C ATOM 1378 CE2 PHE A 88 2.242 1.500 -0.968 1.00 0.00 C ATOM 1379 CZ PHE A 88 2.199 0.497 -0.019 1.00 0.00 C ATOM 0 H PHE A 88 6.669 5.271 -0.277 1.00 0.00 H new ATOM 0 HA PHE A 88 6.471 3.295 1.763 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.480 4.419 1.392 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.719 4.511 -0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.463 1.719 2.156 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.115 3.363 -1.535 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.969 -0.205 1.847 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.618 1.440 -1.847 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.541 -0.348 -0.155 1.00 0.00 H new ATOM 1389 N LEU A 89 6.780 2.283 -1.357 1.00 0.00 N ATOM 1390 CA LEU A 89 7.068 1.123 -2.193 1.00 0.00 C ATOM 1391 C LEU A 89 8.306 0.386 -1.694 1.00 0.00 C ATOM 1392 O LEU A 89 8.247 -0.803 -1.381 1.00 0.00 O ATOM 1393 CB LEU A 89 7.269 1.555 -3.647 1.00 0.00 C ATOM 1394 CG LEU A 89 6.103 2.306 -4.291 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.537 2.941 -5.603 1.00 0.00 C ATOM 1396 CD2 LEU A 89 4.924 1.369 -4.515 1.00 0.00 C ATOM 0 H LEU A 89 6.759 3.170 -1.860 1.00 0.00 H new ATOM 0 HA LEU A 89 6.217 0.445 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.155 2.188 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.477 0.667 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 89 5.788 3.099 -3.613 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.694 3.471 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.350 3.643 -5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.879 2.165 -6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.103 1.920 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.227 0.554 -5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.597 0.961 -3.559 1.00 0.00 H new ATOM 1408 N GLN A 90 9.424 1.100 -1.620 1.00 0.00 N ATOM 1409 CA GLN A 90 10.676 0.513 -1.157 1.00 0.00 C ATOM 1410 C GLN A 90 10.433 -0.433 0.014 1.00 0.00 C ATOM 1411 O GLN A 90 11.210 -1.358 0.248 1.00 0.00 O ATOM 1412 CB GLN A 90 11.658 1.612 -0.746 1.00 0.00 C ATOM 1413 CG GLN A 90 12.091 2.504 -1.898 1.00 0.00 C ATOM 1414 CD GLN A 90 13.121 3.535 -1.483 1.00 0.00 C ATOM 1415 OE1 GLN A 90 12.925 4.736 -1.672 1.00 0.00 O ATOM 1416 NE2 GLN A 90 14.227 3.071 -0.912 1.00 0.00 N ATOM 0 H GLN A 90 9.489 2.086 -1.875 1.00 0.00 H new ATOM 0 HA GLN A 90 11.106 -0.059 -1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.198 2.228 0.026 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.541 1.151 -0.303 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.502 1.886 -2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.218 3.013 -2.307 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.348 2.067 -0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 90 14.955 3.718 -0.611 1.00 0.00 H new ATOM 1425 N ALA A 91 9.351 -0.194 0.747 1.00 0.00 N ATOM 1426 CA ALA A 91 9.005 -1.026 1.893 1.00 0.00 C ATOM 1427 C ALA A 91 7.935 -2.048 1.526 1.00 0.00 C ATOM 1428 O ALA A 91 7.891 -3.143 2.086 1.00 0.00 O ATOM 1429 CB ALA A 91 8.534 -0.159 3.051 1.00 0.00 C ATOM 0 H ALA A 91 8.699 0.569 0.568 1.00 0.00 H new ATOM 0 HA ALA A 91 9.899 -1.569 2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.279 -0.793 3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.330 0.529 3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.656 0.410 2.746 1.00 0.00 H new ATOM 1435 N ALA A 92 7.073 -1.684 0.582 1.00 0.00 N ATOM 1436 CA ALA A 92 6.004 -2.571 0.139 1.00 0.00 C ATOM 1437 C ALA A 92 6.556 -3.931 -0.274 1.00 0.00 C ATOM 1438 O ALA A 92 5.928 -4.962 -0.037 1.00 0.00 O ATOM 1439 CB ALA A 92 5.236 -1.938 -1.012 1.00 0.00 C ATOM 0 H ALA A 92 7.094 -0.781 0.109 1.00 0.00 H new ATOM 0 HA ALA A 92 5.322 -2.724 0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.441 -2.611 -1.333 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.802 -0.994 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.915 -1.755 -1.845 1.00 0.00 H new ATOM 1445 N GLU A 93 7.731 -3.924 -0.894 1.00 0.00 N ATOM 1446 CA GLU A 93 8.365 -5.159 -1.342 1.00 0.00 C ATOM 1447 C GLU A 93 9.171 -5.797 -0.214 1.00 0.00 C ATOM 1448 O GLU A 93 9.420 -7.002 -0.220 1.00 0.00 O ATOM 1449 CB GLU A 93 9.274 -4.886 -2.542 1.00 0.00 C ATOM 1450 CG GLU A 93 10.349 -5.940 -2.744 1.00 0.00 C ATOM 1451 CD GLU A 93 9.781 -7.277 -3.178 1.00 0.00 C ATOM 1452 OE1 GLU A 93 8.698 -7.289 -3.798 1.00 0.00 O ATOM 1453 OE2 GLU A 93 10.422 -8.312 -2.897 1.00 0.00 O ATOM 0 H GLU A 93 8.263 -3.078 -1.098 1.00 0.00 H new ATOM 0 HA GLU A 93 7.579 -5.853 -1.641 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.663 -4.825 -3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.750 -3.914 -2.413 1.00 0.00 H new ATOM 0 HG2 GLU A 93 11.059 -5.590 -3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.904 -6.070 -1.815 1.00 0.00 H new ATOM 1460 N ARG A 94 9.577 -4.978 0.751 1.00 0.00 N ATOM 1461 CA ARG A 94 10.357 -5.461 1.885 1.00 0.00 C ATOM 1462 C ARG A 94 9.449 -6.070 2.949 1.00 0.00 C ATOM 1463 O ARG A 94 9.909 -6.799 3.829 1.00 0.00 O ATOM 1464 CB ARG A 94 11.176 -4.320 2.491 1.00 0.00 C ATOM 1465 CG ARG A 94 12.399 -3.945 1.670 1.00 0.00 C ATOM 1466 CD ARG A 94 13.134 -2.759 2.275 1.00 0.00 C ATOM 1467 NE ARG A 94 13.464 -2.979 3.680 1.00 0.00 N ATOM 1468 CZ ARG A 94 14.096 -2.087 4.435 1.00 0.00 C ATOM 1469 NH1 ARG A 94 14.464 -0.921 3.922 1.00 0.00 N ATOM 1470 NH2 ARG A 94 14.361 -2.360 5.706 1.00 0.00 N ATOM 0 H ARG A 94 9.379 -3.978 0.770 1.00 0.00 H new ATOM 0 HA ARG A 94 11.035 -6.234 1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.538 -3.443 2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.495 -4.606 3.493 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.073 -4.799 1.608 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.095 -3.705 0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 94 14.049 -2.574 1.712 1.00 0.00 H new ATOM 0 HD3 ARG A 94 12.517 -1.865 2.183 1.00 0.00 H new ATOM 0 HE ARG A 94 13.195 -3.866 4.105 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.262 -0.707 2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.949 -0.238 4.504 1.00 0.00 H new ATOM 0 HH21 ARG A 94 14.079 -3.256 6.105 1.00 0.00 H new ATOM 0 HH22 ARG A 94 14.846 -1.674 6.284 1.00 0.00 H new ATOM 1484 N TYR A 95 8.158 -5.767 2.862 1.00 0.00 N ATOM 1485 CA TYR A 95 7.186 -6.283 3.819 1.00 0.00 C ATOM 1486 C TYR A 95 6.799 -7.719 3.482 1.00 0.00 C ATOM 1487 O TYR A 95 6.897 -8.614 4.320 1.00 0.00 O ATOM 1488 CB TYR A 95 5.939 -5.397 3.838 1.00 0.00 C ATOM 1489 CG TYR A 95 4.688 -6.122 4.281 1.00 0.00 C ATOM 1490 CD1 TYR A 95 4.424 -6.332 5.629 1.00 0.00 C ATOM 1491 CD2 TYR A 95 3.770 -6.597 