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 113 ASN : amide:sc= 0.00154 K(o=-0.56,f=-3.5!) USER MOD Set 1.2: A 116 CYS SG : rot 169:sc= -0.562 USER MOD Set 2.1: A 98 ASN : amide:sc= -0.1 K(o=-0.1,f=-1.9!) USER MOD Set 2.2: A 100 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 55 CYS SG : rot 58:sc= -0.595 USER MOD Set 3.2: A 84 GLN : amide:sc= -0.0589 K(o=-0.65,f=-1.8!) USER MOD Set 4.1: A 49 LYS NZ :NH3+ -166:sc= 0.507 (180deg=0) USER MOD Set 4.2: A 81 GLN : amide:sc= -0.227 K(o=0.28,f=-7.8!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 27 THR OG1 : rot -82:sc= 0.381 USER MOD Single : A 28 THR OG1 : rot 83:sc= 0.171 USER MOD Single : A 29 GLN : amide:sc= 0.779 K(o=0.78,f=-8.2!) USER MOD Single : A 30 CYS SG : rot 87:sc= -0.329 USER MOD Single : A 32 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0327) USER MOD Single : A 38 GLN : amide:sc= -0.0185 K(o=-0.018,f=-0.8) USER MOD Single : A 43 ASN : amide:sc= -4.4! C(o=-4.4!,f=-7.9!) USER MOD Single : A 45 GLN :FLIP amide:sc= -4.97! C(o=-7.6!,f=-5!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -9.03! C(o=-9!,f=-13!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -2.35 X(o=-2.4,f=-2.2) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc=-0.00916 K(o=-0.0092,f=-0.6) USER MOD Single : A 75 SER OG : rot -150:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl -128:sc= -4.67! (180deg=-9.76!) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN :FLIP amide:sc= -0.234 F(o=-0.79,f=-0.23) USER MOD Single : A 95 TYR OH : rot -80:sc= -1.37 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.452 X(o=-0.45,f=-0.55) 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 114 MET CE :methyl 164:sc= -1.17 (180deg=-2.68!) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.786 F(o=-2.5,f=-0.79) USER MOD Single : A 120 THR OG1 : rot -26:sc= -0.814 USER MOD Single : A 122 MET CE :methyl -127:sc= -1.91 (180deg=-5.67!) USER MOD Single : A 123 ASN : amide:sc= -0.396 X(o=-0.4,f=-0.64) USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD Single : A 141 ASN : amide:sc= 0.181 X(o=0.18,f=0) USER MOD ----------------------------------------------------------------- ATOM 221 N ASP A 17 -15.568 -2.654 -6.663 1.00 0.00 N ATOM 222 CA ASP A 17 -15.724 -3.291 -5.360 1.00 0.00 C ATOM 223 C ASP A 17 -14.460 -3.128 -4.521 1.00 0.00 C ATOM 224 O ASP A 17 -14.518 -2.695 -3.369 1.00 0.00 O ATOM 225 CB ASP A 17 -16.050 -4.775 -5.530 1.00 0.00 C ATOM 226 CG ASP A 17 -17.392 -5.001 -6.198 1.00 0.00 C ATOM 227 OD1 ASP A 17 -18.423 -4.928 -5.498 1.00 0.00 O ATOM 228 OD2 ASP A 17 -17.411 -5.250 -7.422 1.00 0.00 O ATOM 0 HA ASP A 17 -16.549 -2.803 -4.841 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -15.268 -5.250 -6.123 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -16.048 -5.259 -4.553 1.00 0.00 H new ATOM 233 N LEU A 18 -13.319 -3.478 -5.105 1.00 0.00 N ATOM 234 CA LEU A 18 -12.040 -3.371 -4.411 1.00 0.00 C ATOM 235 C LEU A 18 -11.747 -1.924 -4.030 1.00 0.00 C ATOM 236 O LEU A 18 -11.055 -1.660 -3.047 1.00 0.00 O ATOM 237 CB LEU A 18 -10.914 -3.918 -5.290 1.00 0.00 C ATOM 238 CG LEU A 18 -11.016 -5.396 -5.669 1.00 0.00 C ATOM 239 CD1 LEU A 18 -9.984 -5.747 -6.730 1.00 0.00 C ATOM 240 CD2 LEU A 18 -10.840 -6.276 -4.440 1.00 0.00 C ATOM 0 H LEU A 18 -13.253 -3.838 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.099 -3.962 -3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.878 -3.330 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.967 -3.761 -4.773 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.008 -5.578 -6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.071 -6.803 -6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.156 -5.141 -7.620 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -8.984 -5.549 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.916 -7.324 -4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.861 -6.091 -3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.617 -6.044 -3.712 1.00 0.00 H new ATOM 252 N GLU A 19 -12.279 -0.991 -4.814 1.00 0.00 N ATOM 253 CA GLU A 19 -12.074 0.429 -4.556 1.00 0.00 C ATOM 254 C GLU A 19 -12.767 0.854 -3.265 1.00 0.00 C ATOM 255 O GLU A 19 -12.126 1.355 -2.341 1.00 0.00 O ATOM 256 CB GLU A 19 -12.598 1.263 -5.727 1.00 0.00 C ATOM 257 CG GLU A 19 -12.231 2.735 -5.639 1.00 0.00 C ATOM 258 CD GLU A 19 -10.869 3.033 -6.235 1.00 0.00 C ATOM 259 OE1 GLU A 19 -10.489 2.355 -7.213 1.00 0.00 O ATOM 260 OE2 GLU A 19 -10.183 3.943 -5.724 1.00 0.00 O ATOM 0 H GLU A 19 -12.854 -1.193 -5.632 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.003 0.601 -4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.205 0.854 -6.658 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -13.683 1.170 -5.771 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.987 3.326 -6.156 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.243 3.047 -4.595 1.00 0.00 H new ATOM 267 N GLN A 20 -14.079 0.649 -3.210 1.00 0.00 N ATOM 268 CA GLN A 20 -14.859 1.012 -2.032 1.00 0.00 C ATOM 269 C GLN A 20 -14.225 0.449 -0.764 1.00 0.00 C ATOM 270 O GLN A 20 -14.171 1.122 0.265 1.00 0.00 O ATOM 271 CB GLN A 20 -16.295 0.502 -2.169 1.00 0.00 C ATOM 272 CG GLN A 20 -16.385 -0.967 -2.549 1.00 0.00 C ATOM 273 CD GLN A 20 -17.789 -1.521 -2.411 1.00 0.00 C ATOM 274 OE1 GLN A 20 -18.128 -2.142 -1.403 1.00 0.00 O ATOM 275 NE2 GLN A 20 -18.616 -1.298 -3.425 1.00 0.00 N ATOM 0 H GLN A 20 -14.624 0.234 -3.966 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.872 2.099 -1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.819 0.657 -1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.812 1.096 -2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.048 -1.093 -3.578 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.708 -1.543 -1.919 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -18.293 -0.779 -4.241 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -19.574 -1.646 -3.388 1.00 0.00 H new ATOM 284 N ILE A 21 -13.747 -0.788 -0.847 1.00 0.00 N ATOM 285 CA ILE A 21 -13.116 -1.440 0.294 1.00 0.00 C ATOM 286 C ILE A 21 -11.771 -0.801 0.618 1.00 0.00 C ATOM 287 O ILE A 21 -11.495 -0.458 1.768 1.00 0.00 O ATOM 288 CB ILE A 21 -12.909 -2.945 0.038 1.00 0.00 C ATOM 289 CG1 ILE A 21 -14.257 -3.642 -0.153 1.00 0.00 C ATOM 290 CG2 ILE A 21 -12.138 -3.576 1.187 1.00 0.00 C ATOM 291 CD1 ILE A 21 -14.139 -5.046 -0.704 1.00 0.00 C ATOM 0 H ILE A 21 -13.785 -1.358 -1.692 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.789 -1.313 1.142 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.326 -3.067 -0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -14.777 -3.679 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -14.872 -3.046 -0.827 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.000 -4.639 0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -11.165 -3.094 1.280 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -12.696 -3.447 2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -15.133 -5.479 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -13.648 -5.015 -1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -13.551 -5.657 -0.020 1.00 0.00 H new ATOM 303 N LEU A 22 -10.936 -0.642 -0.404 1.00 0.00 N ATOM 304 CA LEU A 22 -9.619 -0.041 -0.229 1.00 0.00 C ATOM 305 C LEU A 22 -9.723 1.301 0.490 1.00 0.00 C ATOM 306 O LEU A 22 -9.093 1.511 1.527 1.00 0.00 O ATOM 307 CB LEU A 22 -8.937 0.146 -1.586 1.00 0.00 C ATOM 308 CG LEU A 22 -8.134 -1.047 -2.103 1.00 0.00 C ATOM 309 CD1 LEU A 22 -7.795 -0.865 -3.575 1.00 0.00 C ATOM 310 CD2 LEU A 22 -6.867 -1.234 -1.282 1.00 0.00 C ATOM 0 H LEU A 22 -11.148 -0.921 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.019 -0.714 0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.701 0.391 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.270 1.006 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.745 -1.943 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.223 -1.724 -3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.716 -0.782 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.203 0.041 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.308 -2.088 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.252 -0.337 -1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.132 -1.411 -0.240 1.00 0.00 H new ATOM 322 N ILE A 23 -10.523 2.204 -0.067 1.00 0.00 N ATOM 323 CA ILE A 23 -10.712 3.523 0.523 1.00 0.00 C ATOM 324 C ILE A 23 -11.125 3.417 1.987 1.00 0.00 C ATOM 325 O ILE A 23 -10.659 4.182 2.830 1.00 0.00 O ATOM 326 CB ILE A 23 -11.774 4.335 -0.242 1.00 0.00 C ATOM 327 CG1 ILE A 23 -11.381 4.472 -1.714 1.00 0.00 C ATOM 328 CG2 ILE A 23 -11.953 5.705 0.395 1.00 0.00 C ATOM 329 CD1 ILE A 23 -12.533 4.860 -2.614 1.00 0.00 C ATOM 0 H ILE A 23 -11.050 2.046 -0.926 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.754 4.039 0.455 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.724 3.804 -0.188 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.593 5.220 -1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.963 3.526 -2.060 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.707 6.267 -0.157 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -12.274 5.586 1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.006 6.245 0.369 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.181 4.939 -3.642 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.313 4.101 -2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.937 5.821 -2.294 1.00 0.00 H new ATOM 341 N GLN A 24 -12.002 2.462 2.280 1.00 0.00 N ATOM 342 CA GLN A 24 -12.477 2.255 3.643 1.00 0.00 C ATOM 343 C GLN A 24 -11.347 1.773 4.547 1.00 0.00 C ATOM 344 O GLN A 24 -11.169 2.274 5.656 1.00 0.00 O ATOM 345 CB GLN A 24 -13.624 1.243 3.658 1.00 0.00 C ATOM 346 CG GLN A 24 -14.976 1.852 3.321 1.00 0.00 C ATOM 347 CD GLN A 24 -16.114 0.860 3.462 1.00 0.00 C ATOM 348 OE1 GLN A 24 -17.039 1.065 4.248 1.00 0.00 O ATOM 349 NE2 GLN A 24 -16.052 -0.224 2.697 1.00 0.00 N ATOM 0 H GLN A 24 -12.397 1.820 1.593 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.839 3.210 4.023 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.405 0.448 2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.678 0.782 4.644 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -15.159 2.705 3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -14.955 2.232 2.300 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.267 -0.354 2.059 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -16.790 -0.927 2.747 1.00 0.00 H new ATOM 358 N TRP A 25 -10.586 0.797 4.064 1.00 0.00 N ATOM 359 CA TRP A 25 -9.473 0.246 4.829 1.00 0.00 C ATOM 360 C TRP A 25 -8.402 1.304 5.069 1.00 0.00 C ATOM 361 O TRP A 25 -8.088 1.634 6.214 1.00 0.00 O ATOM 362 CB TRP A 25 -8.867 -0.952 4.096 1.00 0.00 C ATOM 363 CG TRP A 25 -7.630 -1.486 4.752 1.00 0.00 C ATOM 364 CD1 TRP A 25 -7.506 -1.913 6.043 1.00 0.00 C ATOM 365 CD2 TRP A 25 -6.342 -1.648 4.148 1.00 0.00 C ATOM 366 NE1 TRP A 25 -6.218 -2.330 6.279 1.00 0.00 N ATOM 367 CE2 TRP A 25 -5.484 -2.178 5.132 1.00 0.00 C ATOM 368 CE3 TRP A 25 -5.830 -1.398 2.872 1.00 0.00 C ATOM 369 CZ2 TRP A 25 -4.145 -2.461 4.877 1.00 0.00 C ATOM 370 CZ3 TRP A 25 -4.500 -1.679 2.621 1.00 0.00 C ATOM 371 CH2 TRP A 25 -3.670 -2.207 3.619 1.00 0.00 C ATOM 0 H TRP A 25 -10.719 0.371 3.147 1.00 0.00 H new ATOM 0 HA TRP A 25 -9.856 -0.083 5.795 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -9.610 -1.747 4.037 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -8.630 -0.661 3.073 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.303 -1.922 6.772 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -5.866 -2.694 7.164 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -6.462 -0.993 2.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -3.503 -2.867 5.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -4.094 -1.488 1.639 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.636 -2.418 3.391 1.00 0.00 H new ATOM 382 N ILE A 26 -7.845 1.834 3.985 1.00 0.00 N ATOM 383 CA ILE A 26 -6.810 2.856 4.080 1.00 0.00 C ATOM 384 C ILE A 26 -7.129 3.860 5.182 1.00 0.00 C ATOM 385 O ILE A 26 -6.315 4.100 6.074 1.00 0.00 O ATOM 386 CB ILE A 26 -6.639 3.609 2.748 1.00 0.00 C ATOM 387 CG1 ILE A 26 -6.251 2.636 1.633 1.00 0.00 C ATOM 388 CG2 ILE A 26 -5.593 4.705 2.890 1.00 0.00 C ATOM 389 CD1 ILE A 26 -6.610 3.129 0.249 1.00 0.00 C ATOM 0 H ILE A 26 -8.093 1.572 3.031 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.879 2.342 4.319 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.590 4.073 2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.177 2.454 1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.744 1.680 1.808 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.483 5.228 1.940 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.907 5.411 3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.638 4.262 3.173 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.306 2.389 -0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.687 3.284 0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.096 4.070 0.053 1.00 0.00 H new ATOM 401 N THR A 27 -8.321 4.445 5.116 1.00 0.00 N ATOM 402 CA THR A 27 -8.749 5.423 6.108 1.00 0.00 C ATOM 403 C THR A 27 -8.720 4.831 7.512 1.00 0.00 C ATOM 404 O THR A 27 -8.131 5.405 8.428 1.00 0.00 O ATOM 405 CB THR A 27 -10.169 5.941 5.810 1.00 0.00 C ATOM 406 OG1 THR A 27 -11.051 4.839 5.569 1.00 0.00 O ATOM 407 CG2 THR A 27 -10.165 6.867 4.604 1.00 0.00 C ATOM 0 H THR A 27 -9.007 4.258 4.385 1.00 0.00 H new ATOM 0 HA THR A 27 -8.048 6.256 6.054 1.00 0.00 H new ATOM 0 HB THR A 27 -10.517 6.502 6.677 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.960 4.545 4.639 1.00 0.00 H new ATOM 0 HG21 THR A 27 -11.178 7.220 4.413 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.515 7.719 4.802 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.799 6.326 3.731 1.00 0.00 H new ATOM 415 N THR A 28 -9.361 3.677 7.676 1.00 0.00 N ATOM 416 CA THR A 28 -9.409 3.007 8.969 1.00 0.00 C ATOM 417 C THR A 28 -8.006 2.712 9.488 1.00 0.00 C ATOM 418 O THR A 28 -7.579 3.268 10.499 1.00 0.00 O ATOM 419 CB THR A 28 -10.203 1.690 8.890 1.00 0.00 C ATOM 420 OG1 THR A 28 -11.594 1.967 8.693 1.00 0.00 O ATOM 421 CG2 THR A 28 -10.019 0.870 10.158 1.00 0.00 C ATOM 0 H THR A 28 -9.854 3.188 6.929 1.00 0.00 H new ATOM 0 HA THR A 28 -9.913 3.685 9.658 1.00 0.00 H new ATOM 0 HB THR A 28 -9.825 1.114 8.046 1.00 0.00 H new ATOM 0 HG1 THR A 28 -11.765 2.120 7.740 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.589 -0.056 10.079 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.963 0.635 10.289 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.373 1.442 11.016 1.00 0.00 H new ATOM 429 N GLN A 29 -7.295 1.833 8.789 1.00 0.00 N ATOM 430 CA GLN A 29 -5.939 1.465 9.180 1.00 0.00 C ATOM 431 C GLN A 29 -5.159 2.685 9.658 1.00 0.00 C ATOM 432 O GLN A 29 -4.480 2.637 10.684 1.00 0.00 O ATOM 433 CB GLN A 29 -5.209 0.804 8.009 1.00 0.00 C ATOM 434 CG GLN A 29 -3.900 0.140 8.405 1.00 0.00 C ATOM 435 CD GLN A 29 -4.108 -1.103 9.248 1.00 0.00 C ATOM 436 OE1 GLN A 29 -4.924 -1.963 8.915 1.00 0.00 O ATOM 437 NE2 GLN A 29 -3.370 -1.203 10.347 1.00 0.00 N ATOM 0 H GLN A 29 -7.635 1.363 7.950 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.006 0.755 10.004 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.863 0.058 7.558 