3.352 1.00 0.00 C ATOM 1492 CE1 TYR A 95 3.283 -6.995 6.039 1.00 0.00 C ATOM 1493 CE2 TYR A 95 2.626 -7.259 3.753 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.387 -7.456 5.097 1.00 0.00 C ATOM 1495 OH TYR A 95 1.249 -8.115 5.501 1.00 0.00 O ATOM 0 H TYR A 95 7.761 -5.167 2.139 1.00 0.00 H new ATOM 0 HA TYR A 95 7.646 -6.273 4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.114 -4.552 4.504 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.778 -4.989 2.840 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.123 -5.971 6.369 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.954 -6.446 2.299 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.094 -7.151 7.091 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.922 -7.621 3.018 1.00 0.00 H new ATOM 0 HH TYR A 95 1.491 -8.993 5.863 1.00 0.00 H new ATOM 1505 N GLY A 96 6.358 -7.932 2.245 1.00 0.00 N ATOM 1506 CA GLY A 96 5.963 -9.261 1.817 1.00 0.00 C ATOM 1507 C GLY A 96 5.538 -9.299 0.362 1.00 0.00 C ATOM 1508 O GLY A 96 5.776 -10.286 -0.335 1.00 0.00 O ATOM 0 H GLY A 96 6.268 -7.208 1.532 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.794 -9.950 1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.141 -9.611 2.442 1.00 0.00 H new ATOM 1512 N ILE A 97 4.908 -8.224 -0.097 1.00 0.00 N ATOM 1513 CA ILE A 97 4.449 -8.139 -1.478 1.00 0.00 C ATOM 1514 C ILE A 97 5.596 -8.380 -2.454 1.00 0.00 C ATOM 1515 O ILE A 97 6.766 -8.330 -2.077 1.00 0.00 O ATOM 1516 CB ILE A 97 3.815 -6.768 -1.777 1.00 0.00 C ATOM 1517 CG1 ILE A 97 2.688 -6.475 -0.784 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.293 -6.726 -3.206 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.339 -5.007 -0.682 1.00 0.00 C ATOM 0 H ILE A 97 4.703 -7.399 0.467 1.00 0.00 H new ATOM 0 HA ILE A 97 3.695 -8.915 -1.608 1.00 0.00 H new ATOM 0 HB ILE A 97 4.580 -5.999 -1.667 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.799 -7.032 -1.081 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.978 -6.840 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.848 -5.751 -3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.117 -6.895 -3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.540 -7.502 -3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.533 -4.874 0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.215 -4.447 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.017 -4.641 -1.657 1.00 0.00 H new ATOM 1531 N ASN A 98 5.251 -8.639 -3.711 1.00 0.00 N ATOM 1532 CA ASN A 98 6.252 -8.886 -4.742 1.00 0.00 C ATOM 1533 C ASN A 98 6.396 -7.677 -5.662 1.00 0.00 C ATOM 1534 O ASN A 98 5.774 -6.637 -5.441 1.00 0.00 O ATOM 1535 CB ASN A 98 5.876 -10.123 -5.561 1.00 0.00 C ATOM 1536 CG ASN A 98 7.076 -10.754 -6.240 1.00 0.00 C ATOM 1537 OD1 ASN A 98 7.059 -11.010 -7.444 1.00 0.00 O ATOM 1538 ND2 ASN A 98 8.126 -11.008 -5.467 1.00 0.00 N ATOM 0 H ASN A 98 4.287 -8.683 -4.040 1.00 0.00 H new ATOM 0 HA ASN A 98 7.209 -9.061 -4.250 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.403 -10.857 -4.909 1.00 0.00 H new ATOM 0 HB3 ASN A 98 5.139 -9.846 -6.315 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.963 -11.432 -5.867 1.00 0.00 H new ATOM 0 HD22 ASN A 98 8.095 -10.779 -4.474 1.00 0.00 H new ATOM 1545 N THR A 99 7.219 -7.821 -6.696 1.00 0.00 N ATOM 1546 CA THR A 99 7.445 -6.742 -7.649 1.00 0.00 C ATOM 1547 C THR A 99 6.492 -6.847 -8.834 1.00 0.00 C ATOM 1548 O THR A 99 6.431 -5.951 -9.677 1.00 0.00 O ATOM 1549 CB THR A 99 8.895 -6.747 -8.170 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.146 -7.948 -8.908 1.00 0.00 O ATOM 1551 CG2 THR A 99 9.883 -6.637 -7.019 1.00 0.00 C ATOM 0 H THR A 99 7.740 -8.675 -6.895 1.00 0.00 H new ATOM 0 HA THR A 99 7.260 -5.808 -7.118 1.00 0.00 H new ATOM 0 HB THR A 99 9.026 -5.885 -8.824 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.069 -7.943 -9.237 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.900 -6.643 -7.411 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.708 -5.708 -6.477 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.750 -7.482 -6.343 1.00 0.00 H new ATOM 1559 N THR A 100 5.746 -7.946 -8.893 1.00 0.00 N ATOM 1560 CA THR A 100 4.795 -8.167 -9.975 1.00 0.00 C ATOM 1561 C THR A 100 3.494 -7.413 -9.726 1.00 0.00 C ATOM 1562 O THR A 100 2.808 -7.013 -10.667 1.00 0.00 O ATOM 1563 CB THR A 100 4.481 -9.665 -10.149 1.00 0.00 C ATOM 1564 OG1 THR A 100 3.708 -9.869 -11.337 1.00 0.00 O ATOM 1565 CG2 THR A 100 3.722 -10.203 -8.945 1.00 0.00 C ATOM 0 H THR A 100 5.782 -8.697 -8.204 1.00 0.00 H new ATOM 0 HA THR A 100 5.260 -7.792 -10.887 1.00 0.00 H new ATOM 0 HB THR A 100 5.425 -10.204 -10.233 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.514 -10.824 -11.441 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.512 -11.262 -9.091 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.326 -10.073 -8.047 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.784 -9.659 -8.833 1.00 0.00 H new ATOM 1573 N ASP A 101 3.160 -7.222 -8.455 1.00 0.00 N ATOM 1574 CA ASP A 101 1.941 -6.513 -8.082 1.00 0.00 C ATOM 1575 C ASP A 101 2.225 -5.034 -7.841 1.00 0.00 C ATOM 1576 O ASP A 101 1.530 -4.165 -8.368 1.00 0.00 O ATOM 1577 CB ASP A 101 1.325 -7.138 -6.829 1.00 0.00 C ATOM 1578 CG ASP A 101 2.367 -7.761 -5.921 1.00 0.00 C ATOM 1579 OD1 ASP A 101 3.525 -7.296 -5.942 1.00 0.00 O ATOM 1580 OD2 ASP A 101 2.023 -8.713 -5.190 1.00 0.00 O ATOM 0 H ASP A 101 3.716 -7.548 -7.665 1.00 0.00 H new ATOM 0 HA ASP A 101 1.233 -6.599 -8.907 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.777 -6.374 -6.278 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.602 -7.899 -7.124 1.00 0.00 H new ATOM 1585 N ILE A 102 3.249 -4.755 -7.042 1.00 0.00 N ATOM 1586 CA ILE A 102 3.623 -3.381 -6.731 1.00 0.00 C ATOM 1587 C ILE A 102 3.477 -2.482 -7.954 1.00 0.00 C ATOM 1588 O ILE A 102 3.733 -2.903 -9.082 1.00 0.00 O ATOM 1589 CB ILE A 102 5.072 -3.296 -6.215 1.00 0.00 C ATOM 1590 CG1 ILE A 102 5.151 -3.782 -4.767 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.592 -1.870 -6.330 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.547 -4.173 -4.336 1.00 0.00 C ATOM 0 H ILE A 102 3.835 -5.462 -6.598 1.00 0.00 H new ATOM 0 HA ILE A 102 2.946 -3.038 -5.948 1.00 0.00 H new ATOM 0 HB ILE A 102 5.699 -3.942 -6.829 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.783 -2.996 -4.108 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.488 -4.638 -4.643 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.617 -1.826 -5.962 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.568 -1.557 -7.374 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.964 -1.205 -5.737 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.527 -4.507 -3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 102 6.911 -4.981 -4.971 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.210 -3.313 -4.427 1.00 0.00 H new ATOM 1604 N PHE A 103 3.064 -1.240 -7.722 1.00 0.00 N ATOM 1605 CA PHE A 103 2.884 -0.280 -8.804 1.00 0.00 C ATOM 1606 C PHE A 103 4.080 0.663 -8.899 1.00 0.00 C ATOM 1607 O PHE A 103 5.013 0.581 -8.100 1.00 0.00 O ATOM 1608 CB PHE A 103 1.601 0.526 -8.592 1.00 0.00 C ATOM 1609 CG PHE A 103 1.556 1.246 -7.274 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.310 0.554 -6.100 1.00 0.00 C ATOM 1611 CD2 PHE A 103 1.761 2.615 -7.211 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.268 1.214 -4.886 1.00 0.00 C ATOM 1613 CE2 PHE A 103 1.720 3.281 -6.000 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.475 2.579 -4.836 1.00 0.00 C ATOM 0 H PHE A 103 2.848 -0.875 -6.794 1.00 0.00 H new ATOM 0 HA PHE A 103 2.806 -0.835 -9.739 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.501 1.253 -9.398 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.745 -0.145 -8.660 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.149 -0.513 -6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 103 1.955 3.168 -8.118 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.074 0.663 -3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 103 1.879 4.349 -5.964 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.445 3.096 -3.888 1.00 0.00 H new ATOM 1624 N GLN A 104 4.044 1.558 -9.882 1.00 0.00 N ATOM 1625 CA GLN A 104 5.125 2.515 -10.082 1.00 0.00 C ATOM 1626 C GLN A 104 4.751 3.884 -9.522 1.00 0.00 C ATOM 1627 O GLN A 104 3.586 4.148 -9.225 1.00 0.00 O ATOM 1628 CB GLN A 104 5.460 2.635 -11.570 1.00 0.00 C ATOM 1629 CG GLN A 104 6.423 1.567 -12.064 1.00 0.00 C ATOM 1630 CD GLN A 104 6.254 1.267 -13.540 1.00 0.00 C ATOM 1631 OE1 GLN A 104 7.139 1.548 -14.349 1.00 0.00 O ATOM 1632 NE2 GLN A 104 5.112 0.691 -13.900 1.00 0.00 N ATOM 0 H GLN A 104 3.279 1.640 -10.551 1.00 0.00 H new ATOM 0 HA GLN A 104 6.002 2.150 -9.547 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.538 2.576 -12.148 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.892 3.618 -11.759 1.00 0.00 H new ATOM 0 HG2 GLN A 104 7.447 1.892 -11.878 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.270 0.652 -11.491 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.406 0.475 -13.197 1.00 0.00 H new ATOM 0 HE22 GLN A 104 4.942 0.464 -14.880 1.00 0.00 H new ATOM 1641 N THR A 105 5.748 4.752 -9.378 1.00 0.00 N ATOM 1642 CA THR A 105 5.524 6.092 -8.852 1.00 0.00 C ATOM 1643 C THR A 105 4.571 6.880 -9.743 1.00 0.00 C ATOM 1644 O THR A 105 3.523 7.344 -9.291 1.00 0.00 O ATOM 1645 CB THR A 105 6.846 6.871 -8.719 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.775 6.128 -7.923 1.00 0.00 O ATOM 1647 CG2 THR A 105 6.610 8.236 -8.089 1.00 0.00 C ATOM 0 H THR A 105 6.718 4.550 -9.619 1.00 0.00 H new ATOM 0 HA THR A 105 5.079 5.974 -7.864 1.00 0.00 H new ATOM 0 HB THR A 105 7.258 7.016 -9.718 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.613 6.630 -7.845 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.558 8.767 -8.006 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.926 8.811 -8.713 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.177 8.109 -7.097 1.00 0.00 H new ATOM 1655 N VAL A 106 4.939 7.029 -11.011 1.00 0.00 N ATOM 1656 CA VAL A 106 4.115 7.760 -11.966 1.00 0.00 C ATOM 1657 C VAL A 106 2.762 7.084 -12.154 1.00 0.00 C ATOM 1658 O VAL A 106 1.723 7.746 -12.175 1.00 0.00 O ATOM 1659 CB VAL A 106 4.812 7.878 -13.334 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.138 6.499 -13.889 1.00 0.00 C ATOM 1661 CG2 VAL A 106 3.945 8.662 -14.308 1.00 0.00 C ATOM 0 H VAL A 106 5.803 6.653 -11.401 1.00 0.00 H new ATOM 0 HA VAL A 106 3.965 8.759 -11.556 1.00 0.00 H new ATOM 0 HB VAL A 106 5.748 8.420 -13.199 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.630 6.603 -14.856 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.801 5.976 -13.199 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.217 5.928 -14.010 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.453 8.736 -15.269 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.992 8.150 -14.440 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.768 9.663 -13.914 1.00 0.00 H new ATOM 1671 N ASP A 107 2.780 5.763 -12.291 1.00 0.00 N ATOM 1672 CA ASP A 107 1.554 4.996 -12.476 1.00 0.00 C ATOM 1673 C ASP A 107 0.414 5.587 -11.652 1.00 0.00 C ATOM 1674 O ASP A 107 -0.701 5.758 -12.149 1.00 0.00 O ATOM 1675 CB ASP A 107 1.777 3.534 -12.085 1.00 0.00 C ATOM 1676 CG ASP A 107 0.476 2.775 -11.914 1.00 0.00 C ATOM 1677 OD1 ASP A 107 -0.577 3.301 -12.331 1.00 0.00 O ATOM 1678 OD2 ASP A 107 0.511 1.655 -11.364 1.00 0.00 O ATOM 0 H ASP A 107 3.631 5.201 -12.277 1.00 0.00 H new ATOM 0 HA ASP A 107 1.280 5.044 -13.530 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.382 3.045 -12.849 1.00 0.00 H new ATOM 0 HB3 ASP A 107 2.344 3.492 -11.155 1.00 0.00 H new ATOM 1683 N LEU A 108 0.699 5.896 -10.392 1.00 0.00 N ATOM 1684 CA LEU A 108 -0.302 6.468 -9.499 1.00 0.00 C ATOM 1685 C LEU A 108 -0.302 7.991 -9.583 1.00 0.00 C ATOM 1686 O LEU A 108 -1.359 8.621 -9.603 1.00 0.00 O ATOM 1687 CB LEU A 108 -0.041 6.025 -8.058 1.00 0.00 C ATOM 1688 CG LEU A 108 -0.892 6.703 -6.983 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -2.331 6.216 -7.056 1.00 0.00 C ATOM 1690 CD2 LEU A 108 -0.309 6.445 -5.601 1.00 0.00 C ATOM 0 H LEU A 108 1.616 5.760 -9.966 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.281 6.106 -9.813 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.202 4.949 -7.995 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.009 6.204 -7.828 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.884 7.778 -7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.922 6.709 -6.284 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.746 6.452 -8.036 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.358 5.138 -6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.927 6.935 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.286 5.372 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.705 6.843 -5.553 1.00 0.00 H new ATOM 1702 N TRP A 109 0.890 8.574 -9.634 1.00 0.00 N ATOM 1703 CA TRP A 109 1.028 10.024 -9.719 1.00 0.00 C ATOM 1704 C TRP A 109 0.214 10.581 -10.881 1.00 0.00 C ATOM 1705 O TRP A 109 -0.692 11.390 -10.684 1.00 0.00 O ATOM 1706 CB TRP A 109 2.500 10.408 -9.880 1.00 0.00 C ATOM 1707 CG TRP A 109 2.795 11.817 -9.461 1.00 0.00 C ATOM 1708 CD1 TRP A 109 2.749 12.321 -8.192 1.00 0.00 C ATOM 1709 CD2 TRP A 109 3.181 12.901 -10.312 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.082 13.654 -8.204 1.00 0.00 N ATOM 1711 CE2 TRP A 109 3.352 14.034 -9.492 1.00 0.00 C ATOM 1712 CE3 TRP A 109 3.400 13.025 -11.687 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 3.731 15.272 -10.004 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 3.775 14.255 -12.193 1.00 0.00 C ATOM 1715 CH2 TRP A 109 3.938 15.365 -11.353 1.00 0.00 C ATOM 0 H TRP A 109 1.774 8.066 -9.618 1.00 0.00 H new ATOM 0 HA TRP A 109 0.647 10.455 -8.794 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.113 9.725 -9.291 1.00 0.00 H new ATOM 0 HB3 TRP A 109 2.790 10.278 -10.923 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.489 11.755 -7.310 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.122 14.262 -7.386 1.00 0.00 H new ATOM 0 HE3 TRP A 109 3.278 12.175 -12.