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.009 1.556 7.245 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.344 -0.125 7.505 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.289 0.852 8.959 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.706 -0.466 10.584 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.467 -2.017 10.954 1.00 0.00 H new ATOM 446 N CYS A 30 -5.262 3.777 8.908 1.00 0.00 N ATOM 447 CA CYS A 30 -4.565 5.010 9.254 1.00 0.00 C ATOM 448 C CYS A 30 -5.125 5.608 10.541 1.00 0.00 C ATOM 449 O CYS A 30 -6.265 6.071 10.577 1.00 0.00 O ATOM 450 CB CYS A 30 -4.681 6.023 8.114 1.00 0.00 C ATOM 451 SG CYS A 30 -3.920 5.482 6.565 1.00 0.00 S ATOM 0 H CYS A 30 -5.821 3.833 8.057 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.513 4.772 9.413 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.735 6.233 7.934 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.218 6.959 8.426 1.00 0.00 H new ATOM 0 HG CYS A 30 -4.781 4.794 5.876 1.00 0.00 H new ATOM 457 N ARG A 31 -4.315 5.594 11.595 1.00 0.00 N ATOM 458 CA ARG A 31 -4.731 6.132 12.884 1.00 0.00 C ATOM 459 C ARG A 31 -5.384 7.501 12.717 1.00 0.00 C ATOM 460 O ARG A 31 -6.538 7.701 13.097 1.00 0.00 O ATOM 461 CB ARG A 31 -3.530 6.240 13.827 1.00 0.00 C ATOM 462 CG ARG A 31 -3.214 4.947 14.561 1.00 0.00 C ATOM 463 CD ARG A 31 -1.839 4.996 15.209 1.00 0.00 C ATOM 464 NE ARG A 31 -1.561 3.796 15.993 1.00 0.00 N ATOM 465 CZ ARG A 31 -1.220 2.630 15.456 1.00 0.00 C ATOM 466 NH1 ARG A 31 -1.116 2.507 14.140 1.00 0.00 N ATOM 467 NH2 ARG A 31 -0.982 1.583 16.236 1.00 0.00 N ATOM 0 H ARG A 31 -3.368 5.216 11.581 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.463 5.449 13.315 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.655 6.546 13.254 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.722 7.025 14.558 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.971 4.766 15.324 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.259 4.111 13.863 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.078 5.109 14.437 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.773 5.873 15.853 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.633 3.856 17.009 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.298 3.309 13.537 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.854 1.610 13.731 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.061 1.673 17.249 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.720 0.688 15.823 1.00 0.00 H new ATOM 481 N LYS A 32 -4.639 8.441 12.147 1.00 0.00 N ATOM 482 CA LYS A 32 -5.144 9.791 11.928 1.00 0.00 C ATOM 483 C LYS A 32 -5.929 9.873 10.623 1.00 0.00 C ATOM 484 O LYS A 32 -5.684 9.107 9.690 1.00 0.00 O ATOM 485 CB LYS A 32 -3.988 10.793 11.904 1.00 0.00 C ATOM 486 CG LYS A 32 -3.160 10.736 10.631 1.00 0.00 C ATOM 487 CD LYS A 32 -3.698 11.686 9.574 1.00 0.00 C ATOM 488 CE LYS A 32 -3.302 13.126 9.866 1.00 0.00 C ATOM 489 NZ LYS A 32 -1.874 13.387 9.536 1.00 0.00 N ATOM 0 H LYS A 32 -3.682 8.293 11.828 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.814 10.039 12.751 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.388 11.800 12.022 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -3.338 10.606 12.759 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.125 10.991 10.857 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.160 9.718 10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.319 11.395 8.594 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.784 11.608 9.532 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.937 13.801 9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.477 13.344 10.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.675 14.403 9.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.264 12.849 10.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.684 13.092 8.557 1.00 0.00 H new ATOM 503 N ASP A 33 -6.872 10.807 10.563 1.00 0.00 N ATOM 504 CA ASP A 33 -7.692 10.990 9.370 1.00 0.00 C ATOM 505 C ASP A 33 -6.972 11.862 8.346 1.00 0.00 C ATOM 506 O ASP A 33 -6.927 13.085 8.477 1.00 0.00 O ATOM 507 CB ASP A 33 -9.035 11.621 9.741 1.00 0.00 C ATOM 508 CG ASP A 33 -9.722 10.893 10.880 1.00 0.00 C ATOM 509 OD1 ASP A 33 -10.326 9.830 10.625 1.00 0.00 O ATOM 510 OD2 ASP A 33 -9.656 11.386 12.025 1.00 0.00 O ATOM 0 H ASP A 33 -7.088 11.449 11.326 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.870 10.010 8.926 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.879 12.663 10.021 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.687 11.620 8.868 1.00 0.00 H new ATOM 515 N VAL A 34 -6.409 11.223 7.325 1.00 0.00 N ATOM 516 CA VAL A 34 -5.691 11.940 6.277 1.00 0.00 C ATOM 517 C VAL A 34 -6.627 12.857 5.498 1.00 0.00 C ATOM 518 O VAL A 34 -6.209 13.888 4.973 1.00 0.00 O ATOM 519 CB VAL A 34 -5.010 10.967 5.297 1.00 0.00 C ATOM 520 CG1 VAL A 34 -3.901 10.194 5.996 1.00 0.00 C ATOM 521 CG2 VAL A 34 -6.033 10.018 4.692 1.00 0.00 C ATOM 0 H VAL A 34 -6.436 10.211 7.201 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.927 12.541 6.771 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.563 11.546 4.489 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.431 9.511 5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.155 10.892 6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.321 9.624 6.825 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.534 9.337 4.002 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.511 9.444 5.486 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.788 10.592 4.154 1.00 0.00 H new ATOM 531 N GLY A 35 -7.898 12.473 5.426 1.00 0.00 N ATOM 532 CA GLY A 35 -8.875 13.272 4.709 1.00 0.00 C ATOM 533 C GLY A 35 -9.713 12.444 3.756 1.00 0.00 C ATOM 534 O GLY A 35 -9.728 12.698 2.551 1.00 0.00 O ATOM 0 H GLY A 35 -8.268 11.623 5.851 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.529 13.769 5.425 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.361 14.054 4.150 1.00 0.00 H new ATOM 538 N ARG A 36 -10.412 11.450 4.295 1.00 0.00 N ATOM 539 CA ARG A 36 -11.254 10.580 3.483 1.00 0.00 C ATOM 540 C ARG A 36 -11.957 11.374 2.386 1.00 0.00 C ATOM 541 O ARG A 36 -12.968 12.037 2.616 1.00 0.00 O ATOM 542 CB ARG A 36 -12.290 9.874 4.360 1.00 0.00 C ATOM 543 CG ARG A 36 -13.095 8.818 3.621 1.00 0.00 C ATOM 544 CD ARG A 36 -14.271 8.330 4.453 1.00 0.00 C ATOM 545 NE ARG A 36 -13.908 7.198 5.301 1.00 0.00 N ATOM 546 CZ ARG A 36 -13.350 7.326 6.500 1.00 0.00 C ATOM 547 NH1 ARG A 36 -13.092 8.531 6.989 1.00 0.00 N ATOM 548 NH2 ARG A 36 -13.050 6.247 7.212 1.00 0.00 N ATOM 0 H ARG A 36 -10.412 11.227 5.290 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.615 9.832 3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.782 9.407 5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.973 10.618 4.771 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.460 9.230 2.680 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.450 7.976 3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.638 9.146 5.075 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.088 8.041 3.792 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.093 6.257 4.954 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.322 9.362 6.445 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.664 8.627 7.910 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.248 5.319 6.839 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.622 6.346 8.132 1.00 0.00 H new ATOM 562 N PRO A 37 -11.410 11.306 1.163 1.00 0.00 N ATOM 563 CA PRO A 37 -11.969 12.012 0.006 1.00 0.00 C ATOM 564 C PRO A 37 -13.298 11.419 -0.449 1.00 0.00 C ATOM 565 O PRO A 37 -13.820 10.495 0.173 1.00 0.00 O ATOM 566 CB PRO A 37 -10.901 11.822 -1.075 1.00 0.00 C ATOM 567 CG PRO A 37 -10.189 10.572 -0.688 1.00 0.00 C ATOM 568 CD PRO A 37 -10.205 10.534 0.815 1.00 0.00 C ATOM 0 HA PRO A 37 -12.186 13.056 0.232 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.350 11.732 -2.064 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.219 12.671 -1.111 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.684 9.696 -1.106 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.167 10.572 -1.067 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.260 9.512 1.191 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.305 10.981 1.238 1.00 0.00 H new ATOM 576 N GLN A 38 -13.839 11.957 -1.537 1.00 0.00 N ATOM 577 CA GLN A 38 -15.108 11.480 -2.074 1.00 0.00 C ATOM 578 C GLN A 38 -14.908 10.216 -2.904 1.00 0.00 C ATOM 579 O GLN A 38 -13.916 10.063 -3.617 1.00 0.00 O ATOM 580 CB GLN A 38 -15.765 12.566 -2.928 1.00 0.00 C ATOM 581 CG GLN A 38 -15.194 12.663 -4.333 1.00 0.00 C ATOM 582 CD GLN A 38 -15.273 14.067 -4.899 1.00 0.00 C ATOM 583 OE1 GLN A 38 -16.045 14.899 -4.422 1.00 0.00 O ATOM 584 NE2 GLN A 38 -14.473 14.339 -5.924 1.00 0.00 N ATOM 0 H GLN A 38 -13.419 12.723 -2.064 1.00 0.00 H new ATOM 0 HA GLN A 38 -15.762 11.242 -1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -16.835 12.368 -2.992 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -15.648 13.529 -2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -14.154 12.338 -4.322 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -15.734 11.980 -4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.848 13.620 -6.288 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -14.483 15.267 -6.347 1.00 0.00 H new ATOM 593 N PRO A 39 -15.871 9.287 -2.810 1.00 0.00 N ATOM 594 CA PRO A 39 -15.823 8.019 -3.545 1.00 0.00 C ATOM 595 C PRO A 39 -16.019 8.212 -5.045 1.00 0.00 C ATOM 596 O PRO A 39 -17.136 8.123 -5.551 1.00 0.00 O ATOM 597 CB PRO A 39 -16.986 7.221 -2.951 1.00 0.00 C ATOM 598 CG PRO A 39 -17.932 8.252 -2.441 1.00 0.00 C ATOM 599 CD PRO A 39 -17.081 9.402 -1.979 1.00 0.00 C ATOM 0 HA PRO A 39 -14.856 7.526 -3.446 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.457 6.589 -3.704 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.647 6.564 -2.150 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -18.624 8.567 -3.222 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.534 7.858 -1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -17.582 10.358 -2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.848 9.328 -0.917 1.00 0.00 H new ATOM 607 N GLY A 40 -14.923 8.475 -5.751 1.00 0.00 N ATOM 608 CA GLY A 40 -14.997 8.675 -7.187 1.00 0.00 C ATOM 609 C GLY A 40 -14.077 7.743 -7.950 1.00 0.00 C ATOM 610 O GLY A 40 -13.857 6.604 -7.540 1.00 0.00 O ATOM 0 H GLY A 40 -13.986 8.553 -5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.023 8.520 -7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.738 9.708 -7.421 1.00 0.00 H new ATOM 614 N ARG A 41 -13.538 8.228 -9.064 1.00 0.00 N ATOM 615 CA ARG A 41 -12.639 7.429 -9.888 1.00 0.00 C ATOM 616 C ARG A 41 -11.264 8.084 -9.983 1.00 0.00 C ATOM 617 O ARG A 41 -10.238 7.415 -9.859 1.00 0.00 O ATOM 618 CB ARG A 41 -13.225 7.244 -11.289 1.00 0.00 C ATOM 619 CG ARG A 41 -13.484 8.552 -12.019 1.00 0.00 C ATOM 620 CD ARG A 41 -14.448 8.362 -13.179 1.00 0.00 C ATOM 621 NE ARG A 41 -14.823 9.633 -13.793 1.00 0.00 N ATOM 622 CZ ARG A 41 -14.075 10.266 -14.690 1.00 0.00 C ATOM 623 NH1 ARG A 41 -12.916 9.748 -15.075 1.00 0.00 N ATOM 624 NH2 ARG A 41 -14.485 11.419 -15.203 1.00 0.00 N ATOM 0 H ARG A 41 -13.708 9.170 -9.416 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.527 6.452 -9.417 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.542 6.636 -11.882 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.160 6.689 -11.212 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.892 9.284 -11.322 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.542 8.955 -12.390 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.989 7.718 -13.930 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -15.344 7.852 -12.826 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.708 10.058 -13.518 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.598 8.862 -14.682 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.343 10.236 -15.764 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.375 11.820 -14.909 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.910 11.904 -15.892 1.00 0.00 H new ATOM 638 N GLU A 42 -11.252 9.394 -10.205 1.00 0.00 N ATOM 639 CA GLU A 42 -10.002 10.138 -10.318 1.00 0.00 C ATOM 640 C GLU A 42 -9.517 10.598 -8.946 1.00 0.00 C ATOM 641 O GLU A 42 -8.324 10.818 -8.740 1.00 0.00 O ATOM 642 CB GLU A 42 -10.184 11.346 -11.239 1.00 0.00 C ATOM 643 CG GLU A 42 -10.854 12.531 -10.563 1.00 0.00 C ATOM 644 CD GLU A 42 -12.366 12.415 -10.548 1.00 0.00 C ATOM 645 OE1 GLU A 42 -12.905 11.801 -9.605 1.00 0.00 O ATOM 646 OE2 GLU A 42 -13.010 12.940 -11.481 1.00 0.00 O ATOM 0 H GLU A 42 -12.092 9.962 -10.310 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.251 9.474 -10.746 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.209 11.656 -11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.778 11.048 -12.103 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.489 12.614 -9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.569 13.448 -11.079 1.00 0.00 H new ATOM 653 N ASN A 43 -10.451 10.742 -8.012 1.00 0.00 N ATOM 654 CA ASN A 43 -10.120 11.177 -6.660 1.00 0.00 C ATOM 655 C ASN A 43 -9.067 10.265 -6.038 1.00 0.00 C ATOM 656 O ASN A 43 -8.109 10.734 -5.424 1.00 0.00 O ATOM 657 CB ASN A 43 -11.376 11.195 -5.786 1.00 0.00 C ATOM 658 CG ASN A 43 -11.737 9.818 -5.264 1.00 0.00 C ATOM 659 OD1 ASN A 43 -12.198 8.958 -6.015 1.00 0.00 O ATOM 660 ND2 ASN A 43 -11.530 9.603 -3.970 1.00 0.00 N ATOM 0 H ASN A 43 -11.443 10.564 -8.166 1.00 0.00 H new ATOM 0 HA ASN A 43 -9.712 12.186 -6.719 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.220 11.870 -4.945 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.211 11.592 -6.363 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.755 8.696 -3.561 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -11.146 10.345 -3.385 1.00 0.00 H new ATOM 667 N PHE A 44 -9.252 8.959 -6.202 1.00 0.00 N ATOM 668 CA PHE A 44 -8.319 7.980 -5.656 1.00 0.00 C ATOM 669 C PHE A 44 -6.891 8.281 -6.104 1.00 0.00 C ATOM 670 O PHE A 44 -5.964 8.283 -5.295 1.00 0.00 O ATOM 671 CB PHE A 44 -8.715 6.568 -6.092 1.00 0.00 C ATOM 672 CG PHE A 44 -8.047 5.485 -5.293 1.00 0.00 C ATOM 673 CD1 PHE A 44 -8.468 5.197 -4.005 1.00 0.00 C ATOM 674 CD2 PHE A 44 -6.999 4.755 -5.831 1.00 0.00 C ATOM 675 CE1 PHE A 44 -7.857 4.200 -3.267 1.00 0.00 C ATOM 676 CE2 PHE A 44 -6.384 3.758 -5.098 1.00 0.00 C ATOM 677 CZ PHE A 44 -6.813 3.481 -3.815 1.00 0.00 C ATOM 0 H PHE A 44 -10.039 8.554 -6.709 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.361 8.042 -4.569 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -9.796 6.459 -6.005 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.466 6.438 -7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -9.283 5.758 -3.572 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.659 4.968 -6.834 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.195 3.984 -2.264 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.568 3.196 -5.528 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.333 2.703 -3.241 1.00 0.00 H new ATOM 687 N GLN A 45 -6.725 8.536 -7.398 1.00 0.00 N ATOM 688 CA GLN A 45 -5.411 8.837 -7.953 1.00 0.00 C ATOM 689 C GLN A 45 -4.774 10.022 -7.234 1.00 0.00 C ATOM 690 O GLN A 45 -3.624 9.953 -6.803 1.00 0.00 O ATOM 691 CB GLN A 45 -5.522 9.133 -9.450 