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 3.857 16.129 -9.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 3.945 14.363 -13.254 1.00 0.00 H new ATOM 0 HH2 TRP A 109 4.233 16.313 -11.779 1.00 0.00 H new ATOM 1726 N GLU A 110 0.543 10.143 -12.092 1.00 0.00 N ATOM 1727 CA GLU A 110 -0.159 10.600 -13.286 1.00 0.00 C ATOM 1728 C GLU A 110 -1.360 9.707 -13.587 1.00 0.00 C ATOM 1729 O GLU A 110 -2.085 9.929 -14.555 1.00 0.00 O ATOM 1730 CB GLU A 110 0.789 10.619 -14.486 1.00 0.00 C ATOM 1731 CG GLU A 110 1.517 11.941 -14.666 1.00 0.00 C ATOM 1732 CD GLU A 110 0.752 12.914 -15.543 1.00 0.00 C ATOM 1733 OE1 GLU A 110 0.878 12.820 -16.782 1.00 0.00 O ATOM 1734 OE2 GLU A 110 0.027 13.768 -14.990 1.00 0.00 O ATOM 0 H GLU A 110 1.291 9.473 -12.272 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.518 11.612 -13.100 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.524 9.822 -14.371 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.221 10.400 -15.390 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.686 12.394 -13.689 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.497 11.755 -15.105 1.00 0.00 H new ATOM 1741 N GLY A 111 -1.562 8.695 -12.748 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.675 7.783 -12.941 1.00 0.00 C ATOM 1743 C GLY A 111 -2.756 7.260 -14.361 1.00 0.00 C ATOM 1744 O GLY A 111 -3.788 7.389 -15.020 1.00 0.00 O ATOM 0 H GLY A 111 -0.975 8.491 -11.939 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.576 6.943 -12.253 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.606 8.292 -12.691 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.665 6.670 -14.836 1.00 0.00 N ATOM 1749 CA LYS A 112 -1.616 6.126 -16.188 1.00 0.00 C ATOM 1750 C LYS A 112 -2.063 4.668 -16.204 1.00 0.00 C ATOM 1751 O LYS A 112 -2.815 4.249 -17.084 1.00 0.00 O ATOM 1752 CB LYS A 112 -0.199 6.242 -16.755 1.00 0.00 C ATOM 1753 CG LYS A 112 0.085 7.581 -17.413 1.00 0.00 C ATOM 1754 CD LYS A 112 1.415 7.571 -18.147 1.00 0.00 C ATOM 1755 CE LYS A 112 1.888 8.982 -18.464 1.00 0.00 C ATOM 1756 NZ LYS A 112 3.284 8.996 -18.981 1.00 0.00 N ATOM 0 H LYS A 112 -0.802 6.556 -14.304 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.299 6.704 -16.811 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.519 6.082 -15.951 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -0.043 5.448 -17.485 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.716 7.821 -18.113 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.092 8.365 -16.656 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.164 7.063 -17.539 1.00 0.00 H new ATOM 0 HD3 LYS A 112 1.317 7.003 -19.072 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.223 9.431 -19.202 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.827 9.596 -17.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 3.569 9.975 -19.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.923 8.591 -18.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.337 8.431 -19.853 1.00 0.00 H new ATOM 1770 N ASN A 113 -1.597 3.900 -15.225 1.00 0.00 N ATOM 1771 CA ASN A 113 -1.951 2.488 -15.127 1.00 0.00 C ATOM 1772 C ASN A 113 -2.387 2.134 -13.708 1.00 0.00 C ATOM 1773 O ASN A 113 -1.947 1.132 -13.145 1.00 0.00 O ATOM 1774 CB ASN A 113 -0.766 1.614 -15.541 1.00 0.00 C ATOM 1775 CG ASN A 113 0.497 1.949 -14.771 1.00 0.00 C ATOM 1776 OD1 ASN A 113 0.813 3.118 -14.553 1.00 0.00 O ATOM 1777 ND2 ASN A 113 1.226 0.920 -14.355 1.00 0.00 N ATOM 0 H ASN A 113 -0.974 4.231 -14.488 1.00 0.00 H new ATOM 0 HA ASN A 113 -2.786 2.300 -15.802 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -1.018 0.566 -15.381 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.581 1.739 -16.608 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.086 1.083 -13.832 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.926 -0.033 -14.559 1.00 0.00 H new ATOM 1784 N MET A 114 -3.254 2.963 -13.137 1.00 0.00 N ATOM 1785 CA MET A 114 -3.751 2.736 -11.785 1.00 0.00 C ATOM 1786 C MET A 114 -4.148 1.276 -11.589 1.00 0.00 C ATOM 1787 O MET A 114 -4.156 0.771 -10.467 1.00 0.00 O ATOM 1788 CB MET A 114 -4.948 3.645 -11.499 1.00 0.00 C ATOM 1789 CG MET A 114 -4.559 5.005 -10.942 1.00 0.00 C ATOM 1790 SD MET A 114 -5.820 5.696 -9.854 1.00 0.00 S ATOM 1791 CE MET A 114 -5.773 4.530 -8.496 1.00 0.00 C ATOM 0 H MET A 114 -3.627 3.798 -13.589 1.00 0.00 H new ATOM 0 HA MET A 114 -2.949 2.973 -11.086 1.00 0.00 H new ATOM 0 HB2 MET A 114 -5.514 3.787 -12.420 1.00 0.00 H new ATOM 0 HB3 MET A 114 -5.611 3.147 -10.791 1.00 0.00 H new ATOM 0 HG2 MET A 114 -3.621 4.914 -10.393 1.00 0.00 H new ATOM 0 HG3 MET A 114 -4.380 5.694 -11.768 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.789 4.237 -8.233 1.00 0.00 H new ATOM 0 HE2 MET A 114 -5.206 3.648 -8.793 1.00 0.00 H new ATOM 0 HE3 MET A 114 -5.295 4.995 -7.634 1.00 0.00 H new ATOM 1801 N ALA A 115 -4.476 0.605 -12.688 1.00 0.00 N ATOM 1802 CA ALA A 115 -4.872 -0.797 -12.636 1.00 0.00 C ATOM 1803 C ALA A 115 -3.895 -1.614 -11.798 1.00 0.00 C ATOM 1804 O ALA A 115 -4.225 -2.702 -11.327 1.00 0.00 O ATOM 1805 CB ALA A 115 -4.970 -1.370 -14.043 1.00 0.00 C ATOM 0 H ALA A 115 -4.475 1.009 -13.625 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.852 -0.854 -12.162 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.267 -2.418 -13.989 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -5.713 -0.811 -14.612 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.001 -1.292 -14.536 1.00 0.00 H new ATOM 1811 N CYS A 116 -2.691 -1.082 -11.616 1.00 0.00 N ATOM 1812 CA CYS A 116 -1.664 -1.762 -10.835 1.00 0.00 C ATOM 1813 C CYS A 116 -1.805 -1.437 -9.351 1.00 0.00 C ATOM 1814 O CYS A 116 -2.077 -2.317 -8.535 1.00 0.00 O ATOM 1815 CB CYS A 116 -0.272 -1.365 -11.327 1.00 0.00 C ATOM 1816 SG CYS A 116 0.382 -2.432 -12.632 1.00 0.00 S ATOM 0 H CYS A 116 -2.402 -0.182 -11.999 1.00 0.00 H new ATOM 0 HA CYS A 116 -1.794 -2.836 -10.967 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -0.307 -0.339 -11.695 1.00 0.00 H new ATOM 0 HB3 CYS A 116 0.417 -1.378 -10.483 1.00 0.00 H new ATOM 0 HG CYS A 116 1.562 -2.015 -12.983 1.00 0.00 H new ATOM 1822 N VAL A 117 -1.615 -0.166 -9.009 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.720 0.276 -7.624 1.00 0.00 C ATOM 1824 C VAL A 117 -3.054 -0.141 -7.013 1.00 0.00 C ATOM 1825 O VAL A 117 -3.173 -0.280 -5.797 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.571 1.805 -7.510 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.660 2.508 -8.306 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -1.603 2.235 -6.051 1.00 0.00 C ATOM 0 H VAL A 117 -1.388 0.575 -9.672 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.908 -0.203 -7.077 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.606 2.092 -7.929 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.539 3.587 -8.214 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.585 2.223 -9.355 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.637 2.218 -7.920 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.496 3.318 -5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.552 1.937 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -0.784 1.758 -5.513 1.00 0.00 H new ATOM 1838 N GLN A 118 -4.053 -0.338 -7.867 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.379 -0.738 -7.411 1.00 0.00 C ATOM 1840 C GLN A 118 -5.330 -2.098 -6.722 1.00 0.00 C ATOM 1841 O GLN A 118 -6.154 -2.397 -5.858 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.354 -0.785 -8.589 1.00 0.00 C ATOM 1843 CG GLN A 118 -7.025 0.548 -8.876 1.00 0.00 C ATOM 1844 CD GLN A 118 -7.654 1.164 -7.642 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -7.244 2.233 -7.189 1.00 0.00 O ATOM 1846 NE2 GLN A 118 -8.656 0.490 -7.089 1.00 0.00 N ATOM 0 H GLN A 118 -3.970 -0.227 -8.878 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.726 0.002 -6.690 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -5.819 -1.112 -9.480 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.121 -1.532 -8.386 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -6.289 1.239 -9.287 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.792 0.408 -9.638 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -8.964 -0.392 -7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -9.118 0.855 -6.256 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.358 -2.918 -7.110 1.00 0.00 N ATOM 1856 CA ARG A 119 -4.203 -4.246 -6.530 1.00 0.00 C ATOM 1857 C ARG A 119 -3.143 -4.240 -5.433 1.00 0.00 C ATOM 1858 O ARG A 119 -3.351 -4.787 -4.349 1.00 0.00 O ATOM 1859 CB ARG A 119 -3.824 -5.258 -7.614 1.00 0.00 C ATOM 1860 CG ARG A 119 -3.462 -6.629 -7.067 1.00 0.00 C ATOM 1861 CD ARG A 119 -3.292 -7.647 -8.185 1.00 0.00 C ATOM 1862 NE ARG A 119 -3.296 -9.018 -7.681 1.00 0.00 N ATOM 1863 CZ ARG A 119 -3.524 -10.080 -8.445 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -3.766 -9.930 -9.740 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -3.511 -11.296 -7.913 1.00 0.00 N ATOM 0 H ARG A 119 -3.667 -2.686 -7.823 1.00 0.00 H new ATOM 0 HA ARG A 119 -5.157 -4.536 -6.089 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.657 -5.362 -8.309 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.980 -4.869 -8.183 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.539 -6.561 -6.492 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -4.240 -6.966 -6.382 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -4.095 -7.525 -8.912 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -2.356 -7.456 -8.710 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.114 -9.168 -6.689 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -3.777 -8.997 -10.152 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -3.941 -10.748 -10.324 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.326 -11.415 -6.917 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -3.686 -12.111 -8.500 1.00 0.00 H new ATOM 1879 N THR A 120 -2.004 -3.618 -5.720 1.00 0.00 N ATOM 1880 CA THR A 120 -0.911 -3.542 -4.760 1.00 0.00 C ATOM 1881 C THR A 120 -1.435 -3.302 -3.348 1.00 0.00 C ATOM 1882 O THR A 120 -1.058 -4.003 -2.408 1.00 0.00 O ATOM 1883 CB THR A 120 0.081 -2.420 -5.124 1.00 0.00 C ATOM 1884 OG1 THR A 120 0.759 -2.743 -6.343 1.00 0.00 O ATOM 1885 CG2 THR A 120 1.097 -2.214 -4.012 1.00 0.00 C ATOM 0 H THR A 120 -1.815 -3.159 -6.611 1.00 0.00 H new ATOM 0 HA THR A 120 -0.393 -4.500 -4.795 1.00 0.00 H new ATOM 0 HB THR A 120 -0.482 -1.496 -5.255 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.369 -3.555 -6.729 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.786 -1.417 -4.292 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.580 -1.940 -3.093 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.655 -3.137 -3.853 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.305 -2.309 -3.206 1.00 0.00 N ATOM 1894 CA LEU A 121 -2.882 -1.977 -1.908 1.00 0.00 C ATOM 1895 C LEU A 121 -3.570 -3.191 -1.292 1.00 0.00 C ATOM 1896 O LEU A 121 -3.330 -3.530 -0.133 1.00 0.00 O ATOM 1897 CB LEU A 121 -3.882 -0.829 -2.051 1.00 0.00 C ATOM 1898 CG LEU A 121 -3.314 0.497 -2.559 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -4.383 1.578 -2.542 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -2.114 0.918 -1.724 1.00 0.00 C ATOM 0 H LEU A 121 -2.627 -1.719 -3.974 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.073 -1.666 -1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.674 -1.146 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.346 -0.654 -1.080 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.984 0.358 -3.589 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.960 2.514 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.212 1.280 -3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.745 1.716 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.723 1.863 -2.100 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.419 1.039 -0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.340 0.154 -1.789 1.00 0.00 H new ATOM 1912 N MET A 122 -4.423 -3.843 -2.075 1.00 0.00 N ATOM 1913 CA MET A 122 -5.142 -5.022 -1.607 1.00 0.00 C ATOM 1914 C MET A 122 -4.179 -6.050 -1.022 1.00 0.00 C ATOM 1915 O MET A 122 -4.365 -6.522 0.098 1.00 0.00 O ATOM 1916 CB MET A 122 -5.941 -5.647 -2.752 1.00 0.00 C ATOM 1917 CG MET A 122 -7.251 -4.931 -3.041 1.00 0.00 C ATOM 1918 SD MET A 122 -8.388 -4.973 -1.642 1.00 0.00 S ATOM 1919 CE MET A 122 -8.967 -6.665 -1.726 1.00 0.00 C ATOM 0 H MET A 122 -4.633 -3.575 -3.036 1.00 0.00 H new ATOM 0 HA MET A 122 -5.831 -4.709 -0.822 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.329 -5.646 -3.654 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.151 -6.689 -2.511 1.00 0.00 H new ATOM 0 HG2 MET