1.00 0.00 C ATOM 692 CG GLN A 45 -4.238 8.870 -10.220 1.00 0.00 C ATOM 693 CD GLN A 45 -4.080 9.783 -11.420 1.00 0.00 C ATOM 694 OE1 GLN A 45 -2.846 10.191 -11.695 1.00 0.00 O flip ATOM 695 NE2 GLN A 45 -5.055 10.117 -12.093 1.00 0.00 N flip ATOM 0 H GLN A 45 -7.483 8.540 -8.081 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.775 7.964 -7.809 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.321 8.524 -9.874 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.810 10.176 -9.585 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.386 9.002 -9.553 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -4.225 7.832 -10.553 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.985 9.780 -11.845 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.933 10.731 -12.898 1.00 0.00 H new ATOM 704 N ASN A 46 -5.530 11.108 -7.110 1.00 0.00 N ATOM 705 CA ASN A 46 -5.039 12.309 -6.444 1.00 0.00 C ATOM 706 C ASN A 46 -4.771 12.040 -4.966 1.00 0.00 C ATOM 707 O ASN A 46 -3.801 12.544 -4.400 1.00 0.00 O ATOM 708 CB ASN A 46 -6.050 13.448 -6.592 1.00 0.00 C ATOM 709 CG ASN A 46 -6.073 14.022 -7.995 1.00 0.00 C ATOM 710 OD1 ASN A 46 -5.043 14.438 -8.525 1.00 0.00 O ATOM 711 ND2 ASN A 46 -7.253 14.046 -8.604 1.00 0.00 N ATOM 0 H ASN A 46 -6.485 11.181 -7.462 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.102 12.600 -6.918 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.044 13.083 -6.335 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.808 14.239 -5.883 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.331 14.420 -9.550 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -8.081 13.690 -8.126 1.00 0.00 H new ATOM 718 N TRP A 47 -5.636 11.244 -4.349 1.00 0.00 N ATOM 719 CA TRP A 47 -5.492 10.907 -2.937 1.00 0.00 C ATOM 720 C TRP A 47 -4.092 10.381 -2.643 1.00 0.00 C ATOM 721 O TRP A 47 -3.430 10.837 -1.710 1.00 0.00 O ATOM 722 CB TRP A 47 -6.537 9.867 -2.531 1.00 0.00 C ATOM 723 CG TRP A 47 -6.795 9.830 -1.054 1.00 0.00 C ATOM 724 CD1 TRP A 47 -6.700 10.874 -0.179 1.00 0.00 C ATOM 725 CD2 TRP A 47 -7.188 8.691 -0.282 1.00 0.00 C ATOM 726 NE1 TRP A 47 -7.010 10.452 1.091 1.00 0.00 N ATOM 727 CE2 TRP A 47 -7.314 9.117 1.055 1.00 0.00 C ATOM 728 CE3 TRP A 47 -7.447 7.352 -0.589 1.00 0.00 C ATOM 729 CZ2 TRP A 47 -7.686 8.252 2.080 1.00 0.00 C ATOM 730 CZ3 TRP A 47 -7.817 6.495 0.430 1.00 0.00 C ATOM 731 CH2 TRP A 47 -7.934 6.947 1.751 1.00 0.00 C ATOM 0 H TRP A 47 -6.444 10.820 -4.804 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.648 11.815 -2.354 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.471 10.079 -3.051 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.206 8.882 -2.860 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -6.422 11.883 -0.446 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -7.013 11.038 1.926 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.360 6.994 -1.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.776 8.598 3.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -8.020 5.458 0.204 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -8.226 6.252 2.525 1.00 0.00 H new ATOM 742 N LEU A 48 -3.646 9.419 -3.444 1.00 0.00 N ATOM 743 CA LEU A 48 -2.322 8.830 -3.269 1.00 0.00 C ATOM 744 C LEU A 48 -1.275 9.599 -4.068 1.00 0.00 C ATOM 745 O LEU A 48 -0.084 9.554 -3.756 1.00 0.00 O ATOM 746 CB LEU A 48 -2.334 7.363 -3.701 1.00 0.00 C ATOM 747 CG LEU A 48 -3.615 6.585 -3.398 1.00 0.00 C ATOM 748 CD1 LEU A 48 -3.482 5.140 -3.853 1.00 0.00 C ATOM 749 CD2 LEU A 48 -3.942 6.651 -1.913 1.00 0.00 C ATOM 0 H LEU A 48 -4.181 9.030 -4.221 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.061 8.889 -2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.152 7.320 -4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.501 6.855 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.435 7.044 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.403 4.602 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.297 5.112 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.650 4.669 -3.329 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.857 6.092 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.122 6.218 -1.340 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.082 7.691 -1.617 1.00 0.00 H new ATOM 761 N LYS A 49 -1.725 10.306 -5.099 1.00 0.00 N ATOM 762 CA LYS A 49 -0.829 11.088 -5.942 1.00 0.00 C ATOM 763 C LYS A 49 0.197 11.836 -5.097 1.00 0.00 C ATOM 764 O LYS A 49 1.325 12.068 -5.533 1.00 0.00 O ATOM 765 CB LYS A 49 -1.628 12.080 -6.790 1.00 0.00 C ATOM 766 CG LYS A 49 -0.759 13.047 -7.575 1.00 0.00 C ATOM 767 CD LYS A 49 -0.478 14.313 -6.783 1.00 0.00 C ATOM 768 CE LYS A 49 0.749 15.040 -7.311 1.00 0.00 C ATOM 769 NZ LYS A 49 0.672 16.507 -7.070 1.00 0.00 N ATOM 0 H LYS A 49 -2.707 10.353 -5.371 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.299 10.401 -6.602 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.259 11.526 -7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.293 12.648 -6.139 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.182 12.563 -7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.254 13.305 -8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.343 14.974 -6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.329 14.061 -5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.642 14.640 -6.831 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.850 14.853 -8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.394 16.991 -7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.271 16.854 -7.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 0.840 16.703 -6.062 1.00 0.00 H new ATOM 783 N ASP A 50 -0.200 12.210 -3.885 1.00 0.00 N ATOM 784 CA ASP A 50 0.686 12.930 -2.978 1.00 0.00 C ATOM 785 C ASP A 50 1.599 11.964 -2.230 1.00 0.00 C ATOM 786 O ASP A 50 2.736 12.299 -1.899 1.00 0.00 O ATOM 787 CB ASP A 50 -0.130 13.754 -1.982 1.00 0.00 C ATOM 788 CG ASP A 50 -1.410 14.294 -2.588 1.00 0.00 C ATOM 789 OD1 ASP A 50 -1.339 14.909 -3.673 1.00 0.00 O ATOM 790 OD2 ASP A 50 -2.483 14.103 -1.978 1.00 0.00 O ATOM 0 H ASP A 50 -1.130 12.026 -3.508 1.00 0.00 H new ATOM 0 HA ASP A 50 1.306 13.602 -3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.373 13.136 -1.117 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.476 14.585 -1.620 1.00 0.00 H new ATOM 795 N GLY A 51 1.093 10.763 -1.966 1.00 0.00 N ATOM 796 CA GLY A 51 1.876 9.767 -1.258 1.00 0.00 C ATOM 797 C GLY A 51 1.644 9.804 0.239 1.00 0.00 C ATOM 798 O GLY A 51 1.517 8.762 0.882 1.00 0.00 O ATOM 0 H GLY A 51 0.155 10.462 -2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.626 8.776 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.934 9.929 -1.463 1.00 0.00 H new ATOM 802 N THR A 52 1.590 11.009 0.799 1.00 0.00 N ATOM 803 CA THR A 52 1.375 11.178 2.230 1.00 0.00 C ATOM 804 C THR A 52 0.423 10.119 2.772 1.00 0.00 C ATOM 805 O THR A 52 0.680 9.511 3.811 1.00 0.00 O ATOM 806 CB THR A 52 0.809 12.574 2.552 1.00 0.00 C ATOM 807 OG1 THR A 52 -0.224 12.911 1.619 1.00 0.00 O ATOM 808 CG2 THR A 52 1.906 13.627 2.504 1.00 0.00 C ATOM 0 H THR A 52 1.692 11.882 0.282 1.00 0.00 H new ATOM 0 HA THR A 52 2.347 11.068 2.711 1.00 0.00 H new ATOM 0 HB THR A 52 0.394 12.550 3.560 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.580 13.799 1.832 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.482 14.604 2.735 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.676 13.384 3.236 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.346 13.648 1.507 1.00 0.00 H new ATOM 816 N VAL A 53 -0.680 9.902 2.061 1.00 0.00 N ATOM 817 CA VAL A 53 -1.671 8.913 2.470 1.00 0.00 C ATOM 818 C VAL A 53 -1.074 7.510 2.484 1.00 0.00 C ATOM 819 O VAL A 53 -1.269 6.750 3.433 1.00 0.00 O ATOM 820 CB VAL A 53 -2.897 8.929 1.538 1.00 0.00 C ATOM 821 CG1 VAL A 53 -3.807 7.746 1.832 1.00 0.00 C ATOM 822 CG2 VAL A 53 -3.653 10.242 1.676 1.00 0.00 C ATOM 0 H VAL A 53 -0.909 10.398 1.200 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.987 9.180 3.478 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.551 8.842 0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.668 7.774 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.258 6.817 1.677 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.148 7.798 2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.516 10.236 1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.989 10.362 2.706 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.996 11.070 1.411 1.00 0.00 H new ATOM 832 N LEU A 54 -0.346 7.173 1.425 1.00 0.00 N ATOM 833 CA LEU A 54 0.280 5.860 1.315 1.00 0.00 C ATOM 834 C LEU A 54 1.170 5.578 2.522 1.00 0.00 C ATOM 835 O LEU A 54 1.243 4.445 3.000 1.00 0.00 O ATOM 836 CB LEU A 54 1.104 5.772 0.029 1.00 0.00 C ATOM 837 CG LEU A 54 0.314 5.533 -1.259 1.00 0.00 C ATOM 838 CD1 LEU A 54 1.178 5.824 -2.476 1.00 0.00 C ATOM 839 CD2 LEU A 54 -0.212 4.106 -1.304 1.00 0.00 C ATOM 0 H LEU A 54 -0.175 7.790 0.631 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.510 5.110 1.286 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.669 6.698 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.830 4.967 0.141 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.538 6.213 -1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.600 5.649 -3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.505 6.863 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.049 5.169 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.772 3.953 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.625 3.408 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.867 3.932 -0.450 1.00 0.00 H new ATOM 851 N CYS A 55 1.842 6.614 3.010 1.00 0.00 N ATOM 852 CA CYS A 55 2.725 6.478 4.162 1.00 0.00 C ATOM 853 C CYS A 55 1.938 6.088 5.408 1.00 0.00 C ATOM 854 O CYS A 55 2.286 5.132 6.100 1.00 0.00 O ATOM 855 CB CYS A 55 3.480 7.786 4.410 1.00 0.00 C ATOM 856 SG CYS A 55 4.292 8.459 2.941 1.00 0.00 S ATOM 0 H CYS A 55 1.792 7.558 2.626 1.00 0.00 H new ATOM 0 HA CYS A 55 3.443 5.687 3.946 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.782 8.528 4.798 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.231 7.619 5.183 1.00 0.00 H new ATOM 0 HG CYS A 55 3.408 8.655 2.008 1.00 0.00 H new ATOM 862 N GLU A 56 0.875 6.836 5.689 1.00 0.00 N ATOM 863 CA GLU A 56 0.040 6.568 6.854 1.00 0.00 C ATOM 864 C GLU A 56 -0.394 5.106 6.888 1.00 0.00 C ATOM 865 O GLU A 56 -0.628 4.541 7.957 1.00 0.00 O ATOM 866 CB GLU A 56 -1.192 7.477 6.846 1.00 0.00 C ATOM 867 CG GLU A 56 -0.918 8.878 7.365 1.00 0.00 C ATOM 868 CD GLU A 56 -0.706 8.913 8.866 1.00 0.00 C ATOM 869 OE1 GLU A 56 -0.511 7.833 9.462 1.00 0.00 O ATOM 870 OE2 GLU A 56 -0.736 10.019 9.445 1.00 0.00 O ATOM 0 H GLU A 56 0.572 7.631 5.126 1.00 0.00 H new ATOM 0 HA GLU A 56 0.630 6.775 7.747 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.577 7.544 5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.974 7.020 7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.035 9.279 6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.754 9.528 7.105 1.00 0.00 H new ATOM 877 N LEU A 57 -0.499 4.498 5.712 1.00 0.00 N ATOM 878 CA LEU A 57 -0.905 3.101 5.605 1.00 0.00 C ATOM 879 C LEU A 57 0.170 2.177 6.169 1.00 0.00 C ATOM 880 O LEU A 57 -0.016 1.560 7.218 1.00 0.00 O ATOM 881 CB LEU A 57 -1.188 2.742 4.146 1.00 0.00 C ATOM 882 CG LEU A 57 -1.598 1.293 3.878 1.00 0.00 C ATOM 883 CD1 LEU A 57 -2.850 0.938 4.665 1.00 0.00 C ATOM 884 CD2 LEU A 57 -1.819 1.067 2.390 1.00 0.00 C ATOM 0 H LEU A 57 -0.308 4.951 4.818 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.816 2.967 6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.979 3.396 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.296 2.960 3.559 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.789 0.640 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.126 -0.097 4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.656 1.059 5.731 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.666 1.597 4.367 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.110 0.031 2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.609 1.729 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.897 1.279 1.849 1.00 0.00 H new ATOM 896 N ILE A 58 1.294 2.089 5.466 1.00 0.00 N ATOM 897 CA ILE A 58 2.400 1.243 5.899 1.00 0.00 C ATOM 898 C ILE A 58 2.779 1.531 7.348 1.00 0.00 C ATOM 899 O ILE A 58 3.060 0.616 8.120 1.00 0.00 O ATOM 900 CB ILE A 58 3.641 1.439 5.007 1.00 0.00 C ATOM 901 CG1 ILE A 58 4.707 0.395 5.343 1.00 0.00 C ATOM 902 CG2 ILE A 58 4.197 2.845 5.175 1.00 0.00 C ATOM 903 CD1 ILE A 58 4.425 -0.969 4.754 1.00 0.00 C ATOM 0 H ILE A 58 1.463 2.592 4.595 1.00 0.00 H new ATOM 0 HA ILE A 58 2.060 0.211 5.814 1.00 0.00 H new ATOM 0 HB ILE A 58 3.347 1.308 3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.674 0.745 4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.786 0.304 6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.073 2.968 4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.437 3.573 4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.480 3.003 6.216 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.222 -1.658 5.033 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.474 -1.341 5.136 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.375 -0.893 3.668 1.00 0.00 H new ATOM 915 N ASN A 59 2.781 2.810 7.710 1.00 0.00 N ATOM 916 CA ASN A 59 3.123 3.220 9.067 1.00 0.00 C ATOM 917 C ASN A 59 2.123 2.658 10.073 1.00 0.00 C ATOM 918 O ASN A 59 2.497 2.245 11.171 1.00 0.00 O ATOM 919 CB ASN A 59 3.163 4.746 9.167 1.00 0.00 C ATOM 920 CG ASN A 59 4.430 5.332 8.576 1.00 0.00 C ATOM 921 OD1 ASN A 59 5.538 4.931 8.934 1.00 0.00 O ATOM 922 ND2 ASN A 59 4.273 6.286 7.666 1.00 0.00 N ATOM 0 H ASN A 59 2.550 3.580 7.082 1.00 0.00 H new ATOM 0 HA ASN A 59 4.110 2.822 9.302 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.298 5.164 8.652 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.084 5.041 10.213 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.090 6.718 7.233 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.336 6.587 7.399 1.00 0.00 H new ATOM 929 N ALA A 60 0.851 2.646 9.690 1.00 0.00 N ATOM 930 CA ALA A 60 -0.203 2.133 10.557 1.00 0.00 C ATOM 931 C ALA A 60 0.062 0.681 10.943 1.00 0.00 C ATOM 932 O ALA A 60 -0.171 0.279 12.084 1.00 0.00 O ATOM 933 CB ALA A 60 -1.557 2.262 9.875 1.00 0.00 C ATOM 0 H ALA A 60 0.525 2.986 8.785 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.211 2.728 11.470 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.335 1.875 10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.756 3.311 9.656 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.552 1.692 8.946 1.00 0.00 H new ATOM 939 N LEU A 61 0.547 -0.101 9.985 1.00 0.00 N ATOM 940 CA LEU A 61 0.843 -1.509 10.225 1.00 0.00 C ATOM 941 C LEU A 61 1.966 -1.664 11.245 1.00 0.00 C ATOM 942 O LEU A 61 1.732 -2.069 12.384 1.00 0.00 O ATOM 943 CB LEU A 61 1.228 -2.199 8.915 1.00 0.00 C ATOM 944 CG LEU A 61 0.166 -2.194 7.815 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.807 -2.413 6.453 1.00 0.00 C ATOM 946 CD2 LEU A 61 -0.889 -3.256 8.087 1.00 0.00 C ATOM 0 H LEU A 61 0.744 0.216 9.036 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.054 -1.980 10.627 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.127 -1.720 8.526 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.488 -3.234 9.136 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.321 -1.219 7.812 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.036 -2.406 5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.524 -1.616 6.256 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.321 -3.374 6.443 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.637 -3.238 7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.417 -4.238 8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.370 -3.054 9.044 1.00 0.00 H new ATOM 958 N TYR A 62 3.185 -1.339 10.829 1.00 0.00 N ATOM 959 CA TYR A 62 4.345 -1.442 11.706 1.00 0.00 C ATOM 960 C TYR A 62 4.103 -0.703 13.018 1.00 0.00 C ATOM 961 O TYR A 62 3.473 0.354 13.058 1.00 0.00 O ATOM 962 CB TYR A 62 5.587 -0.879 11.012 1.00 0.00 C ATOM 963 CG TYR A 62 6.222 -1.841 10.034 1.00 0.00 C ATOM 964 CD1 TYR A 62 6.993 -2.908 10.480 1.00 0.00 C ATOM 965 CD2 TYR A 62 6.052 -1.683 8.664 1.00 0.00 C ATOM 966 CE1 TYR A 62 7.576 -3.789 9.590 1.00 0.00 C ATOM 967 CE2 TYR A 62 6.630 -2.561 7.767 1.00 0.00 C ATOM 968 CZ TYR A 62 7.391 -3.611 8.234 1.00 0.00 C ATOM 969 OH TYR A 62 7.970 -4.486 7.344 1.00 0.00 O ATOM 0 H TYR A 62 3.395 -1.002 9.890 1.00 0.00 H new ATOM 0 HA TYR A 62 4.508 -2.497 11.929 1.00 0.00 H new ATOM 0 HB2 TYR A 62 5.315 0.035 10.485 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.322 -0.604 11.768 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.139 -3.051 11.541 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.458 -0.860 8.294 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.173 -4.612 9.953 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.486 -2.425 6.705 1.00 0.00 H new ATOM 0 HH TYR A 62 7.741 -4.221 6.429 1.00 0.00 H new ATOM 979 N PRO A 63 4.616 -1.271 14.119 1.00 0.00 N ATOM 980 CA PRO A 63 4.471 -0.684 15.455 1.00 0.00 C ATOM 981 C PRO A 63 5.284 0.596 15.617 1.00 0.00 C ATOM 982 O PRO A 63 5.876 1.091 14.658 1.00 0.00 O ATOM 983 CB PRO A 63 5.004 -1.778 16.383 1.00 0.00 C ATOM 984 CG PRO A 63 5.944 -2.567 15.539 1.00 0.00 C ATOM 985 CD PRO A 63 5.379 -2.531 14.146 1.00 0.00 C ATOM 0 HA PRO A 63 3.441 -0.394 15.663 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.512 -1.351 17.248 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.196 -2.402 16.764 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.946 -2.138 15.565 1.00 0.00 H new ATOM 0 HG3 PRO A 63 6.027 -3.592 15.900 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.167 -2.540 13.393 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.740 -3.392 13.949 1.00 0.00 H new ATOM 993 N GLU A 64 5.309 1.125 16.836 1.00 0.00 N ATOM 994 CA GLU A 64 6.050 2.348 17.122 1.00 0.00 C ATOM 995 C GLU A 64 7.551 2.127 16.953 1.00 0.00 C ATOM 996 O GLU A 64 8.110 1.164 17.477 1.00 0.00 O ATOM 997 CB GLU A 64 5.752 2.831 18.543 1.00 0.00 C ATOM 998 CG GLU A 64 4.346 3.382 18.716 1.00 0.00 C ATOM 999 CD GLU A 64 3.925 3.460 20.170 1.00 0.00 C ATOM 1000 OE1 GLU A 64 4.257 4.468 20.830 1.00 0.00 O ATOM 1001 OE2 GLU A 64 3.265 2.515 20.650 1.00 0.00 O ATOM 0 H GLU A 64 4.825 0.726 17.641 1.00 0.00 H new ATOM 0 HA GLU A 64 5.730 3.111 16.412 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.897 2.003 19.237 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.472 3.603 18.814 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.292 4.376 18.272 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.643 2.751 18.171 1.00 0.00 H new ATOM 1008 N GLY A 65 8.197 3.026 16.217 1.00 0.00 N ATOM 1009 CA GLY A 65 9.626 2.911 15.991 1.00 0.00 C ATOM 1010 C GLY A 65 9.957 1.996 14.829 1.00 0.00 C ATOM 1011 O GLY A 65 11.022 2.113 14.223 1.00 0.00 O ATOM 0 H GLY A 65 7.756 3.832 15.773 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.041 3.901 15.800 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.104 2.533 16.895 1.00 0.00 H new ATOM 1015 N GLN A 66 9.045 1.080 14.520 1.00 0.00 N ATOM 1016 CA GLN A 66 9.248 0.139 13.425 1.00 0.00 C ATOM 1017 C GLN A 66 8.798 0.742 12.098 1.00 0.00 C ATOM 1018 O GLN A 66 9.111 0.219 11.029 1.00 0.00 O ATOM 1019 CB GLN A 66 8.485 -1.160 13.692 1.00 0.00 C ATOM 1020 CG GLN A 66 9.167 -2.068 14.703 1.00 0.00 C ATOM 1021 CD GLN A 66 8.743 -3.517 14.565 1.00 0.00 C ATOM 1022 OE1 GLN A 66 8.655 -4.047 13.457 1.00 0.00 O ATOM 1023 NE2 GLN A 66 8.478 -4.167 15.692 1.00 0.00 N ATOM 0 H GLN A 66 8.159 0.970 15.012 1.00 0.00 H new ATOM 0 HA GLN A 66 10.314 -0.080 13.361 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.485 -0.917 14.051 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.365 -1.701 12.753 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.248 -1.996 14.579 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.938 -1.721 15.710 1.00 0.00 H new ATOM 0 HE21 GLN A 66 8.564 -3.689 16.589 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.189 -5.145 15.661 1.00 0.00 H new ATOM 1032 N ALA A 67 8.062 1.846 12.175 1.00 0.00 N ATOM 1033 CA ALA A 67 7.570 2.522 10.981 1.00 0.00 C ATOM 1034 C ALA A 67 8.725 2.997 10.105 1.00 0.00 C ATOM 1035 O ALA A 67 9.564 3.795 10.522 1.00 0.00 O ATOM 1036 CB ALA A 67 6.680 3.694 11.366 1.00 0.00 C ATOM 0 H ALA A 67 7.793 2.291 13.052 1.00 0.00 H new ATOM 0 HA ALA A 67 6.981 1.808 10.406 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.320 4.189 10.464 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.830 3.331 11.944 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.251 4.403 11.966 1.00 0.00 H new ATOM 1042 N PRO A 68 8.770 2.496 8.862 1.00 0.00 N ATOM 1043 CA PRO A 68 9.818 2.855 7.901 1.00 0.00 C ATOM 1044 C PRO A 68 9.693 4.297 7.420 1.00 0.00 C ATOM 1045 O PRO A 68 10.675 4.908 6.997 1.00 0.00 O ATOM 1046 CB PRO A 68 9.585 1.883 6.742 1.00 0.00 C ATOM 1047 CG PRO A 68 8.142 1.524 6.833 1.00 0.00 C ATOM 1048 CD PRO A 68 7.803 1.539 8.298 1.00 0.00 C ATOM 0 HA PRO A 68 10.814 2.786 8.339 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.818 2.347 5.783 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.219 1.001 6.832 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.527 2.236 6.283 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.956 0.541 6.400 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.775 1.858 8.469 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.908 0.551 8.745 1.00 0.00 H new ATOM 1056 N VAL A 69 8.480 4.836 7.489 1.00 0.00 N ATOM 1057 CA VAL A 69 8.227 6.207 7.062 1.00 0.00 C ATOM 1058 C VAL A 69 7.674 7.046 8.208 1.00 0.00 C ATOM 1059 O VAL A 69 6.460 7.153 8.384 1.00 0.00 O ATOM 1060 CB VAL A 69 7.239 6.254 5.881 1.00 0.00 C ATOM 1061 CG1 VAL A 69 6.900 7.694 5.526 1.00 0.00 C ATOM 1062 CG2 VAL A 69 7.811 5.520 4.678 1.00 0.00 C ATOM 0 H VAL A 69 7.657 4.344 7.837 1.00 0.00 H new ATOM 0 HA VAL A 69 9.183 6.621 6.742 1.00 0.00 H new ATOM 0 HB VAL A 69 6.319 5.752 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.201 7.708 4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.445 8.184 6.387 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.811 8.224 5.246 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.100 5.563 3.853 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.746 5.991 4.376 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.997 4.479 4.942 1.00 0.00 H new ATOM 1072 N LYS A 70 8.572 7.642 8.985 1.00 0.00 N ATOM 1073 CA LYS A 70 8.175 8.474 10.114 1.00 0.00 C ATOM 1074 C LYS A 70 7.918 9.910 9.668 1.00 0.00 C ATOM 1075 O LYS A 70 6.960 10.546 10.108 1.00 0.00 O ATOM 1076 CB LYS A 70 9.257 8.451 11.196 1.00 0.00 C ATOM 1077 CG LYS A 70 9.643 7.051 11.641 1.00 0.00 C ATOM 1078 CD LYS A 70 8.488 6.349 12.336 1.00 0.00 C ATOM 1079 CE LYS A 70 8.335 6.818 13.775 1.00 0.00 C ATOM 1080 NZ LYS A 70 6.926 6.717 14.244 1.00 0.00 N ATOM 0 H LYS A 70 9.580 7.564 8.853 1.00 0.00 H new ATOM 0 HA LYS A 70 7.250 8.069 10.524 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.144 8.962 10.822 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.906 9.014 12.061 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.958 6.467 10.776 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.497 7.105 12.317 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.564 6.539 11.790 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.652 5.272 12.319 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.977 6.220 14.422 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.672 7.851 13.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.863 7.046 15.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.317 7.307 13.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.612 5.727 14.189 1.00 0.00 H new ATOM 1094 N LYS A 71 8.779 10.415 8.791 1.00 0.00 N ATOM 1095 CA LYS A 71 8.644 11.775 8.282 1.00 0.00 C ATOM 1096 C LYS A 71 7.582 11.844 7.190 1.00 0.00 C ATOM 1097 O LYS A 71 7.878 11.655 6.010 1.00 0.00 O ATOM 1098 CB LYS A 71 9.984 12.273 7.737 1.00 0.00 C ATOM 1099 CG LYS A 71 11.079 12.344 8.787 1.00 0.00 C ATOM 1100 CD LYS A 71 12.242 13.205 8.323 1.00 0.00 C ATOM 1101 CE LYS A 71 13.468 13.006 9.200 1.00 0.00 C ATOM 1102 NZ LYS A 71 13.479 13.942 10.359 1.00 0.00 N ATOM 0 H LYS A 71 9.578 9.903 8.418 1.00 0.00 H new ATOM 0 HA LYS A 71 8.334 12.416 9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.307 11.613 6.932 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.845 13.263 7.302 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.671 12.750 9.713 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.436 11.339 9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.489 12.959 7.290 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.948 14.255 8.339 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.492 11.978 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.369 13.155 8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.330 13.775 10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.482 14.923 10.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.632 13.783 10.942 1.00 0.00 H new ATOM 1116 N ILE A 72 6.345 12.118 7.590 1.00 0.00 N ATOM 1117 CA ILE A 72 5.240 12.215 6.644 1.00 0.00 C ATOM 1118 C ILE A 72 4.852 13.669 6.399 1.00 0.00 C ATOM 1119 O ILE A 72 3.994 14.217 7.089 1.00 0.00 O ATOM 1120 CB ILE A 72 4.003 11.443 7.142 1.00 0.00 C ATOM 1121 CG1 ILE A 72 4.409 10.056 7.646 1.00 0.00 C ATOM 1122 CG2 ILE A 72 2.969 11.327 6.032 1.00 0.00 C ATOM 1123 CD1 ILE A 72 3.250 9.244 8.179 1.00 0.00 C ATOM 0 H ILE A 72 6.083 12.277 8.563 1.00 0.00 H new ATOM 0 HA ILE A 72 5.584 11.771 5.710 1.00 0.00 H new ATOM 0 HB ILE A 72 3.558 11.994 7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.883 9.507 6.832 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.156 10.168 8.432 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.101 10.779 6.399 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.662 12.324 5.715 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.402 10.795 5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.611 8.273 8.519 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.789 9.772 9.014 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.513 9.101 7.389 1.00 0.00 H new ATOM 1135 N GLN A 73 5.490 14.286 5.409 1.00 0.00 N ATOM 1136 CA GLN A 73 5.210 15.677 5.072 1.00 0.00 C ATOM 1137 C GLN A 73 4.512 15.779 3.720 1.00 0.00 C ATOM 1138 O GLN A 73 4.711 14.940 2.842 1.00 0.00 O ATOM 1139 CB GLN A 73 6.506 16.489 5.052 1.00 0.00 C ATOM 1140 CG GLN A 73 6.293 17.968 4.774 1.00 0.00 C ATOM 1141 CD GLN A 73 5.774 18.721 5.983 1.00 0.00 C ATOM 1142 OE1 GLN A 73 6.231 18.505 7.106 1.00 0.00 O ATOM 1143 NE2 GLN A 73 4.814 19.610 5.760 1.00 0.00 N ATOM 0 H GLN A 73 6.203 13.846 4.827 1.00 0.00 H new ATOM 0 HA GLN A 73 4.546 16.083 5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 73 7.010 16.377 6.012 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.171 16.077 4.293 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.235 18.412 4.451 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.588 18.081 3.950 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.465 19.757 4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.425 20.146 6.536 1.00 0.00 H new ATOM 1152 N ALA A 74 3.692 16.813 3.560 1.00 0.00 N ATOM 1153 CA ALA A 74 2.965 17.025 2.315 1.00 0.00 C ATOM 1154 C ALA A 74 3.567 18.178 1.517 1.00 0.00 C ATOM 1155 O ALA A 74 3.121 19.320 1.627 1.00 0.00 O ATOM 1156 CB ALA A 74 1.494 17.291 2.601 1.00 0.00 C ATOM 0 H ALA A 74 3.515 17.516 4.277 1.00 0.00 H new ATOM 0 HA ALA A 74 3.049 16.119 1.715 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.963 17.448 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.064 16.436 3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.399 18.181 3.224 1.00 0.00 H new ATOM 1162 N SER A 75 4.581 17.870 0.716 1.00 0.00 N ATOM 1163 CA SER A 75 5.248 18.881 -0.096 1.00 0.00 C ATOM 1164 C SER A 75 4.646 18.936 -1.497 1.00 0.00 C ATOM 1165 O SER A 75 5.047 18.186 -2.388 1.00 0.00 O ATOM 1166 CB SER A 75 6.747 18.589 -0.184 1.00 0.00 C ATOM 1167 OG SER A 75 7.389 18.843 1.053 1.00 0.00 O ATOM 0 H SER A 75 4.959 16.928 0.612 1.00 0.00 H new ATOM 0 HA SER A 75 5.102 19.850 0.382 1.00 0.00 H new ATOM 0 HB2 SER A 75 6.902 17.549 -0.471 1.00 0.00 H new ATOM 0 HB3 SER A 75 7.196 19.205 -0.963 1.00 0.00 H new ATOM 0 HG SER A 75 8.316 19.117 0.890 1.00 0.00 H new ATOM 1173 N THR A 76 3.679 19.829 -1.685 1.00 0.00 N ATOM 1174 CA THR A 76 3.020 19.982 -2.976 1.00 0.00 C ATOM 1175 C THR A 76 4.009 19.805 -4.123 1.00 0.00 C ATOM 1176 O THR A 76 3.646 19.334 -5.200 1.00 0.00 O ATOM 1177 CB THR A 76 2.346 21.361 -3.102 1.00 0.00 C ATOM 1178 OG1 THR A 76 2.089 21.657 -4.480 1.00 0.00 O ATOM 1179 CG2 THR A 76 3.222 22.449 -2.500 1.00 0.00 C ATOM 0 H THR A 76 3.335 20.457 -0.959 1.00 0.00 H new ATOM 0 HA THR A 76 2.257 19.206 -3.036 1.00 0.00 H new ATOM 0 HB THR A 76 1.404 21.331 -2.555 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.659 22.535 -4.551 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.725 23.414 -2.601 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.392 22.237 -1.444 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.178 22.477 -3.023 1.00 0.00 H new ATOM 1187 N MET A 77 5.259 20.185 -3.883 1.00 0.00 N ATOM 1188 CA MET A 77 6.301 20.066 -4.897 1.00 0.00 C ATOM 1189 C MET A 77 6.092 18.816 -5.746 1.00 0.00 C ATOM 1190 O MET A 77 6.195 17.694 -5.252 1.00 0.00 O ATOM 1191 CB MET A 77 7.681 20.024 -4.238 1.00 0.00 C ATOM 1192 CG MET A 77 8.241 21.399 -3.912 1.00 0.00 C ATOM 1193 SD MET A 77 8.657 22.348 -5.388 1.00 0.00 S ATOM 1194 CE MET A 77 10.444 22.228 -5.375 1.00 0.00 C ATOM 0 H MET A 77 5.575 20.578 -2.996 1.00 0.00 H new ATOM 0 HA MET A 77 6.243 20.939 -5.547 1.00 0.00 H new ATOM 0 HB2 MET A 77 7.619 19.439 -3.320 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.375 19.506 -4.900 1.00 0.00 H new ATOM 0 HG2 MET A 77 7.511 21.954 -3.322 1.00 0.00 H new ATOM 0 HG3 MET A 77 9.132 21.287 -3.294 1.00 0.00 H new ATOM 0 HE1 MET A 77 10.851 22.767 -6.230 1.00 0.00 H new ATOM 0 HE2 MET A 77 10.831 22.663 -4.454 1.00 0.00 H new ATOM 0 HE3 MET A 77 10.739 21.180 -5.433 1.00 0.00 H new ATOM 1204 N ALA A 78 5.798 19.019 -7.027 1.00 0.00 N ATOM 1205 CA ALA A 78 5.577 17.909 -7.945 1.00 0.00 C ATOM 1206 C ALA A 78 6.662 16.847 -7.794 1.00 0.00 C ATOM 1207 O ALA A 78 6.385 15.649 -7.860 1.00 0.00 O ATOM 1208 CB ALA A 78 5.524 18.412 -9.379 1.00 0.00 C ATOM 0 H ALA A 78 5.708 19.942 -7.452 1.00 0.00 