A 122 -7.043 -3.894 -3.305 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.729 -5.390 -3.906 1.00 0.00 H new ATOM 0 HE1 MET A 122 -10.057 -6.678 -1.705 1.00 0.00 H new ATOM 0 HE2 MET A 122 -8.616 -7.124 -2.650 1.00 0.00 H new ATOM 0 HE3 MET A 122 -8.581 -7.224 -0.874 1.00 0.00 H new ATOM 1929 N ASN A 123 -3.149 -6.393 -1.790 1.00 0.00 N ATOM 1930 CA ASN A 123 -2.157 -7.366 -1.348 1.00 0.00 C ATOM 1931 C ASN A 123 -1.686 -7.057 0.070 1.00 0.00 C ATOM 1932 O ASN A 123 -1.538 -7.958 0.897 1.00 0.00 O ATOM 1933 CB ASN A 123 -0.962 -7.377 -2.303 1.00 0.00 C ATOM 1934 CG ASN A 123 -1.296 -8.014 -3.639 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -0.835 -7.396 -4.720 1.00 0.00 O flip ATOM 1936 ND2 ASN A 123 -1.959 -9.050 -3.697 1.00 0.00 N flip ATOM 0 H ASN A 123 -2.980 -6.011 -2.721 1.00 0.00 H new ATOM 0 HA ASN A 123 -2.624 -8.351 -1.350 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -0.621 -6.355 -2.466 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -0.136 -7.919 -1.841 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -2.293 -9.491 -2.840 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -2.174 -9.468 -4.602 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.453 -5.779 0.345 1.00 0.00 N ATOM 1944 CA LEU A 124 -1.000 -5.350 1.663 1.00 0.00 C ATOM 1945 C LEU A 124 -1.964 -5.816 2.749 1.00 0.00 C ATOM 1946 O LEU A 124 -1.546 -6.222 3.832 1.00 0.00 O ATOM 1947 CB LEU A 124 -0.863 -3.827 1.706 1.00 0.00 C ATOM 1948 CG LEU A 124 -0.004 -3.262 2.839 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.473 -3.458 2.537 1.00 0.00 C ATOM 1950 CD2 LEU A 124 -0.315 -1.789 3.060 1.00 0.00 C ATOM 0 H LEU A 124 -1.570 -5.021 -0.328 1.00 0.00 H new ATOM 0 HA LEU A 124 -0.026 -5.802 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.443 -3.493 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.861 -3.394 1.783 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.241 -3.804 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.069 -3.050 3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.684 -4.522 2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.726 -2.943 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.305 -1.404 3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.107 -1.232 2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.367 -1.675 3.323 1.00 0.00 H new ATOM 1962 N GLY A 125 -3.258 -5.756 2.450 1.00 0.00 N ATOM 1963 CA GLY A 125 -4.262 -6.177 3.410 1.00 0.00 C ATOM 1964 C GLY A 125 -4.260 -7.677 3.630 1.00 0.00 C ATOM 1965 O GLY A 125 -4.012 -8.149 4.739 1.00 0.00 O ATOM 0 H GLY A 125 -3.629 -5.423 1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.086 -5.673 4.360 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.247 -5.865 3.062 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.541 -8.430 2.570 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.568 -9.877 2.674 1.00 0.00 C ATOM 1971 C GLY A 126 -3.350 -10.430 3.387 1.00 0.00 C ATOM 1972 O GLY A 126 -3.441 -11.425 4.108 1.00 0.00 O ATOM 0 H GLY A 126 -4.750 -8.063 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.468 -10.183 3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.628 -10.309 1.675 1.00 0.00 H new ATOM 1976 N LEU A 127 -2.206 -9.785 3.187 1.00 0.00 N ATOM 1977 CA LEU A 127 -0.963 -10.219 3.816 1.00 0.00 C ATOM 1978 C LEU A 127 -0.974 -9.915 5.311 1.00 0.00 C ATOM 1979 O LEU A 127 -0.712 -10.792 6.134 1.00 0.00 O ATOM 1980 CB LEU A 127 0.233 -9.533 3.153 1.00 0.00 C ATOM 1981 CG LEU A 127 0.617 -10.046 1.765 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.274 -8.942 0.951 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.542 -11.250 1.879 1.00 0.00 C ATOM 0 H LEU A 127 -2.113 -8.960 2.595 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.875 -11.297 3.684 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.019 -8.467 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.097 -9.639 3.809 1.00 0.00 H new ATOM 0 HG LEU A 127 -0.291 -10.358 1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.541 -9.326 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.580 -8.109 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.173 -8.599 1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 127 1.805 -11.602 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.448 -10.964 2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.036 -12.047 2.423 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.280 -8.669 5.654 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.330 -8.251 7.050 1.00 0.00 C ATOM 1997 C ALA A 128 -2.242 -9.163 7.863 1.00 0.00 C ATOM 1998 O ALA A 128 -1.898 -9.571 8.973 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.797 -6.807 7.152 1.00 0.00 C ATOM 0 H ALA A 128 -1.497 -7.931 4.985 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.324 -8.325 7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.830 -6.508 8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.104 -6.162 6.612 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.792 -6.715 6.717 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.406 -9.478 7.305 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.368 -10.343 7.980 1.00 0.00 C ATOM 2007 C VAL A 129 -3.798 -11.741 8.189 1.00 0.00 C ATOM 2008 O VAL A 129 -4.286 -12.503 9.022 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.681 -10.450 7.183 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.708 -11.267 7.952 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.223 -9.065 6.860 1.00 0.00 C ATOM 0 H VAL A 129 -3.706 -9.148 6.388 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.576 -9.890 8.949 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.474 -10.962 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.629 -11.332 7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.318 -12.270 8.127 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.914 -10.786 8.908 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.151 -9.160 6.296 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.415 -8.524 7.787 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.492 -8.518 6.265 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.760 -12.071 7.427 1.00 0.00 N ATOM 2022 CA ALA A 130 -2.121 -13.377 7.531 1.00 0.00 C ATOM 2023 C ALA A 130 -1.001 -13.360 8.566 1.00 0.00 C ATOM 2024 O ALA A 130 -0.239 -14.319 8.686 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.582 -13.810 6.175 1.00 0.00 C ATOM 0 H ALA A 130 -2.344 -11.452 6.731 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.872 -14.096 7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -1.107 -14.787 6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.402 -13.871 