H new ATOM 0 HA ALA A 78 4.620 17.451 -7.697 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.358 17.572 -10.053 1.00 0.00 H new ATOM 0 HB2 ALA A 78 4.708 19.128 -9.484 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.467 18.898 -9.629 1.00 0.00 H new ATOM 1214 N PHE A 79 7.897 17.294 -7.592 1.00 0.00 N ATOM 1215 CA PHE A 79 9.024 16.383 -7.434 1.00 0.00 C ATOM 1216 C PHE A 79 8.926 15.621 -6.115 1.00 0.00 C ATOM 1217 O PHE A 79 9.123 14.407 -6.070 1.00 0.00 O ATOM 1218 CB PHE A 79 10.344 17.154 -7.495 1.00 0.00 C ATOM 1219 CG PHE A 79 11.483 16.446 -6.819 1.00 0.00 C ATOM 1220 CD1 PHE A 79 12.185 15.450 -7.478 1.00 0.00 C ATOM 1221 CD2 PHE A 79 11.852 16.777 -5.525 1.00 0.00 C ATOM 1222 CE1 PHE A 79 13.235 14.796 -6.860 1.00 0.00 C ATOM 1223 CE2 PHE A 79 12.901 16.128 -4.902 1.00 0.00 C ATOM 1224 CZ PHE A 79 13.592 15.135 -5.570 1.00 0.00 C ATOM 0 H PHE A 79 8.143 18.282 -7.534 1.00 0.00 H new ATOM 0 HA PHE A 79 8.995 15.663 -8.252 1.00 0.00 H new ATOM 0 HB2 PHE A 79 10.605 17.331 -8.539 1.00 0.00 H new ATOM 0 HB3 PHE A 79 10.207 18.131 -7.031 1.00 0.00 H new ATOM 0 HD1 PHE A 79 11.909 15.181 -8.487 1.00 0.00 H new ATOM 0 HD2 PHE A 79 11.314 17.551 -4.998 1.00 0.00 H new ATOM 0 HE1 PHE A 79 13.775 14.022 -7.385 1.00 0.00 H new ATOM 0 HE2 PHE A 79 13.181 16.397 -3.894 1.00 0.00 H new ATOM 0 HZ PHE A 79 14.410 14.625 -5.084 1.00 0.00 H new ATOM 1234 N LYS A 80 8.622 16.344 -5.043 1.00 0.00 N ATOM 1235 CA LYS A 80 8.497 15.740 -3.722 1.00 0.00 C ATOM 1236 C LYS A 80 7.382 14.699 -3.703 1.00 0.00 C ATOM 1237 O LYS A 80 7.586 13.566 -3.268 1.00 0.00 O ATOM 1238 CB LYS A 80 8.223 16.816 -2.670 1.00 0.00 C ATOM 1239 CG LYS A 80 9.422 17.703 -2.380 1.00 0.00 C ATOM 1240 CD LYS A 80 10.425 17.008 -1.475 1.00 0.00 C ATOM 1241 CE LYS A 80 10.116 17.256 -0.006 1.00 0.00 C ATOM 1242 NZ LYS A 80 10.965 16.420 0.888 1.00 0.00 N ATOM 0 H LYS A 80 8.457 17.350 -5.063 1.00 0.00 H new ATOM 0 HA LYS A 80 9.438 15.243 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.394 17.439 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.905 16.335 -1.745 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.906 17.979 -3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.086 18.627 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 80 10.415 15.936 -1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.430 17.365 -1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.273 18.310 0.225 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.065 17.040 0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.724 16.618 1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.797 15.414 0.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.967 16.644 0.724 1.00 0.00 H new ATOM 1256 N GLN A 81 6.205 15.092 -4.178 1.00 0.00 N ATOM 1257 CA GLN A 81 5.058 14.192 -4.216 1.00 0.00 C ATOM 1258 C GLN A 81 5.484 12.785 -4.624 1.00 0.00 C ATOM 1259 O GLN A 81 5.444 11.856 -3.817 1.00 0.00 O ATOM 1260 CB GLN A 81 4.001 14.719 -5.187 1.00 0.00 C ATOM 1261 CG GLN A 81 3.496 16.111 -4.840 1.00 0.00 C ATOM 1262 CD GLN A 81 2.303 16.082 -3.905 1.00 0.00 C ATOM 1263 OE1 GLN A 81 1.184 15.773 -4.316 1.00 0.00 O ATOM 1264 NE2 GLN A 81 2.536 16.406 -2.638 1.00 0.00 N ATOM 0 H GLN A 81 6.020 16.027 -4.542 1.00 0.00 H new ATOM 0 HA GLN A 81 4.630 14.147 -3.214 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.419 14.734 -6.193 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.157 14.029 -5.202 1.00 0.00 H new ATOM 0 HG2 GLN A 81 4.302 16.681 -4.377 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.222 16.633 -5.757 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.479 16.656 -2.341 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.772 16.405 -1.963 1.00 0.00 H new ATOM 1273 N MET A 82 5.890 12.636 -5.880 1.00 0.00 N ATOM 1274 CA MET A 82 6.323 11.342 -6.395 1.00 0.00 C ATOM 1275 C MET A 82 7.156 10.596 -5.357 1.00 0.00 C ATOM 1276 O MET A 82 6.797 9.497 -4.935 1.00 0.00 O ATOM 1277 CB MET A 82 7.133 11.525 -7.679 1.00 0.00 C ATOM 1278 CG MET A 82 6.278 11.830 -8.899 1.00 0.00 C ATOM 1279 SD MET A 82 7.249 11.962 -10.412 1.00 0.00 S ATOM 1280 CE MET A 82 7.144 13.722 -10.729 1.00 0.00 C ATOM 0 H MET A 82 5.928 13.395 -6.560 1.00 0.00 H new ATOM 0 HA MET A 82 5.434 10.751 -6.616 1.00 0.00 H new ATOM 0 HB2 MET A 82 7.848 12.335 -7.535 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.710 10.620 -7.867 1.00 0.00 H new ATOM 0 HG2 MET A 82 5.530 11.046 -9.019 1.00 0.00 H new ATOM 0 HG3 MET A 82 5.738 12.763 -8.736 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.807 13.888 -11.752 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.435 14.175 -10.036 1.00 0.00 H new ATOM 0 HE3 MET A 82 8.126 14.176 -10.592 1.00 0.00 H new ATOM 1290 N GLU A 83 8.267 11.201 -4.950 1.00 0.00 N ATOM 1291 CA GLU A 83 9.151 10.591 -3.963 1.00 0.00 C ATOM 1292 C GLU A 83 8.351 10.031 -2.790 1.00 0.00 C ATOM 1293 O GLU A 83 8.611 8.923 -2.322 1.00 0.00 O ATOM 1294 CB GLU A 83 10.169 11.615 -3.456 1.00 0.00 C ATOM 1295 CG GLU A 83 11.103 11.068 -2.389 1.00 0.00 C ATOM 1296 CD GLU A 83 12.260 10.283 -2.974 1.00 0.00 C ATOM 1297 OE1 GLU A 83 12.068 9.091 -3.296 1.00 0.00 O ATOM 1298 OE2 GLU A 83 13.359 10.860 -3.110 1.00 0.00 O ATOM 0 H GLU A 83 8.577 12.112 -5.288 1.00 0.00 H new ATOM 0 HA GLU A 83 9.681 9.770 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.762 11.972 -4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.636 12.476 -3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.493 11.894 -1.795 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.539 10.427 -1.712 1.00 0.00 H new ATOM 1305 N GLN A 84 7.377 10.805 -2.322 1.00 0.00 N ATOM 1306 CA GLN A 84 6.540 10.386 -1.204 1.00 0.00 C ATOM 1307 C GLN A 84 5.963 8.995 -1.447 1.00 0.00 C ATOM 1308 O GLN A 84 5.819 8.201 -0.516 1.00 0.00 O ATOM 1309 CB GLN A 84 5.407 11.390 -0.983 1.00 0.00 C ATOM 1310 CG GLN A 84 4.926 11.457 0.457 1.00 0.00 C ATOM 1311 CD GLN A 84 5.898 12.186 1.364 1.00 0.00 C ATOM 1312 OE1 GLN A 84 6.767 12.923 0.897 1.00 0.00 O ATOM 1313 NE2 GLN A 84 5.757 11.983 2.669 1.00 0.00 N ATOM 0 H GLN A 84 7.148 11.725 -2.699 1.00 0.00 H new ATOM 0 HA GLN A 84 7.163 10.350 -0.310 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.744 12.380 -1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.567 11.125 -1.626 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.959 11.958 0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 84 4.774 10.445 0.833 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.023 11.364 3.012 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.383 12.446 3.328 1.00 0.00 H new ATOM 1322 N ILE A 85 5.633 8.708 -2.701 1.00 0.00 N ATOM 1323 CA ILE A 85 5.072 7.413 -3.066 1.00 0.00 C ATOM 1324 C ILE A 85 6.123 6.312 -2.969 1.00 0.00 C ATOM 1325 O ILE A 85 5.851 5.222 -2.465 1.00 0.00 O ATOM 1326 CB ILE A 85 4.494 7.431 -4.493 1.00 0.00 C ATOM 1327 CG1 ILE A 85 3.388 8.483 -4.605 1.00 0.00 C ATOM 1328 CG2 ILE A 85 3.964 6.056 -4.868 1.00 0.00 C ATOM 1329 CD1 ILE A 85 2.884 8.681 -6.017 1.00 0.00 C ATOM 0 H ILE A 85 5.744 9.355 -3.482 1.00 0.00 H new ATOM 0 HA ILE A 85 4.267 7.208 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 85 5.291 7.693 -5.189 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.554 8.191 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.762 9.434 -4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.559 6.086 -5.879 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.775 5.329 -4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.178 5.766 -4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.102 9.440 -6.021 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.707 9.004 -6.655 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.480 7.742 -6.394 1.00 0.00 H new ATOM 1341 N SER A 86 7.325 6.605 -3.455 1.00 0.00 N ATOM 1342 CA SER A 86 8.417 5.639 -3.425 1.00 0.00 C ATOM 1343 C SER A 86 8.703 5.185 -1.997 1.00 0.00 C ATOM 1344 O SER A 86 8.742 3.989 -1.711 1.00 0.00 O ATOM 1345 CB SER A 86 9.679 6.245 -4.042 1.00 0.00 C ATOM 1346 OG SER A 86 10.748 5.314 -4.037 1.00 0.00 O ATOM 0 H SER A 86 7.567 7.503 -3.874 1.00 0.00 H new ATOM 0 HA SER A 86 8.116 4.770 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.472 6.560 -5.065 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.967 7.137 -3.486 1.00 0.00 H new ATOM 0 HG SER A 86 11.542 5.725 -4.438 1.00 0.00 H new ATOM 1352 N GLN A 87 8.903 6.150 -1.105 1.00 0.00 N ATOM 1353 CA GLN A 87 9.186 5.851 0.294 1.00 0.00 C ATOM 1354 C GLN A 87 8.319 4.698 0.790 1.00 0.00 C ATOM 1355 O GLN A 87 8.769 3.863 1.575 1.00 0.00 O ATOM 1356 CB GLN A 87 8.951 7.090 1.160 1.00 0.00 C ATOM 1357 CG GLN A 87 9.782 8.292 0.740 1.00 0.00 C ATOM 1358 CD GLN A 87 10.110 9.209 1.902 1.00 0.00 C ATOM 1359 OE1 GLN A 87 11.181 9.109 2.503 1.00 0.00 O ATOM 1360 NE2 GLN A 87 9.189 10.109 2.224 1.00 0.00 N ATOM 0 H GLN A 87 8.874 7.145 -1.326 1.00 0.00 H new ATOM 0 HA GLN A 87 10.232 5.555 0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.895 7.357 1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 87 9.178 6.846 2.198 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.709 7.946 0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.241 8.855 -0.021 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.316 10.156 1.698 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.354 10.754 2.997 1.00 0.00 H new ATOM 1369 N PHE A 88 7.075 4.657 0.326 1.00 0.00 N ATOM 1370 CA PHE A 88 6.144 3.607 0.723 1.00 0.00 C ATOM 1371 C PHE A 88 6.518 2.277 0.077 1.00 0.00 C ATOM 1372 O PHE A 88 6.635 1.255 0.755 1.00 0.00 O ATOM 1373 CB PHE A 88 4.714 3.991 0.338 1.00 0.00 C ATOM 1374 CG PHE A 88 3.794 2.812 0.200 1.00 0.00 C ATOM 1375 CD1 PHE A 88 3.565 1.965 1.272 1.00 0.00 C ATOM 1376 CD2 PHE A 88 3.157 2.551 -1.003 1.00 0.00 C ATOM 1377 CE1 PHE A 88 2.720 0.879 1.147 1.00 0.00 C ATOM 1378 CE2 PHE A 88 2.310 1.467 -1.134 1.00 0.00 C ATOM 1379 CZ PHE A 88 2.090 0.630 -0.057 1.00 0.00 C ATOM 0 H PHE A 88 6.688 5.339 -0.326 1.00 0.00 H new ATOM 0 HA PHE A 88 6.202 3.494 1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 88 4.313 4.669 1.092 1.00 0.00 H new ATOM 0 HB3 PHE A 88 4.734 4.538 -0.604 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.053 2.156 2.217 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.325 3.202 -1.848 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.552 0.225 1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.821 1.274 -2.077 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.427 -0.217 -0.156 1.00 0.00 H new ATOM 1389 N LEU A 89 6.702 2.296 -1.239 1.00 0.00 N ATOM 1390 CA LEU A 89 7.062 1.092 -1.979 1.00 0.00 C ATOM 1391 C LEU A 89 8.284 0.418 -1.363 1.00 0.00 C ATOM 1392 O LEU A 89 8.243 -0.761 -1.013 1.00 0.00 O ATOM 1393 CB LEU A 89 7.338 1.434 -3.444 1.00 0.00 C ATOM 1394 CG LEU A 89 6.203 2.129 -4.197 1.00 0.00 C ATOM 1395 CD1 LEU A 89 6.694 2.651 -5.538 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.030 1.179 -4.389 1.00 0.00 C ATOM 0 H LEU A 89 6.608 3.132 -1.815 1.00 0.00 H new ATOM 0 HA LEU A 89 6.223 0.398 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.220 2.073 -3.487 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.586 0.512 -3.971 1.00 0.00 H new ATOM 0 HG LEU A 89 5.864 2.977 -3.602 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.873 3.142 -6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.501 3.366 -5.377 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.061 1.820 -6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.232 1.691 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.355 0.311 -4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.662 0.854 -3.416 1.00 0.00 H new ATOM 1408 N GLN A 90 9.367 1.176 -1.232 1.00 0.00 N ATOM 1409 CA GLN A 90 10.600 0.652 -0.656 1.00 0.00 C ATOM 1410 C GLN A 90 10.300 -0.352 0.451 1.00 0.00 C ATOM 1411 O GLN A 90 10.911 -1.418 0.518 1.00 0.00 O ATOM 1412 CB GLN A 90 11.457 1.794 -0.106 1.00 0.00 C ATOM 1413 CG GLN A 90 12.138 2.619 -1.187 1.00 0.00 C ATOM 1414 CD GLN A 90 13.244 1.857 -1.892 1.00 0.00 C ATOM 1415 OE1 GLN A 90 12.875 1.071 -2.896 1.00 0.00 O flip ATOM 1416 NE2 GLN A 90 14.417 1.975 -1.537 1.00 0.00 N flip ATOM 0 H GLN A 90 9.416 2.154 -1.517 1.00 0.00 H new ATOM 0 HA GLN A 90 11.151 0.141 -1.445 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.830 2.449 0.498 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.217 1.380 0.557 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.395 2.935 -1.920 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.552 3.524 -0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 90 14.655 2.591 -0.760 1.00 0.00 H new ATOM 0 HE22 GLN A 90 15.151 1.457 -2.020 1.00 0.00 H new ATOM 1425 N ALA A 91 9.355 -0.004 1.319 1.00 0.00 N ATOM 1426 CA ALA A 91 8.973 -0.876 2.422 1.00 0.00 C ATOM 1427 C ALA A 91 7.934 -1.901 1.978 1.00 0.00 C ATOM 1428 O ALA A 91 7.969 -3.057 2.399 1.00 0.00 O ATOM 1429 CB ALA A 91 8.441 -0.053 3.586 1.00 0.00 C ATOM 0 H ALA A 91 8.840 0.876 1.279 1.00 0.00 H new ATOM 0 HA ALA A 91 9.861 -1.416 2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.159 -0.718 4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 91 9.214 0.635 3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.568 0.514 3.262 1.00 0.00 H new ATOM 1435 N ALA A 92 7.010 -1.468 1.126 1.00 0.00 N ATOM 1436 CA ALA A 92 5.962 -2.348 0.624 1.00 0.00 C ATOM 1437 C ALA A 92 6.548 -3.656 0.100 1.00 0.00 C ATOM 1438 O ALA A 92 5.929 -4.713 0.216 1.00 0.00 O ATOM 1439 CB ALA A 92 5.165 -1.650 -0.467 1.00 0.00 C ATOM 0 H ALA A 92 6.966 -0.513 0.769 1.00 0.00 H new ATOM 0 HA ALA A 92 5.293 -2.585 1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.386 -2.319 -0.833 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.708 -0.747 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 92 5.829 -1.383 -1.289 1.00 0.00 H new ATOM 1445 N GLU A 93 7.742 -3.575 -0.477 1.00 0.00 N ATOM 1446 CA GLU A 93 8.409 -4.752 -1.020 1.00 0.00 C ATOM 1447 C GLU A 93 9.154 -5.509 0.075 1.00 0.00 C ATOM 1448 O GLU A 93 9.181 -6.740 0.086 1.00 0.00 O ATOM 1449 CB GLU A 93 9.383 -4.349 -2.129 1.00 0.00 C ATOM 1450 CG GLU A 93 10.312 -5.470 -2.561 1.00 0.00 C ATOM 1451 CD GLU A 93 11.265 -5.047 -3.662 1.00 0.00 C ATOM 1452 OE1 GLU A 93 11.406 -3.827 -3.889 1.00 0.00 O ATOM 1453 OE2 GLU A 93 11.870 -5.937 -4.297 1.00 0.00 O ATOM 0 H GLU A 93 8.267 -2.707 -0.581 1.00 0.00 H new ATOM 0 HA GLU A 93 7.646 -5.409 -1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.814 -4.007 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.981 -3.505 -1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.886 -5.813 -1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.718 -6.317 -2.905 1.00 0.00 H new ATOM 1460 N ARG A 94 9.758 -4.764 0.995 1.00 0.00 N ATOM 1461 CA ARG A 94 10.505 -5.363 2.094 1.00 0.00 C ATOM 1462 C ARG A 94 9.564 -6.043 3.085 1.00 0.00 C ATOM 1463 O ARG A 94 9.992 -6.856 3.905 1.00 0.00 O ATOM 1464 CB ARG A 94 11.338 -4.300 2.813 1.00 0.00 C ATOM 1465 CG ARG A 94 12.663 -4.000 2.131 1.00 0.00 C ATOM 1466 CD ARG A 94 13.702 -3.508 3.126 1.00 0.00 C ATOM 1467 NE ARG A 94 14.962 -3.161 2.474 1.00 0.00 N ATOM 1468 CZ ARG A 94 15.857 -2.332 2.999 1.00 0.00 C ATOM 1469 NH1 ARG A 94 15.632 -1.767 4.177 1.00 0.00 N ATOM 1470 NH2 ARG A 94 16.981 -2.066 2.345 1.00 0.00 N ATOM 0 H ARG A 94 9.745 -3.744 1.001 1.00 0.00 H new ATOM 0 HA ARG A 94 11.173 -6.117 1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.757 -3.380 2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.531 -4.631 3.834 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.030 -4.898 1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.513 -3.247 1.357 1.00 0.00 H new ATOM 0 HD2 ARG A 94 13.315 -2.636 3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 94 13.881 -4.280 3.874 1.00 0.00 H new ATOM 0 HE ARG A 94 15.166 -3.578 1.566 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.770 -1.969 4.683 1.00 0.00 H new ATOM 0 HH12 ARG A 94 16.321 -1.131 4.577 1.00 0.00 H new ATOM 0 HH21 ARG A 94 17.158 -2.498 1.438 1.00 0.00 H new ATOM 0 HH22 ARG A 94 17.668 -1.429 2.749 1.00 0.00 H new ATOM 1484 N TYR A 95 8.283 -5.705 3.002 1.00 0.00 N ATOM 1485 CA TYR A 95 7.282 -6.280 3.893 1.00 0.00 C ATOM 1486 C TYR A 95 6.980 -7.726 3.512 1.00 0.00 C ATOM 1487 O TYR A 95 6.988 -8.618 4.359 1.00 0.00 O ATOM 1488 CB TYR A 95 5.996 -5.451 3.852 1.00 0.00 C ATOM 1489 CG TYR A 95 4.785 -6.187 4.379 1.00 0.00 C ATOM 1490 CD1 TYR A 95 4.662 -6.484 5.731 1.00 0.00 C ATOM 1491 CD2 TYR A 95 3.763 -6.583 3.526 1.00 0.00 C ATOM 1492 CE1 TYR A 95 3.557 -7.157 6.217 1.00 0.00 C ATOM 1493 CE2 TYR A 95 2.654 -7.255 4.003 1.00 0.00 C ATOM 1494 CZ TYR A 95 2.556 -7.540 5.349 1.00 0.00 C ATOM 1495 OH TYR A 95 1.453 -8.208 5.829 1.00 0.00 O ATOM 0 H TYR A 95 7.913 -5.036 2.327 1.00 0.00 H new ATOM 0 HA TYR A 95 7.684 -6.266 4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.141 -4.542 4.436 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.805 -5.143 2.824 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.443 -6.184 6.414 1.00 0.00 H new ATOM 0 HD2 TYR A 95 3.836 -6.362 2.471 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.478 -7.382 7.270 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.868 -7.555 3.326 1.00 0.00 H new ATOM 0 HH TYR A 95 1.673 -9.155 5.954 1.00 0.00 H new ATOM 1505 N GLY A 96 6.714 -7.950 2.228 1.00 0.00 N ATOM 1506 CA GLY A 96 6.414 -9.289 1.756 1.00 0.00 C ATOM 1507 C GLY A 96 5.854 -9.294 0.347 1.00 0.00 C ATOM 1508 O GLY A 96 6.052 -10.251 -0.403 1.00 0.00 O ATOM 0 H GLY A 96 6.701 -7.228 1.507 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.321 -9.893 1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.697 -9.757 2.431 1.00 0.00 H new ATOM 1512 N ILE A 97 5.151 -8.226 -0.012 1.00 0.00 N ATOM 1513 CA ILE A 97 4.560 -8.112 -1.340 1.00 0.00 C ATOM 1514 C ILE A 97 5.586 -8.414 -2.426 1.00 0.00 C ATOM 1515 O ILE A 97 6.789 -8.268 -2.216 1.00 0.00 O ATOM 1516 CB ILE A 97 3.975 -6.707 -1.578 1.00 0.00 C ATOM 1517 CG1 ILE A 97 2.929 -6.379 -0.511 1.00 0.00 C ATOM 1518 CG2 ILE A 97 3.367 -6.615 -2.969 1.00 0.00 C ATOM 1519 CD1 ILE A 97 2.428 -4.953 -0.574 1.00 0.00 C ATOM 0 H ILE A 97 4.976 -7.427 0.598 1.00 0.00 H new ATOM 0 HA ILE A 97 3.755 -8.845 -1.391 1.00 0.00 H new ATOM 0 HB ILE A 97 4.781 -5.977 -1.506 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.083 -7.058 -0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.357 -6.562 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.958 -5.616 -3.122 1.00 0.00 H new ATOM 0 HG22 ILE A 97 4.136 -6.810 -3.716 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.570 -7.352 -3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.689 -4.792 0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.263 -4.267 -0.433 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.970 -4.771 -1.546 1.00 0.00 H new ATOM 1531 N ASN A 98 5.101 -8.835 -3.590 1.00 0.00 N ATOM 1532 CA ASN A 98 5.977 -9.156 -4.712 1.00 0.00 C ATOM 1533 C ASN A 98 5.999 -8.019 -5.728 1.00 0.00 C ATOM 1534 O ASN A 98 4.951 -7.558 -6.184 1.00 0.00 O ATOM 1535 CB ASN A 98 5.521 -10.451 -5.387 1.00 0.00 C ATOM 1536 CG ASN A 98 6.657 -11.168 -6.089 1.00 0.00 C ATOM 1537 OD1 ASN A 98 7.815 -10.759 -5.998 1.00 0.00 O ATOM 1538 ND2 ASN A 98 6.331 -12.245 -6.795 1.00 0.00 N ATOM 0 H ASN A 98 4.107 -8.962 -3.781 1.00 0.00 H new ATOM 0 HA ASN A 98 6.987 -9.292 -4.325 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.084 -11.113 -4.639 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.737 -10.224 -6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 98 7.053 -12.769 -7.289 1.00 0.00 H new ATOM 0 HD22 ASN A 98 5.358 -12.548 -6.843 1.00 0.00 H new ATOM 1545 N THR A 99 7.199 -7.570 -6.081 1.00 0.00 N ATOM 1546 CA THR A 99 7.358 -6.487 -7.043 1.00 0.00 C ATOM 1547 C THR A 99 6.455 -6.691 -8.254 1.00 0.00 C ATOM 1548 O THR A 99 5.746 -5.775 -8.675 1.00 0.00 O ATOM 1549 CB THR A 99 8.818 -6.369 -7.520 1.00 0.00 C ATOM 1550 OG1 THR A 99 9.386 -7.673 -7.687 1.00 0.00 O ATOM 1551 CG2 THR A 99 9.649 -5.572 -6.526 1.00 0.00 C ATOM 0 H THR A 99 8.076 -7.940 -5.715 1.00 0.00 H new ATOM 0 HA THR A 99 7.075 -5.567 -6.532 1.00 0.00 H new ATOM 0 HB THR A 99 8.823 -5.846 -8.476 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.314 -7.589 -7.992 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.676 -5.502 -6.884 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.231 -4.570 -6.423 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.636 -6.072 -5.557 1.00 0.00 H new ATOM 1559 N THR A 100 6.484 -7.897 -8.812 1.00 0.00 N ATOM 1560 CA THR A 100 5.668 -8.220 -9.976 1.00 0.00 C ATOM 1561 C THR A 100 4.294 -7.567 -9.883 1.00 0.00 C ATOM 1562 O THR A 100 3.691 -7.219 -10.899 1.00 0.00 O ATOM 1563 CB THR A 100 5.491 -9.742 -10.132 1.00 0.00 C ATOM 1564 OG1 THR A 100 4.774 -10.270 -9.010 1.00 0.00 O ATOM 1565 CG2 THR A 100 6.840 -10.435 -10.249 1.00 0.00 C ATOM 0 H THR A 100 7.064 -8.666 -8.477 1.00 0.00 H new ATOM 0 HA THR A 100 6.193 -7.831 -10.848 1.00 0.00 H new ATOM 0 HB THR A 100 4.925 -9.927 -11.045 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.664 -11.238 -9.118 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.689 -11.509 -10.358 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.371 -10.053 -11.121 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.428 -10.241 -9.352 1.00 0.00 H new ATOM 1573 N ASP A 101 3.804 -7.402 -8.659 1.00 0.00 N ATOM 1574 CA ASP A 101 2.501 -6.788 -8.433 1.00 0.00 C ATOM 1575 C ASP A 101 2.644 -5.294 -8.160 1.00 0.00 C ATOM 1576 O ASP A 101 1.847 -4.487 -8.638 1.00 0.00 O ATOM 1577 CB ASP A 101 1.789 -7.468 -7.263 1.00 0.00 C ATOM 1578 CG ASP A 101 1.269 -8.846 -7.622 1.00 0.00 C ATOM 1579 OD1 ASP A 101 0.631 -8.980 -8.688 1.00 0.00 O ATOM 1580 OD2 ASP A 101 1.500 -9.790 -6.839 1.00 0.00 O ATOM 0 H ASP A 101 4.290 -7.685 -7.808 1.00 0.00 H new ATOM 0 HA ASP A 101 1.904 -6.918 -9.336 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.477 -7.551 -6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.958 -6.844 -6.935 1.00 0.00 H new ATOM 1585 N ILE A 102 3.663 -4.935 -7.387 1.00 0.00 N ATOM 1586 CA ILE A 102 3.910 -3.538 -7.050 1.00 0.00 C ATOM 1587 C ILE A 102 3.812 -2.649 -8.285 1.00 0.00 C ATOM 1588 O ILE A 102 4.400 -2.945 -9.325 1.00 0.00 O ATOM 1589 CB ILE A 102 5.297 -3.351 -6.406 1.00 0.00 C ATOM 1590 CG1 ILE A 102 5.383 -4.133 -5.094 1.00 0.00 C ATOM 1591 CG2 ILE A 102 5.575 -1.874 -6.168 1.00 0.00 C ATOM 1592 CD1 ILE A 102 6.714 -3.986 -4.389 1.00 0.00 C ATOM 0 H ILE A 102 4.331 -5.591 -6.982 1.00 0.00 H new ATOM 0 HA ILE A 102 3.143 -3.246 -6.333 1.00 0.00 H new ATOM 0 HB ILE A 102 6.054 -3.738 -7.088 1.00 0.00 H new ATOM 0 HG12 ILE A 102 4.589 -3.797 -4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.203 -5.189 -5.297 1.00 0.00 H new ATOM 0 HG21 ILE A 102 6.558 -1.758 -5.713 1.00 0.00 H new ATOM 0 HG22 ILE A 102 5.550 -1.341 -7.119 1.00 0.00 H new ATOM 0 HG23 ILE A 102 4.816 -1.464 -5.502 1.00 0.00 H new ATOM 0 HD11 ILE A 102 6.703 -4.567 -3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.511 -4.349 -5.038 1.00 0.00 H new ATOM 0 HD13 ILE A 102 6.887 -2.936 -4.154 1.00 0.00 H new ATOM 1604 N PHE A 103 3.065 -1.556 -8.162 1.00 0.00 N ATOM 1605 CA PHE A 103 2.889 -0.622 -9.268 1.00 0.00 C ATOM 1606 C PHE A 103 4.088 0.314 -9.384 1.00 0.00 C ATOM 1607 O PHE A 103 5.036 0.225 -8.604 1.00 0.00 O ATOM 1608 CB PHE A 103 1.608 0.192 -9.077 1.00 0.00 C ATOM 1609 CG PHE A 103 1.652 1.108 -7.888 1.00 0.00 C ATOM 1610 CD1 PHE A 103 1.381 0.628 -6.617 1.00 0.00 C ATOM 1611 CD2 PHE A 103 1.964 2.449 -8.041 1.00 0.00 C ATOM 1612 CE1 PHE A 103 1.420 1.469 -5.521 1.00 0.00 C ATOM 1613 CE2 PHE A 103 2.005 3.295 -6.949 1.00 0.00 C ATOM 1614 CZ PHE A 103 1.733 2.804 -5.687 1.00 0.00 C ATOM 0 H PHE A 103 2.572 -1.296 -7.308 1.00 0.00 H new ATOM 0 HA PHE A 103 2.810 -1.199 -10.190 1.00 0.00 H new ATOM 0 HB2 PHE A 103 1.425 0.783 -9.974 1.00 0.00 H new ATOM 0 HB3 PHE A 103 0.766 -0.491 -8.968 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.137 -0.415 -6.481 1.00 0.00 H new ATOM 0 HD2 PHE A 103 2.178 2.838 -9.026 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.206 1.083 -4.535 1.00 0.00 H new ATOM 0 HE2 PHE A 103 2.249 4.339 -7.082 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.765 3.463 -4.832 1.00 0.00 H new ATOM 1624 N GLN A 104 4.038 1.211 -10.364 1.00 0.00 N ATOM 1625 CA GLN A 104 5.121 2.163 -10.583 1.00 0.00 C ATOM 1626 C GLN A 104 4.754 3.539 -10.038 1.00 0.00 C ATOM 1627 O GLN A 104 3.646 4.031 -10.255 1.00 0.00 O ATOM 1628 CB GLN A 104 5.446 2.263 -12.075 1.00 0.00 C ATOM 1629 CG GLN A 104 6.445 1.221 -12.551 1.00 0.00 C ATOM 1630 CD GLN A 104 7.656 1.117 -11.646 1.00 0.00 C ATOM 1631 OE1 GLN A 104 7.736 0.230 -10.796 1.00 0.00 O ATOM 1632 NE2 GLN A 104 8.608 2.026 -11.823 1.00 0.00 N ATOM 0 H GLN A 104 3.260 1.298 -11.018 1.00 0.00 H new ATOM 0 HA GLN A 104 6.001 1.803 -10.049 1.00 0.00 H new ATOM 0 HB2 GLN A 104 4.524 2.158 -12.647 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.841 3.257 -12.286 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.953 0.250 -12.606 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.771 1.471 -13.561 1.00 0.00 H new ATOM 0 HE21 GLN A 104 8.501 2.744 -12.540 1.00 0.00 H new ATOM 0 HE22 GLN A 104 9.446 2.006 -11.242 1.00 0.00 H new ATOM 1641 N THR A 105 5.692 4.158 -9.326 1.00 0.00 N ATOM 1642 CA THR A 105 5.467 5.476 -8.748 1.00 0.00 C ATOM 1643 C THR A 105 4.608 6.340 -9.665 1.00 0.00 C ATOM 1644 O THR A 105 3.624 6.938 -9.229 1.00 0.00 O ATOM 1645 CB THR A 105 6.797 6.203 -8.473 1.00 0.00 C ATOM 1646 OG1 THR A 105 7.588 5.445 -7.552 1.00 0.00 O ATOM 1647 CG2 THR A 105 6.547 7.594 -7.910 1.00 0.00 C ATOM 0 H THR A 105 6.615 3.766 -9.137 1.00 0.00 H new ATOM 0 HA THR A 105 4.944 5.322 -7.804 1.00 0.00 H new ATOM 0 HB THR A 105 7.334 6.302 -9.417 1.00 0.00 H new ATOM 0 HG1 THR A 105 8.432 5.913 -7.384 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.501 8.088 -7.724 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.970 8.178 -8.627 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.991 7.514 -6.976 1.00 0.00 H new ATOM 1655 N VAL A 106 4.987 6.401 -10.937 1.00 0.00 N ATOM 1656 CA VAL A 106 4.250 7.191 -11.917 1.00 0.00 C ATOM 1657 C VAL A 106 2.870 6.597 -12.175 1.00 0.00 C ATOM 1658 O VAL A 106 1.884 7.324 -12.300 1.00 0.00 O ATOM 1659 CB VAL A 106 5.014 7.286 -13.251 1.00 0.00 C ATOM 1660 CG1 VAL A 106 5.037 5.935 -13.950 1.00 0.00 C ATOM 1661 CG2 VAL A 106 4.394 8.348 -14.145 1.00 0.00 C ATOM 0 H VAL A 106 5.800 5.913 -11.314 1.00 0.00 H new ATOM 0 HA VAL A 106 4.140 8.191 -11.499 1.00 0.00 H new ATOM 0 HB VAL A 106 6.043 7.577 -13.041 1.00 0.00 H new ATOM 0 HG11 VAL A 106 5.581 6.021 -14.891 1.00 0.00 H new ATOM 0 HG12 VAL A 106 5.531 5.203 -13.311 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.016 5.611 -14.150 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.946 8.402 -15.083 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.355 8.090 -14.350 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.436 9.315 -13.644 1.00 0.00 H new ATOM 1671 N ASP A 107 2.807 5.273 -12.254 1.00 0.00 N ATOM 1672 CA ASP A 107 1.547 4.580 -12.497 1.00 0.00 C ATOM 1673 C ASP A 107 0.420 5.200 -11.678 1.00 0.00 C ATOM 1674 O ASP A 107 -0.717 5.300 -12.142 1.00 0.00 O ATOM 1675 CB ASP A 107 1.684 3.095 -12.156 1.00 0.00 C ATOM 1676 CG ASP A 107 0.556 2.263 -12.734 1.00 0.00 C ATOM 1677 OD1 ASP A 107 -0.605 2.721 -12.687 1.00 0.00 O ATOM 1678 OD2 ASP A 107 0.834 1.153 -13.235 1.00 0.00 O ATOM 0 H ASP A 107 3.614 4.657 -12.153 1.00 0.00 H new ATOM 0 HA ASP A 107 1.302 4.681 -13.554 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.636 2.724 -12.535 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.703 2.974 -11.073 1.00 0.00 H new ATOM 1683 N LEU A 108 0.741 5.616 -10.458 1.00 0.00 N ATOM 1684 CA LEU A 108 -0.245 6.226 -9.573 1.00 0.00 C ATOM 1685 C LEU A 108 -0.189 7.748 -9.663 1.00 0.00 C ATOM 1686 O LEU A 108 -1.220 8.420 -9.619 1.00 0.00 O ATOM 1687 CB LEU A 108 -0.009 5.781 -8.129 1.00 0.00 C ATOM 1688 CG LEU A 108 -0.850 6.484 -7.063 1.00 0.00 C ATOM 1689 CD1 LEU A 108 -2.247 5.886 -7.004 1.00 0.00 C ATOM 1690 CD2 LEU A 108 -0.172 6.394 -5.704 1.00 0.00 C ATOM 0 H LEU A 108 1.677 5.542 -10.059 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.234 5.897 -9.891 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -0.199 4.710 -8.065 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.044 5.933 -7.891 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.939 7.536 -7.334 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.830 6.399 -6.240 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.734 6.003 -7.972 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.179 4.826 -6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.785 6.900 -4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.052 5.347 -5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.807 6.871 -5.753 1.00 0.00 H new ATOM 1702 N TRP A 109 1.019 8.284 -9.790 1.00 0.00 N ATOM 1703 CA TRP A 109 1.209 9.727 -9.889 1.00 0.00 C ATOM 1704 C TRP A 109 0.477 10.290 -11.101 1.00 0.00 C ATOM 1705 O TRP A 109 -0.386 11.157 -10.968 1.00 0.00 O ATOM 1706 CB TRP A 109 2.699 10.061 -9.976 1.00 0.00 C ATOM 1707 CG TRP A 109 3.014 11.474 -9.587 1.00 0.00 C ATOM 1708 CD1 TRP A 109 2.909 12.024 -8.341 1.00 0.00 C ATOM 1709 CD2 TRP A 109 3.485 12.515 -10.449 1.00 0.00 C ATOM 1710 NE1 TRP A 109 3.286 13.345 -8.377 1.00 0.00 N ATOM 1711 CE2 TRP A 109 3.644 13.670 -9.659 1.00 0.00 C ATOM 1712 CE3 TRP A 109 3.788 12.585 -11.811 1.00 0.00 C ATOM 1713 CZ2 TRP A 109 4.092 14.878 -10.187 1.00 0.00 C ATOM 1714 CZ3 TRP A 109 4.233 13.784 -12.335 1.00 0.00 C ATOM 1715 CH2 TRP A 109 4.382 14.917 -11.524 1.00 0.00 C ATOM 0 H TRP A 109 1.882 7.742 -9.827 1.00 0.00 H new ATOM 0 HA TRP A 109 0.793 10.186 -8.992 1.00 0.00 H new ATOM 0 HB2 TRP A 109 3.255 9.381 -9.330 1.00 0.00 H new ATOM 0 HB3 TRP A 109 3.044 9.886 -10.995 1.00 0.00 H new ATOM 0 HD1 TRP A 109 2.578 11.498 -7.458 1.00 0.00 H new ATOM 0 HE1 TRP A 109 3.297 13.980 -7.579 1.00 0.00 H new ATOM 0 HE3 TRP A 109 3.676 11.717 -12.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 4.207 15.753 -9.