5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.850 -13.082 5.825 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.907 -12.263 9.311 1.00 0.00 N ATOM 2032 CA ARG A 131 0.121 -12.121 10.334 1.00 0.00 C ATOM 2033 C ARG A 131 -0.459 -12.361 11.725 1.00 0.00 C ATOM 2034 O ARG A 131 -1.627 -12.723 11.867 1.00 0.00 O ATOM 2035 CB ARG A 131 0.749 -10.727 10.266 1.00 0.00 C ATOM 2036 CG ARG A 131 1.052 -10.264 8.850 1.00 0.00 C ATOM 2037 CD ARG A 131 2.367 -10.836 8.346 1.00 0.00 C ATOM 2038 NE ARG A 131 2.572 -12.212 8.791 1.00 0.00 N ATOM 2039 CZ ARG A 131 3.243 -12.537 9.890 1.00 0.00 C ATOM 2040 NH1 ARG A 131 3.771 -11.590 10.653 1.00 0.00 N ATOM 2041 NH2 ARG A 131 3.387 -13.812 10.229 1.00 0.00 N ATOM 0 H ARG A 131 -1.530 -11.460 9.225 1.00 0.00 H new ATOM 0 HA ARG A 131 0.891 -12.869 10.146 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.076 -10.011 10.737 1.00 0.00 H new ATOM 0 HB3 ARG A 131 1.672 -10.725 10.845 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.243 -10.568 8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 131 1.094 -9.175 8.823 1.00 0.00 H new ATOM 0 HD2 ARG A 131 2.384 -10.801 7.257 1.00 0.00 H new ATOM 0 HD3 ARG A 131 3.191 -10.215 8.697 1.00 0.00 H new ATOM 0 HE ARG A 131 2.178 -12.965 8.227 1.00 0.00 H new ATOM 0 HH11 ARG A 131 3.662 -10.609 10.397 1.00 0.00 H new ATOM 0 HH12 ARG A 131 4.286 -11.843 11.497 1.00 0.00 H new ATOM 0 HH21 ARG A 131 2.982 -14.544 9.645 1.00 0.00 H new ATOM 0 HH22 ARG A 131 3.903 -14.060 11.073 1.00 0.00 H new ATOM 2055 N ASP A 132 0.364 -12.157 12.747 1.00 0.00 N ATOM 2056 CA ASP A 132 -0.067 -12.351 14.127 1.00 0.00 C ATOM 2057 C ASP A 132 0.309 -11.149 14.988 1.00 0.00 C ATOM 2058 O ASP A 132 0.133 -11.166 16.206 1.00 0.00 O ATOM 2059 CB ASP A 132 0.556 -13.623 14.704 1.00 0.00 C ATOM 2060 CG ASP A 132 -0.247 -14.864 14.369 1.00 0.00 C ATOM 2061 OD1 ASP A 132 -1.421 -14.942 14.787 1.00 0.00 O ATOM 2062 OD2 ASP A 132 0.300 -15.759 13.690 1.00 0.00 O ATOM 0 H ASP A 132 1.334 -11.857 12.646 1.00 0.00 H new ATOM 0 HA ASP A 132 -1.152 -12.453 14.132 1.00 0.00 H new ATOM 0 HB2 ASP A 132 1.570 -13.735 14.319 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.635 -13.526 15.787 1.00 0.00 H new ATOM 2067 N ASP A 133 0.829 -10.108 14.347 1.00 0.00 N ATOM 2068 CA ASP A 133 1.230 -8.898 15.053 1.00 0.00 C ATOM 2069 C ASP A 133 0.042 -8.272 15.777 1.00 0.00 C ATOM 2070 O ASP A 133 0.196 -7.673 16.841 1.00 0.00 O ATOM 2071 CB ASP A 133 1.838 -7.889 14.077 1.00 0.00 C ATOM 2072 CG ASP A 133 3.080 -8.423 13.391 1.00 0.00 C ATOM 2073 OD1 ASP A 133 2.973 -9.447 12.685 1.00 0.00 O ATOM 2074 OD2 ASP A 133 4.159 -7.817 13.560 1.00 0.00 O ATOM 0 H ASP A 133 0.983 -10.078 13.339 1.00 0.00 H new ATOM 0 HA ASP A 133 1.981 -9.172 15.794 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.096 -7.624 13.324 1.00 0.00 H new ATOM 0 HB3 ASP A 133 2.088 -6.974 14.614 1.00 0.00 H new ATOM 2079 N GLY A 134 -1.143 -8.413 15.191 1.00 0.00 N ATOM 2080 CA GLY A 134 -2.340 -7.855 15.794 1.00 0.00 C ATOM 2081 C GLY A 134 -2.381 -6.343 15.707 1.00 0.00 C ATOM 2082 O GLY A 134 -2.878 -5.675 16.615 1.00 0.00 O ATOM 0 H GLY A 134 -1.296 -8.903 14.310 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -3.219 -8.268 15.299 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.391 -8.157 16.840 1.00 0.00 H new ATOM 2086 N LEU A 135 -1.858 -5.800 14.613 1.00 0.00 N ATOM 2087 CA LEU A 135 -1.835 -4.355 14.411 1.00 0.00 C ATOM 2088 C LEU A 135 -2.807 -3.945 13.309 1.00 0.00 C ATOM 2089 O LEU A 135 -3.367 -2.849 13.338 1.00 0.00 O ATOM 2090 CB LEU A 135 -0.421 -3.892 14.059 1.00 0.00 C ATOM 2091 CG LEU A 135 0.711 -4.502 14.886 1.00 0.00 C ATOM 2092 CD1 LEU A 135 2.052 -4.276 14.205 1.00 0.00 C ATOM 2093 CD2 LEU A 135 0.720 -3.918 16.292 1.00 0.00 C ATOM 0 H LEU A 135 -1.444 -6.338 13.852 1.00 0.00 H new ATOM 0 HA LEU A 135 -2.145 -3.877 15.340 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -0.238 -4.117 13.008 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -0.378 -2.808 14.165 1.00 0.00 H new ATOM 0 HG LEU A 135 0.541 -5.576 14.961 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.845 -4.717 14.808 1.00 0.00 H new ATOM 0 HD12 LEU A 135 2.043 -4.743 13.220 1.00 0.00 H new ATOM 0 HD13 LEU A 135 2.230 -3.206 14.098 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.532 -4.364 16.866 1.00 0.00 H new ATOM 0 HD22 LEU A 135 0.864 -2.839 16.237 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -0.230 -4.132 16.781 1.00 0.00 H new ATOM 2105 N PHE A 136 -3.003 -4.832 12.340 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.908 -4.562 11.229 1.00 0.00 C ATOM 2107 C PHE A 136 -5.282 -4.135 11.737 1.00 0.00 C ATOM 2108 O PHE A 136 -5.714 -4.550 12.812 1.00 0.00 O ATOM 2109 CB PHE A 136 -4.043 -5.801 10.341 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.367 -5.893 9.637 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.474 -6.420 10.281 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.504 -5.452 8.331 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.693 -6.506 9.636 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -6.720 -5.535 7.680 1.00 0.00 C ATOM 2115 CZ PHE A 136 -7.816 -6.062 8.334 1.00 0.00 C ATOM 0 H PHE A 136 -2.548 -5.744 12.301 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.488 -3.746 10.641 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.245 -5.794 9.598 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.903 -6.693 10.952 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.383 -6.768 11.299 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.650 -5.038 7.815 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.548 -6.920 10.149 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.813 -5.188 6.661 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.768 -6.127 7.828 1.00 0.00 H new ATOM 2125 N SER A 137 -5.963 -3.303 10.956 1.00 0.00 N ATOM 2126 CA SER A 137 -7.286 -2.815 11.328 1.00 0.00 C ATOM 2127 C SER A 137 -8.291 -3.060 10.207 1.00 0.00 C ATOM 2128 O SER A 137 -7.951 -3.622 9.166 1.00 0.00 O ATOM 2129 CB SER A 137 -7.228 -1.323 11.659 1.00 0.00 C ATOM 2130 OG SER A 137 -8.206 -0.976 12.624 1.00 0.00 O ATOM 0 H SER A 137 -5.621 -2.953 10.061 1.00 0.00 H new ATOM 0 HA SER A 137 -7.613 -3.364 12.211 1.00 0.00 H new ATOM 0 HB2 SER A 137 -6.237 -1.069 12.034 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.385 -0.740 10.752 1.00 0.00 H new ATOM 0 HG SER A 137 -8.147 -0.018 12.820 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.531 -2.634 10.428 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.567 -2.816 9.428 1.00 0.00 C ATOM 2138 C GLY A 138 -11.117 -4.229 9.414 1.00 0.00 C ATOM 2139 O GLY A 138 -10.653 -5.091 10.161 1.00 0.00 O ATOM 0 H GLY A 138 -9.836 -2.166 11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.379 -2.115 9.619 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -10.164 -2.576 8.444 1.00 0.00 H new ATOM 2143 N ASP A 139 -12.109 -4.467 8.563 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.724 -5.785 8.455 1.00 0.00 C ATOM 2145 C ASP A 139 -11.754 -6.787 7.837 1.00 0.00 C ATOM 2146 O ASP A 139 -11.156 -6.544 6.788 1.00 0.00 O ATOM 2147 CB ASP A 139 -14.001 -5.708 7.616 1.00 0.00 C ATOM 2148 CG ASP A 139 -15.187 -5.205 8.414 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -15.710 -5.972 9.250 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -15.593 -4.043 8.204 1.00 0.00 O ATOM 0 H ASP A 139 -12.504 -3.765 7.938 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.978 -6.124 9.459 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -13.834 -5.049 6.764 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -14.229 -6.695 7.215 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.593 -7.941 8.500 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.696 -9.004 8.035 1.00 0.00 C ATOM 2157 C PRO A 140 -11.214 -9.688 6.774 1.00 0.00 C ATOM 2158 O PRO A 140 -10.480 -10.415 6.106 1.00 0.00 O ATOM 2159 CB PRO A 140 -10.674 -9.988 9.207 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.965 -9.761 9.916 1.00 0.00 C ATOM 2161 CD PRO A 140 -12.274 -8.299 9.756 1.00 0.00 C ATOM 0 HA PRO A 140 -9.712 -8.619 7.766 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.589 -11.017 8.858 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.824 -9.803 9.864 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -12.758 -10.376 9.490 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -11.884 -10.030 10.969 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -13.347 -8.120 9.696 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.899 -7.715 10.597 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.482 -9.449 6.455 1.00 0.00 N ATOM 2170 CA ASN A 141 -13.097 -10.043 5.274 1.00 0.00 C ATOM 2171 C ASN A 141 -12.616 -9.350 4.003 1.00 0.00 C ATOM 2172 O ASN A 141 -12.287 -10.004 3.013 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.622 -9.957 5.369 1.00 0.00 C ATOM 2174 CG ASN A 141 -15.212 -11.066 6.219 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -16.009 -11.872 5.740 1.00 0.00 O ATOM 2176 ND2 ASN A 141 -14.821 -11.111 7.487 1.00 0.00 N ATOM 0 H ASN A 141 -13.103 -8.849 6.998 1.00 0.00 H new ATOM 0 HA ASN A 141 -12.801 -11.091 5.230 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.903 -8.992 5.790 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -15.049 -10.004 4.367 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -15.184 -11.835 8.107 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -14.158 -10.421 7.841 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.577 -8.023 4.038 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.135 -7.240 2.890 1.00 0.00 C ATOM 2185 C TRP A 142 -11.018 -7.957 2.140 1.00 0.00 C ATOM 2186 O TRP A 142 -10.922 -7.869 0.916 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.658 -5.859 3.341 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.770 -4.974 3.819 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -14.085 -5.042 3.457 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.662 -3.887 4.745 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.801 -4.063 4.103 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -13.952 -3.342 4.899 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.602 -3.324 5.461 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -14.206 -2.261 5.738 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.857 -2.250 6.293 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -13.150 -1.728 6.427 1.00 0.00 C ATOM 0 H TRP A 142 -12.846 -7.466 4.849 1.00 0.00 H new ATOM 0 HA TRP A 142 -12.983 -7.121 2.215 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -10.928 -5.978 4.142 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -11.145 -5.371 2.512 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.501 -5.759 2.765 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.803 -3.900 4.005 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.602 -3.721 5.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -15.202 -1.857 5.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -11.045 -1.806 6.850 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -13.317 -0.889 7.086 1.00 0.00 H new ATOM 2207 N PHE A 143 -10.174 -8.668 2.881 1.00 0.00 N ATOM 2208 CA PHE A 143 -9.063 -9.400 2.286 1.00 0.00 C ATOM 2209 C PHE A 143 -9.039 -10.845 2.775 1.00 0.00 C ATOM 2210 O PHE A 143 -9.304 -11.137 3.941 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.736 -8.715 2.619 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.824 -7.216 2.641 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -8.309 -6.553 3.757 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -7.423 -6.469 1.545 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -8.391 -5.173 3.780 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -7.503 -5.089 1.562 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.988 -4.441 2.681 1.00 0.00 C ATOM 0 H PHE A 143 -10.239 -8.752 3.895 1.00 0.00 H new ATOM 0 HA PHE A 143 -9.201 -9.403 1.205 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.390 -9.065 3.592 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -6.987 -9.016 1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -8.627 -7.121 4.619 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -7.043 -6.971 0.667 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -8.770 -4.668 4.656 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -7.187 -4.518 0.701 1.00 0.00 H new ATOM 0 HZ PHE A 143 -8.052 -3.363 2.696 1.00 0.00 H new ATOM 2227 N PRO A 144 -8.714 -11.773 1.862 1.00 0.00 N ATOM 2228 CA PRO A 144 -8.648 -13.203 2.176 1.00 0.00 C ATOM 2229 C PRO A 144 -7.471 -13.543 3.084 1.00 0.00 C ATOM 2230 O PRO A 144 -6.726 -12.661 3.509 1.00 0.00 O ATOM 2231 CB PRO A 144 -8.472 -13.860 0.804 1.00 0.00 C ATOM 2232 CG PRO A 144 -7.840 -12.808 -0.041 1.00 0.00 C ATOM 2233 CD PRO A 144 -8.386 -11.497 0.453 1.00 0.00 C ATOM 0 HA PRO A 144 -9.532 -13.543 2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -7.843 -14.748 0.868 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -9.430 -14.177 0.391 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -6.754 -12.837 0.047 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -8.078 -12.958 -1.094 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -7.653 -10.696 0.361 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -9.266 -11.190 -0.112 1.00 0.00 H new