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 4.470 13.849 -13.387 1.00 0.00 H new ATOM 0 HH2 TRP A 109 4.733 15.839 -11.963 1.00 0.00 H new ATOM 1726 N GLU A 110 0.827 9.792 -12.283 1.00 0.00 N ATOM 1727 CA GLU A 110 0.202 10.249 -13.519 1.00 0.00 C ATOM 1728 C GLU A 110 -1.118 9.522 -13.761 1.00 0.00 C ATOM 1729 O GLU A 110 -1.915 9.927 -14.607 1.00 0.00 O ATOM 1730 CB GLU A 110 1.144 10.027 -14.705 1.00 0.00 C ATOM 1731 CG GLU A 110 2.085 11.192 -14.960 1.00 0.00 C ATOM 1732 CD GLU A 110 1.421 12.323 -15.720 1.00 0.00 C ATOM 1733 OE1 GLU A 110 1.076 12.120 -16.903 1.00 0.00 O ATOM 1734 OE2 GLU A 110 1.246 13.411 -15.133 1.00 0.00 O ATOM 0 H GLU A 110 1.539 9.073 -12.411 1.00 0.00 H new ATOM 0 HA GLU A 110 -0.002 11.315 -13.421 1.00 0.00 H new ATOM 0 HB2 GLU A 110 1.733 9.127 -14.527 1.00 0.00 H new ATOM 0 HB3 GLU A 110 0.550 9.847 -15.601 1.00 0.00 H new ATOM 0 HG2 GLU A 110 2.457 11.569 -14.007 1.00 0.00 H new ATOM 0 HG3 GLU A 110 2.949 10.839 -15.523 1.00 0.00 H new ATOM 1741 N GLY A 111 -1.341 8.447 -13.013 1.00 0.00 N ATOM 1742 CA GLY A 111 -2.565 7.680 -13.161 1.00 0.00 C ATOM 1743 C GLY A 111 -2.589 6.869 -14.441 1.00 0.00 C ATOM 1744 O GLY A 111 -3.649 6.651 -15.028 1.00 0.00 O ATOM 0 H GLY A 111 -0.696 8.093 -12.307 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.676 7.010 -12.308 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.419 8.358 -13.148 1.00 0.00 H new ATOM 1748 N LYS A 112 -1.417 6.419 -14.877 1.00 0.00 N ATOM 1749 CA LYS A 112 -1.306 5.627 -16.096 1.00 0.00 C ATOM 1750 C LYS A 112 -2.176 4.377 -16.013 1.00 0.00 C ATOM 1751 O LYS A 112 -2.934 4.076 -16.934 1.00 0.00 O ATOM 1752 CB LYS A 112 0.152 5.231 -16.340 1.00 0.00 C ATOM 1753 CG LYS A 112 0.978 6.324 -16.997 1.00 0.00 C ATOM 1754 CD LYS A 112 2.449 5.951 -17.056 1.00 0.00 C ATOM 1755 CE LYS A 112 3.178 6.729 -18.142 1.00 0.00 C ATOM 1756 NZ LYS A 112 4.446 6.061 -18.546 1.00 0.00 N ATOM 0 H LYS A 112 -0.530 6.590 -14.403 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.655 6.237 -16.929 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.611 4.963 -15.388 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.178 4.341 -16.968 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.607 6.505 -18.006 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.860 7.254 -16.442 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.915 6.149 -16.090 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.547 4.882 -17.244 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.529 6.833 -19.012 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.396 7.735 -17.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.913 6.622 -19.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 5.076 5.984 -17.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.236 5.110 -18.911 1.00 0.00 H new ATOM 1770 N ASN A 113 -2.063 3.655 -14.904 1.00 0.00 N ATOM 1771 CA ASN A 113 -2.841 2.438 -14.701 1.00 0.00 C ATOM 1772 C ASN A 113 -3.454 2.410 -13.305 1.00 0.00 C ATOM 1773 O ASN A 113 -2.910 1.796 -12.388 1.00 0.00 O ATOM 1774 CB ASN A 113 -1.960 1.204 -14.907 1.00 0.00 C ATOM 1775 CG ASN A 113 -1.863 0.800 -16.366 1.00 0.00 C ATOM 1776 OD1 ASN A 113 -1.780 1.649 -17.253 1.00 0.00 O ATOM 1777 ND2 ASN A 113 -1.874 -0.504 -16.620 1.00 0.00 N ATOM 0 H ASN A 113 -1.440 3.891 -14.131 1.00 0.00 H new ATOM 0 HA ASN A 113 -3.648 2.427 -15.433 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -0.961 1.406 -14.521 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -2.363 0.373 -14.329 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -1.812 -0.837 -17.582 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -1.944 -1.172 -15.853 1.00 0.00 H new ATOM 1784 N MET A 114 -4.592 3.081 -13.151 1.00 0.00 N ATOM 1785 CA MET A 114 -5.281 3.132 -11.866 1.00 0.00 C ATOM 1786 C MET A 114 -5.654 1.730 -11.394 1.00 0.00 C ATOM 1787 O MET A 114 -6.052 1.538 -10.245 1.00 0.00 O ATOM 1788 CB MET A 114 -6.536 3.999 -11.971 1.00 0.00 C ATOM 1789 CG MET A 114 -6.295 5.462 -11.635 1.00 0.00 C ATOM 1790 SD MET A 114 -6.558 5.825 -9.888 1.00 0.00 S ATOM 1791 CE MET A 114 -5.098 5.083 -9.164 1.00 0.00 C ATOM 0 H MET A 114 -5.056 3.596 -13.899 1.00 0.00 H new ATOM 0 HA MET A 114 -4.604 3.574 -11.135 1.00 0.00 H new ATOM 0 HB2 MET A 114 -6.933 3.928 -12.984 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.299 3.602 -11.301 1.00 0.00 H new ATOM 0 HG2 MET A 114 -5.275 5.730 -11.908 1.00 0.00 H new ATOM 0 HG3 MET A 114 -6.960 6.083 -12.235 1.00 0.00 H new ATOM 0 HE1 MET A 114 -4.964 5.458 -8.149 1.00 0.00 H new ATOM 0 HE2 MET A 114 -5.215 4.000 -9.138 1.00 0.00 H new ATOM 0 HE3 MET A 114 -4.224 5.339 -9.764 1.00 0.00 H new ATOM 1801 N ALA A 115 -5.524 0.755 -12.287 1.00 0.00 N ATOM 1802 CA ALA A 115 -5.847 -0.628 -11.961 1.00 0.00 C ATOM 1803 C ALA A 115 -4.607 -1.386 -11.498 1.00 0.00 C ATOM 1804 O ALA A 115 -4.708 -2.489 -10.958 1.00 0.00 O ATOM 1805 CB ALA A 115 -6.475 -1.321 -13.161 1.00 0.00 C ATOM 0 H ALA A 115 -5.197 0.898 -13.243 1.00 0.00 H new ATOM 0 HA ALA A 115 -6.566 -0.624 -11.142 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.711 -2.353 -12.903 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -7.389 -0.800 -13.445 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -5.775 -1.307 -13.997 1.00 0.00 H new ATOM 1811 N CYS A 116 -3.440 -0.790 -11.714 1.00 0.00 N ATOM 1812 CA CYS A 116 -2.180 -1.411 -11.320 1.00 0.00 C ATOM 1813 C CYS A 116 -1.941 -1.253 -9.822 1.00 0.00 C ATOM 1814 O CYS A 116 -1.703 -2.232 -9.114 1.00 0.00 O ATOM 1815 CB CYS A 116 -1.018 -0.795 -12.102 1.00 0.00 C ATOM 1816 SG CYS A 116 -0.648 -1.638 -13.658 1.00 0.00 S ATOM 0 H CYS A 116 -3.340 0.122 -12.160 1.00 0.00 H new ATOM 0 HA CYS A 116 -2.240 -2.475 -11.550 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -1.249 0.249 -12.313 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -0.126 -0.804 -11.475 1.00 0.00 H new ATOM 0 HG CYS A 116 0.188 -0.923 -14.351 1.00 0.00 H new ATOM 1822 N VAL A 117 -2.003 -0.013 -9.346 1.00 0.00 N ATOM 1823 CA VAL A 117 -1.793 0.273 -7.932 1.00 0.00 C ATOM 1824 C VAL A 117 -2.926 -0.290 -7.082 1.00 0.00 C ATOM 1825 O VAL A 117 -2.703 -0.767 -5.970 1.00 0.00 O ATOM 1826 CB VAL A 117 -1.679 1.788 -7.677 1.00 0.00 C ATOM 1827 CG1 VAL A 117 -2.709 2.547 -8.501 1.00 0.00 C ATOM 1828 CG2 VAL A 117 -1.841 2.092 -6.196 1.00 0.00 C ATOM 0 H VAL A 117 -2.197 0.809 -9.919 1.00 0.00 H new ATOM 0 HA VAL A 117 -0.857 -0.208 -7.648 1.00 0.00 H new ATOM 0 HB VAL A 117 -0.687 2.117 -7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -2.614 3.616 -8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -2.542 2.353 -9.561 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.710 2.217 -8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.758 3.167 -6.034 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.819 1.749 -5.859 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.062 1.579 -5.632 1.00 0.00 H new ATOM 1838 N GLN A 118 -4.143 -0.232 -7.615 1.00 0.00 N ATOM 1839 CA GLN A 118 -5.312 -0.737 -6.904 1.00 0.00 C ATOM 1840 C GLN A 118 -5.075 -2.159 -6.408 1.00 0.00 C ATOM 1841 O GLN A 118 -5.609 -2.563 -5.375 1.00 0.00 O ATOM 1842 CB GLN A 118 -6.542 -0.699 -7.812 1.00 0.00 C ATOM 1843 CG GLN A 118 -7.290 0.624 -7.770 1.00 0.00 C ATOM 1844 CD GLN A 118 -8.277 0.700 -6.622 1.00 0.00 C ATOM 1845 OE1 GLN A 118 -9.205 -0.249 -6.575 1.00 0.00 O flip ATOM 1846 NE2 GLN A 118 -8.207 1.602 -5.787 1.00 0.00 N flip ATOM 0 H GLN A 118 -4.345 0.159 -8.535 1.00 0.00 H new ATOM 0 HA GLN A 118 -5.486 -0.095 -6.040 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -6.232 -0.899 -8.838 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -7.222 -1.500 -7.522 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -6.573 1.440 -7.682 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -7.821 0.767 -8.711 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -7.477 2.311 -5.862 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -8.879 1.641 -5.020 1.00 0.00 H new ATOM 1855 N ARG A 119 -4.271 -2.914 -7.150 1.00 0.00 N ATOM 1856 CA ARG A 119 -3.965 -4.292 -6.785 1.00 0.00 C ATOM 1857 C ARG A 119 -2.893 -4.342 -5.700 1.00 0.00 C ATOM 1858 O ARG A 119 -3.063 -5.001 -4.674 1.00 0.00 O ATOM 1859 CB ARG A 119 -3.498 -5.075 -8.014 1.00 0.00 C ATOM 1860 CG ARG A 119 -3.121 -6.515 -7.711 1.00 0.00 C ATOM 1861 CD ARG A 119 -3.279 -7.403 -8.936 1.00 0.00 C ATOM 1862 NE ARG A 119 -4.657 -7.856 -9.108 1.00 0.00 N ATOM 1863 CZ ARG A 119 -5.077 -8.546 -10.163 1.00 0.00 C ATOM 1864 NH1 ARG A 119 -4.230 -8.861 -11.133 1.00 0.00 N ATOM 1865 NH2 ARG A 119 -6.346 -8.923 -10.248 1.00 0.00 N ATOM 0 H ARG A 119 -3.820 -2.595 -8.007 1.00 0.00 H new ATOM 0 HA ARG A 119 -4.874 -4.749 -6.395 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.290 -5.066 -8.763 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.639 -4.568 -8.452 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.089 -6.556 -7.361 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.747 -6.894 -6.903 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -2.964 -6.855 -9.824 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -2.622 -8.268 -8.845 1.00 0.00 H new ATOM 0 HE ARG A 119 -5.333 -7.630 -8.379 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -3.253 -8.574 -11.071 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -4.555 -9.391 -11.942 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -7.000 -8.683 -9.503 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -6.667 -9.453 -11.058 1.00 0.00 H new ATOM 1879 N THR A 120 -1.788 -3.640 -5.933 1.00 0.00 N ATOM 1880 CA THR A 120 -0.689 -3.606 -4.978 1.00 0.00 C ATOM 1881 C THR A 120 -1.197 -3.345 -3.564 1.00 0.00 C ATOM 1882 O THR A 120 -0.699 -3.924 -2.598 1.00 0.00 O ATOM 1883 CB THR A 120 0.344 -2.524 -5.347 1.00 0.00 C ATOM 1884 OG1 THR A 120 0.950 -2.836 -6.607 1.00 0.00 O ATOM 1885 CG2 THR A 120 1.417 -2.412 -4.276 1.00 0.00 C ATOM 0 H THR A 120 -1.631 -3.087 -6.776 1.00 0.00 H new ATOM 0 HA THR A 120 -0.209 -4.584 -5.015 1.00 0.00 H new ATOM 0 HB THR A 120 -0.174 -1.568 -5.420 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.907 -3.803 -6.760 1.00 0.00 H new ATOM 0 HG21 THR A 120 2.135 -1.642 -4.559 1.00 0.00 H new ATOM 0 HG22 THR A 120 0.955 -2.146 -3.325 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.931 -3.368 -4.175 1.00 0.00 H new ATOM 1893 N LEU A 121 -2.191 -2.471 -3.450 1.00 0.00 N ATOM 1894 CA LEU A 121 -2.768 -2.134 -2.153 1.00 0.00 C ATOM 1895 C LEU A 121 -3.488 -3.335 -1.549 1.00 0.00 C ATOM 1896 O LEU A 121 -3.245 -3.703 -0.400 1.00 0.00 O ATOM 1897 CB LEU A 121 -3.739 -0.960 -2.294 1.00 0.00 C ATOM 1898 CG LEU A 121 -3.125 0.370 -2.731 1.00 0.00 C ATOM 1899 CD1 LEU A 121 -4.142 1.494 -2.607 1.00 0.00 C ATOM 1900 CD2 LEU A 121 -1.883 0.680 -1.908 1.00 0.00 C ATOM 0 H LEU A 121 -2.614 -1.983 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 121 -1.956 -1.847 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.509 -1.236 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -4.238 -0.810 -1.336 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.832 0.286 -3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -3.687 2.433 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -5.003 1.277 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -4.466 1.578 -1.570 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.459 1.630 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -2.152 0.744 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -1.147 -0.112 -2.047 1.00 0.00 H new ATOM 1912 N MET A 122 -4.374 -3.942 -2.331 1.00 0.00 N ATOM 1913 CA MET A 122 -5.127 -5.104 -1.874 1.00 0.00 C ATOM 1914 C MET A 122 -4.194 -6.164 -1.297 1.00 0.00 C ATOM 1915 O MET A 122 -4.549 -6.869 -0.353 1.00 0.00 O ATOM 1916 CB MET A 122 -5.941 -5.697 -3.025 1.00 0.00 C ATOM 1917 CG MET A 122 -7.236 -4.951 -3.301 1.00 0.00 C ATOM 1918 SD MET A 122 -8.297 -4.841 -1.847 1.00 0.00 S ATOM 1919 CE MET A 122 -8.922 -6.517 -1.756 1.00 0.00 C ATOM 0 H MET A 122 -4.588 -3.649 -3.284 1.00 0.00 H new ATOM 0 HA MET A 122 -5.808 -4.777 -1.088 1.00 0.00 H new ATOM 0 HB2 MET A 122 -5.331 -5.696 -3.928 1.00 0.00 H new ATOM 0 HB3 MET A 122 -6.172 -6.738 -2.797 1.00 0.00 H new ATOM 0 HG2 MET A 122 -7.004 -3.946 -3.654 1.00 0.00 H new ATOM 0 HG3 MET A 122 -7.776 -5.453 -4.103 1.00 0.00 H new ATOM 0 HE1 MET A 122 -10.011 -6.497 -1.714 1.00 0.00 H new ATOM 0 HE2 MET A 122 -8.603 -7.073 -2.638 1.00 0.00 H new ATOM 0 HE3 MET A 122 -8.533 -7.002 -0.861 1.00 0.00 H new ATOM 1929 N ASN A 123 -3.000 -6.270 -1.870 1.00 0.00 N ATOM 1930 CA ASN A 123 -2.016 -7.245 -1.413 1.00 0.00 C ATOM 1931 C ASN A 123 -1.571 -6.941 0.014 1.00 0.00 C ATOM 1932 O ASN A 123 -1.459 -7.841 0.847 1.00 0.00 O ATOM 1933 CB ASN A 123 -0.804 -7.254 -2.346 1.00 0.00 C ATOM 1934 CG ASN A 123 -1.099 -7.928 -3.672 1.00 0.00 C ATOM 1935 OD1 ASN A 123 -1.771 -8.958 -3.721 1.00 0.00 O ATOM 1936 ND2 ASN A 123 -0.597 -7.347 -4.756 1.00 0.00 N ATOM 0 H ASN A 123 -2.690 -5.693 -2.652 1.00 0.00 H new ATOM 0 HA ASN A 123 -2.484 -8.229 -1.427 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -0.481 -6.229 -2.527 1.00 0.00 H new ATOM 0 HB3 ASN A 123 0.024 -7.768 -1.857 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -0.763 -7.754 -5.676 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -0.045 -6.494 -4.668 1.00 0.00 H new ATOM 1943 N LEU A 124 -1.320 -5.666 0.290 1.00 0.00 N ATOM 1944 CA LEU A 124 -0.888 -5.241 1.617 1.00 0.00 C ATOM 1945 C LEU A 124 -1.867 -5.714 2.686 1.00 0.00 C ATOM 1946 O LEU A 124 -1.464 -6.125 3.774 1.00 0.00 O ATOM 1947 CB LEU A 124 -0.755 -3.718 1.669 1.00 0.00 C ATOM 1948 CG LEU A 124 0.132 -3.159 2.781 1.00 0.00 C ATOM 1949 CD1 LEU A 124 1.595 -3.469 2.504 1.00 0.00 C ATOM 1950 CD2 LEU A 124 -0.077 -1.659 2.927 1.00 0.00 C ATOM 0 H LEU A 124 -1.408 -4.908 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 124 0.084 -5.691 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -0.363 -3.375 0.712 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.752 -3.290 1.777 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.149 -3.639 3.719 1.00 0.00 H new ATOM 0 HD11 LEU A 124 2.211 -3.063 3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 124 1.734 -4.549 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 124 1.890 -3.018 1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.563 -1.278 3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.176 -1.163 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -1.120 -1.459 3.173 1.00 0.00 H new ATOM 1962 N GLY A 125 -3.157 -5.656 2.368 1.00 0.00 N ATOM 1963 CA GLY A 125 -4.174 -6.083 3.310 1.00 0.00 C ATOM 1964 C GLY A 125 -4.207 -7.589 3.484 1.00 0.00 C ATOM 1965 O GLY A 125 -4.083 -8.095 4.598 1.00 0.00 O ATOM 0 H GLY A 125 -3.515 -5.321 1.474 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -3.991 -5.613 4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -5.150 -5.738 2.968 1.00 0.00 H new ATOM 1969 N GLY A 126 -4.378 -8.307 2.378 1.00 0.00 N ATOM 1970 CA GLY A 126 -4.427 -9.756 2.435 1.00 0.00 C ATOM 1971 C GLY A 126 -3.230 -10.349 3.151 1.00 0.00 C ATOM 1972 O GLY A 126 -3.353 -11.347 3.861 1.00 0.00 O ATOM 0 H GLY A 126 -4.483 -7.911 1.444 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -5.340 -10.066 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -4.475 -10.155 1.422 1.00 0.00 H new ATOM 1976 N LEU A 127 -2.067 -9.735 2.963 1.00 0.00 N ATOM 1977 CA LEU A 127 -0.840 -10.209 3.595 1.00 0.00 C ATOM 1978 C LEU A 127 -0.894 -10.008 5.106 1.00 0.00 C ATOM 1979 O LEU A 127 -0.689 -10.947 5.875 1.00 0.00 O ATOM 1980 CB LEU A 127 0.371 -9.478 3.015 1.00 0.00 C ATOM 1981 CG LEU A 127 0.873 -9.979 1.661 1.00 0.00 C ATOM 1982 CD1 LEU A 127 1.507 -8.844 0.872 1.00 0.00 C ATOM 1983 CD2 LEU A 127 1.864 -11.119 1.848 1.00 0.00 C ATOM 0 H LEU A 127 -1.948 -8.908 2.378 1.00 0.00 H new ATOM 0 HA LEU A 127 -0.744 -11.276 3.392 1.00 0.00 H new ATOM 0 HB2 LEU A 127 0.120 -8.422 2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 127 1.189 -9.547 3.732 1.00 0.00 H new ATOM 0 HG LEU A 127 0.020 -10.354 1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 127 1.858 -9.221 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 127 0.769 -8.059 0.706 1.00 0.00 H new ATOM 0 HD13 LEU A 127 2.349 -8.438 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 127 2.211 -11.463 0.874 1.00 0.00 H new ATOM 0 HD22 LEU A 127 2.715 -10.769 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 127 1.377 -11.942 2.371 1.00 0.00 H new ATOM 1995 N ALA A 128 -1.174 -8.778 5.525 1.00 0.00 N ATOM 1996 CA ALA A 128 -1.259 -8.455 6.944 1.00 0.00 C ATOM 1997 C ALA A 128 -2.142 -9.456 7.683 1.00 0.00 C ATOM 1998 O ALA A 128 -1.744 -10.011 8.707 1.00 0.00 O ATOM 1999 CB ALA A 128 -1.789 -7.042 7.133 1.00 0.00 C ATOM 0 H ALA A 128 -1.346 -7.989 4.902 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.255 -8.514 7.365 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.847 -6.815 8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.118 -6.334 6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.782 -6.964 6.690 1.00 0.00 H new ATOM 2005 N VAL A 129 -3.341 -9.682 7.157 1.00 0.00 N ATOM 2006 CA VAL A 129 -4.280 -10.616 7.766 1.00 0.00 C ATOM 2007 C VAL A 129 -3.663 -12.003 7.904 1.00 0.00 C ATOM 2008 O VAL A 129 -4.118 -12.819 8.705 1.00 0.00 O ATOM 2009 CB VAL A 129 -5.579 -10.723 6.945 1.00 0.00 C ATOM 2010 CG1 VAL A 129 -6.613 -11.556 7.686 1.00 0.00 C ATOM 2011 CG2 VAL A 129 -6.125 -9.338 6.629 1.00 0.00 C ATOM 0 H VAL A 129 -3.685 -9.231 6.310 1.00 0.00 H new ATOM 0 HA VAL A 129 -4.517 -10.226 8.756 1.00 0.00 H new ATOM 0 HB VAL A 129 -5.352 -11.223 6.003 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -7.523 -11.620 7.090 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -6.219 -12.558 7.856 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -6.839 -11.088 8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -7.043 -9.432 6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -6.336 -8.809 7.559 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -5.387 -8.779 6.053 1.00 0.00 H new ATOM 2021 N ALA A 130 -2.624 -12.264 7.117 1.00 0.00 N ATOM 2022 CA ALA A 130 -1.943 -13.552 7.153 1.00 0.00 C ATOM 2023 C ALA A 130 -0.793 -13.537 8.155 1.00 0.00 C ATOM 2024 O ALA A 130 0.056 -14.428 8.152 1.00 0.00 O ATOM 2025 CB ALA A 130 -1.433 -13.918 5.767 1.00 0.00 C ATOM 0 H ALA A 130 -2.236 -11.600 6.447 1.00 0.00 H new ATOM 0 HA ALA A 130 -2.661 -14.306 7.475 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -0.926 -14.882 5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -2.273 -13.979 5.075 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -0.734 -13.155 5.423 1.00 0.00 H new ATOM 2031 N ARG A 131 -0.772 -12.519 9.009 1.00 0.00 N ATOM 2032 CA ARG A 131 0.275 -12.388 10.015 1.00 0.00 C ATOM 2033 C ARG A 131 -0.281 -12.639 11.414 1.00 0.00 C ATOM 2034 O ARG A 131 -1.471 -12.907 11.581 1.00 0.00 O ATOM 2035 CB ARG A 131 0.905 -10.996 9.948 1.00 0.00 C ATOM 2036 CG ARG A 131 1.221 -10.538 8.533 1.00 0.00 C ATOM 2037 CD ARG A 131 2.616 -10.970 8.107 1.00 0.00 C ATOM 2038 NE ARG A 131 3.631 -9.988 8.480 1.00 0.00 N ATOM 2039 CZ ARG A 131 4.865 -9.984 7.990 1.00 0.00 C ATOM 2040 NH1 ARG A 131 5.236 -10.905 7.111 1.00 0.00 N ATOM 2041 NH2 ARG A 131 5.732 -9.057 8.379 1.00 0.00 N ATOM 0 H ARG A 131 -1.468 -11.773 9.024 1.00 0.00 H new ATOM 0 HA ARG A 131 1.040 -13.136 9.806 1.00 0.00 H new ATOM 0 HB2 ARG A 131 0.228 -10.278 10.411 1.00 0.00 H new ATOM 0 HB3 ARG A 131 1.823 -10.993 10.535 1.00 0.00 H new ATOM 0 HG2 ARG A 131 0.485 -10.950 7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 131 1.141 -9.453 8.474 1.00 0.00 H new ATOM 0 HD2 ARG A 131 2.854 -11.930 8.566 1.00 0.00 H new ATOM 0 HD3 ARG A 131 2.635 -11.119 7.027 1.00 0.00 H new ATOM 0 HE ARG A 131 3.378 -9.266 9.154 1.00 0.00 H new ATOM 0 HH11 ARG A 131 4.573 -11.619 6.810 1.00 0.00 H new ATOM 0 HH12 ARG A 131 6.185 -10.899 6.736 1.00 0.00 H new ATOM 0 HH21 ARG A 131 5.450 -8.347 9.055 1.00 0.00 H new ATOM 0 HH22 ARG A 131 6.680 -9.055 8.002 1.00 0.00 H new ATOM 2055 N ASP A 132 0.588 -12.551 12.415 1.00 0.00 N ATOM 2056 CA ASP A 132 0.185 -12.768 13.799 1.00 0.00 C ATOM 2057 C ASP A 132 0.509 -11.549 14.657 1.00 0.00 C ATOM 2058 O ASP A 132 0.352 -11.577 15.878 1.00 0.00 O ATOM 2059 CB ASP A 132 0.879 -14.006 14.367 1.00 0.00 C ATOM 2060 CG ASP A 132 2.390 -13.882 14.350 1.00 0.00 C ATOM 2061 OD1 ASP A 132 2.905 -12.840 14.809 1.00 0.00 O ATOM 2062 OD2 ASP A 132 3.057 -14.826 13.879 1.00 0.00 O ATOM 0 H ASP A 132 1.576 -12.331 12.293 1.00 0.00 H new ATOM 0 HA ASP A 132 -0.893 -12.926 13.817 1.00 0.00 H new ATOM 0 HB2 ASP A 132 0.542 -14.170 15.391 1.00 0.00 H new ATOM 0 HB3 ASP A 132 0.583 -14.882 13.790 1.00 0.00 H new ATOM 2067 N ASP A 133 0.963 -10.481 14.011 1.00 0.00 N ATOM 2068 CA ASP A 133 1.310 -9.252 14.715 1.00 0.00 C ATOM 2069 C ASP A 133 0.146 -8.771 15.576 1.00 0.00 C ATOM 2070 O ASP A 133 0.341 -8.317 16.703 1.00 0.00 O ATOM 2071 CB ASP A 133 1.707 -8.162 13.717 1.00 0.00 C ATOM 2072 CG ASP A 133 3.167 -8.247 13.316 1.00 0.00 C ATOM 2073 OD1 ASP A 133 4.032 -7.919 14.154 1.00 0.00 O ATOM 2074 OD2 ASP A 133 3.443 -8.644 12.165 1.00 0.00 O ATOM 0 H ASP A 133 1.099 -10.441 13.001 1.00 0.00 H new ATOM 0 HA ASP A 133 2.157 -9.463 15.367 1.00 0.00 H new ATOM 0 HB2 ASP A 133 1.083 -8.244 12.827 1.00 0.00 H new ATOM 0 HB3 ASP A 133 1.510 -7.183 14.155 1.00 0.00 H new ATOM 2079 N GLY A 134 -1.064 -8.873 15.035 1.00 0.00 N ATOM 2080 CA GLY A 134 -2.242 -8.444 15.767 1.00 0.00 C ATOM 2081 C GLY A 134 -2.408 -6.937 15.766 1.00 0.00 C ATOM 2082 O GLY A 134 -2.921 -6.361 16.726 1.00 0.00 O ATOM 0 H GLY A 134 -1.250 -9.245 14.104 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -3.127 -8.904 15.327 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.176 -8.799 16.796 1.00 0.00 H new ATOM 2086 N LEU A 135 -1.972 -6.297 14.687 1.00 0.00 N ATOM 2087 CA LEU A 135 -2.074 -4.846 14.565 1.00 0.00 C ATOM 2088 C LEU A 135 -3.046 -4.460 13.455 1.00 0.00 C ATOM 2089 O LEU A 135 -3.839 -3.530 13.606 1.00 0.00 O ATOM 2090 CB LEU A 135 -0.697 -4.241 14.286 1.00 0.00 C ATOM 2091 CG LEU A 135 0.452 -4.760 15.150 1.00 0.00 C ATOM 2092 CD1 LEU A 135 1.792 -4.351 14.558 1.00 0.00 C ATOM 2093 CD2 LEU A 135 0.319 -4.250 16.577 1.00 0.00 C ATOM 0 H LEU A 135 -1.545 -6.759 13.884 1.00 0.00 H new ATOM 0 HA LEU A 135 -2.453 -4.452 15.508 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -0.448 -4.421 13.240 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -0.764 -3.161 14.416 1.00 0.00 H new ATOM 0 HG LEU A 135 0.404 -5.849 15.169 1.00 0.00 H new ATOM 0 HD11 LEU A 135 2.598 -4.729 15.187 1.00 0.00 H new ATOM 0 HD12 LEU A 135 1.889 -4.766 13.555 1.00 0.00 H new ATOM 0 HD13 LEU A 135 1.851 -3.264 14.508 1.00 0.00 H new ATOM 0 HD21 LEU A 135 1.146 -4.630 17.178 1.00 0.00 H new ATOM 0 HD22 LEU A 135 0.341 -3.160 16.577 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -0.625 -4.594 17.000 1.00 0.00 H new ATOM 2105 N PHE A 136 -2.982 -5.182 12.341 1.00 0.00 N ATOM 2106 CA PHE A 136 -3.858 -4.916 11.206 1.00 0.00 C ATOM 2107 C PHE A 136 -5.237 -4.464 11.677 1.00 0.00 C ATOM 2108 O PHE A 136 -5.856 -5.106 12.526 1.00 0.00 O ATOM 2109 CB PHE A 136 -3.989 -6.165 10.332 1.00 0.00 C ATOM 2110 CG PHE A 136 -5.231 -6.178 9.488 1.00 0.00 C ATOM 2111 CD1 PHE A 136 -6.466 -6.453 10.052 1.00 0.00 C ATOM 2112 CD2 PHE A 136 -5.164 -5.914 8.129 1.00 0.00 C ATOM 2113 CE1 PHE A 136 -7.610 -6.466 9.277 1.00 0.00 C ATOM 2114 CE2 PHE A 136 -6.305 -5.926 7.349 1.00 0.00 C ATOM 2115 CZ PHE A 136 -7.530 -6.201 7.924 1.00 0.00 C ATOM 0 H PHE A 136 -2.333 -5.956 12.200 1.00 0.00 H new ATOM 0 HA PHE A 136 -3.414 -4.114 10.617 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -3.117 -6.237 9.682 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -3.984 -7.048 10.971 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -6.536 -6.660 11.110 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -4.209 -5.696 7.674 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -8.566 -6.683 9.729 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -6.239 -5.720 6.291 1.00 0.00 H new ATOM 0 HZ PHE A 136 -8.423 -6.209 7.317 1.00 0.00 H new ATOM 2125 N SER A 137 -5.712 -3.354 11.121 1.00 0.00 N ATOM 2126 CA SER A 137 -7.016 -2.813 11.487 1.00 0.00 C ATOM 2127 C SER A 137 -8.029 -3.035 10.369 1.00 0.00 C ATOM 2128 O SER A 137 -7.725 -3.663 9.355 1.00 0.00 O ATOM 2129 CB SER A 137 -6.902 -1.319 11.798 1.00 0.00 C ATOM 2130 OG SER A 137 -6.612 -1.104 13.168 1.00 0.00 O ATOM 0 H SER A 137 -5.213 -2.812 10.415 1.00 0.00 H new ATOM 0 HA SER A 137 -7.363 -3.337 12.377 1.00 0.00 H new ATOM 0 HB2 SER A 137 -6.119 -0.875 11.183 1.00 0.00 H new ATOM 0 HB3 SER A 137 -7.834 -0.818 11.537 1.00 0.00 H new ATOM 0 HG SER A 137 -6.543 -0.142 13.341 1.00 0.00 H new ATOM 2136 N GLY A 138 -9.238 -2.515 10.561 1.00 0.00 N ATOM 2137 CA GLY A 138 -10.279 -2.667 9.562 1.00 0.00 C ATOM 2138 C GLY A 138 -10.812 -4.084 9.492 1.00 0.00 C ATOM 2139 O GLY A 138 -10.250 -4.997 10.096 1.00 0.00 O ATOM 0 H GLY A 138 -9.515 -1.991 11.391 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -11.098 -1.985 9.789 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -9.887 -2.381 8.586 1.00 0.00 H new ATOM 2143 N ASP A 139 -11.901 -4.268 8.753 1.00 0.00 N ATOM 2144 CA ASP A 139 -12.512 -5.584 8.606 1.00 0.00 C ATOM 2145 C ASP A 139 -11.546 -6.560 7.941 1.00 0.00 C ATOM 2146 O ASP A 139 -10.957 -6.276 6.898 1.00 0.00 O ATOM 2147 CB ASP A 139 -13.799 -5.484 7.787 1.00 0.00 C ATOM 2148 CG ASP A 139 -14.154 -6.790 7.104 1.00 0.00 C ATOM 2149 OD1 ASP A 139 -14.112 -7.841 7.777 1.00 0.00 O ATOM 2150 OD2 ASP A 139 -14.474 -6.762 5.897 1.00 0.00 O ATOM 0 H ASP A 139 -12.379 -3.522 8.247 1.00 0.00 H new ATOM 0 HA ASP A 139 -12.752 -5.959 9.601 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -14.619 -5.184 8.440 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -13.688 -4.703 7.035 1.00 0.00 H new ATOM 2155 N PRO A 140 -11.377 -7.739 8.559 1.00 0.00 N ATOM 2156 CA PRO A 140 -10.483 -8.781 8.045 1.00 0.00 C ATOM 2157 C PRO A 140 -11.010 -9.417 6.763 1.00 0.00 C ATOM 2158 O PRO A 140 -10.236 -9.827 5.899 1.00 0.00 O ATOM 2159 CB PRO A 140 -10.449 -9.810 9.178 1.00 0.00 C ATOM 2160 CG PRO A 140 -11.733 -9.613 9.906 1.00 0.00 C ATOM 2161 CD PRO A 140 -12.046 -8.146 9.806 1.00 0.00 C ATOM 0 HA PRO A 140 -9.503 -8.383 7.782 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.366 -10.825 8.789 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -9.593 -9.649 9.834 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -12.528 -10.213 9.463 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -11.642 -9.922 10.947 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -13.120 -7.966 9.763 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -11.665 -7.594 10.665 1.00 0.00 H new ATOM 2169 N ASN A 141 -12.331 -9.494 6.647 1.00 0.00 N ATOM 2170 CA ASN A 141 -12.962 -10.081 5.469 1.00 0.00 C ATOM 2171 C ASN A 141 -12.561 -9.326 4.205 1.00 0.00 C ATOM 2172 O ASN A 141 -12.371 -9.926 3.147 1.00 0.00 O ATOM 2173 CB ASN A 141 -14.484 -10.070 5.622 1.00 0.00 C ATOM 2174 CG ASN A 141 -14.977 -11.144 6.573 1.00 0.00 C ATOM 2175 OD1 ASN A 141 -15.238 -12.276 6.167 1.00 0.00 O ATOM 2176 ND2 ASN A 141 -15.107 -10.791 7.847 1.00 0.00 N ATOM 0 H ASN A 141 -12.986 -9.158 7.353 1.00 0.00 H new ATOM 0 HA ASN A 141 -12.620 -11.112 5.379 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -14.803 -9.093 5.985 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -14.946 -10.214 4.645 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -15.435 -11.470 8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -14.879 -9.841 8.139 1.00 0.00 H new ATOM 2183 N TRP A 142 -12.434 -8.010 4.324 1.00 0.00 N ATOM 2184 CA TRP A 142 -12.055 -7.173 3.191 1.00 0.00 C ATOM 2185 C TRP A 142 -11.019 -7.875 2.319 1.00 0.00 C ATOM 2186 O TRP A 142 -11.143 -7.907 1.095 1.00 0.00 O ATOM 2187 CB TRP A 142 -11.504 -5.833 3.681 1.00 0.00 C ATOM 2188 CG TRP A 142 -12.572 -4.876 4.117 1.00 0.00 C ATOM 2189 CD1 TRP A 142 -13.893 -4.911 3.774 1.00 0.00 C ATOM 2190 CD2 TRP A 142 -12.407 -3.741 4.974 1.00 0.00 C ATOM 2191 NE1 TRP A 142 -14.560 -3.866 4.367 1.00 0.00 N ATOM 2192 CE2 TRP A 142 -13.671 -3.134 5.109 1.00 0.00 C ATOM 2193 CE3 TRP A 142 -11.316 -3.180 5.643 1.00 0.00 C ATOM 2194 CZ2 TRP A 142 -13.870 -1.994 5.883 1.00 0.00 C ATOM 2195 CZ3 TRP A 142 -11.515 -2.049 6.411 1.00 0.00 C ATOM 2196 CH2 TRP A 142 -12.784 -1.466 6.527 1.00 0.00 C ATOM 0 H TRP A 142 -12.588 -7.499 5.193 1.00 0.00 H new ATOM 0 HA TRP A 142 -12.946 -6.992 2.590 1.00 0.00 H new ATOM 0 HB2 TRP A 142 -10.823 -6.011 4.514 1.00 0.00 H new ATOM 0 HB3 TRP A 142 -10.919 -5.375 2.883 1.00 0.00 H new ATOM 0 HD1 TRP A 142 -14.347 -5.651 3.131 1.00 0.00 H new ATOM 0 HE1 TRP A 142 -15.556 -3.668 4.270 1.00 0.00 H new ATOM 0 HE3 TRP A 142 -10.334 -3.623 5.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 142 -14.847 -1.542 5.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 142 -10.678 -1.607 6.931 1.00 0.00 H new ATOM 0 HH2 TRP A 142 -12.907 -0.583 7.136 1.00 0.00 H new ATOM 2207 N PHE A 143 -9.997 -8.436 2.957 1.00 0.00 N ATOM 2208 CA PHE A 143 -8.939 -9.136 2.239 1.00 0.00 C ATOM 2209 C PHE A 143 -8.972 -10.631 2.543 1.00 0.00 C ATOM 2210 O PHE A 143 -9.260 -11.056 3.662 1.00 0.00 O ATOM 2211 CB PHE A 143 -7.572 -8.558 2.611 1.00 0.00 C ATOM 2212 CG PHE A 143 -7.540 -7.057 2.628 1.00 0.00 C ATOM 2213 CD1 PHE A 143 -7.246 -6.344 1.476 1.00 0.00 C ATOM 2214 CD2 PHE A 143 -7.804 -6.358 3.794 1.00 0.00 C ATOM 2215 CE1 PHE A 143 -7.216 -4.963 1.489 1.00 0.00 C ATOM 2216 CE2 PHE A 143 -7.775 -4.976 3.813 1.00 0.00 C ATOM 2217 CZ PHE A 143 -7.481 -4.278 2.658 1.00 0.00 C ATOM 0 H PHE A 143 -9.879 -8.419 3.970 1.00 0.00 H new ATOM 0 HA PHE A 143 -9.106 -8.997 1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -7.284 -8.931 3.594 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -6.828 -8.921 1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -7.038 -6.874 0.558 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -8.035 -6.899 4.700 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -6.985 -4.419 0.585 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -7.982 -4.443 4.729 1.00 0.00 H new ATOM 0 HZ PHE A 143 -7.458 -3.198 2.669 1.00 0.00 H new ATOM 2227 N PRO A 144 -8.671 -11.449 1.524 1.00 0.00 N ATOM 2228 CA PRO A 144 -8.659 -12.909 1.657 1.00 0.00 C ATOM 2229 C PRO A 144 -7.505 -13.402 2.522 1.00 0.00 C ATOM 2230 O PRO A 144 -6.604 -12.638 2.869 1.00 0.00 O ATOM 2231 CB PRO A 144 -8.493 -13.395 0.215 1.00 0.00 C ATOM 2232 CG PRO A 144 -7.815 -12.270 -0.488 1.00 0.00 C ATOM 2233 CD PRO A 144 -8.318 -11.011 0.163 1.00 0.00 C ATOM 0 HA PRO A 144 -9.559 -13.282 2.146 1.00 0.00 H new ATOM 0 HB2 PRO A 144 -7.897 -14.306 0.171 1.00 0.00 H new ATOM 0 HB3 PRO A 144 -9.457 -13.622 -0.240 1.00 0.00 H new ATOM 0 HG2 PRO A 144 -6.732 -12.350 -0.398 1.00 0.00 H new ATOM 0 HG3 PRO A 144 -8.048 -12.278 -1.553 1.00 0.00 H new ATOM 0 HD2 PRO A 144 -7.555 -10.233 0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 144 -9.180 -10.603 -0.364 1.00 0.00 H new