USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 754 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 Single : A 6 GLN : amide:sc= -0.73 K(o=-0.73,f=-3.7!) USER MOD Single : A 13 CYS SG : rot -131:sc= -1.89! USER MOD Single : A 14 GLN : amide:sc= -0.134 X(o=-0.13,f=0.021) USER MOD Single : A 16 GLN : amide:sc= -0.151 K(o=-0.15,f=-3.6) USER MOD Single : A 17 THR OG1 : rot 100:sc= 1.22 USER MOD Single : A 20 TYR OH : rot 25:sc= -0.227 USER MOD Single : A 24 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.11) USER MOD Single : A 26 SER OG : rot -58:sc= 1.16 USER MOD Single : A 29 SER OG : rot 180:sc= -1.05 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -106:sc= 0.933 USER MOD Single : A 39 CYS SG : rot 160:sc= -1.32 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -2.23 K(o=-2.2,f=-3.2!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.462 X(o=-0.46,f=0) USER MOD Single : A 64 THR OG1 : rot 78:sc= 0.6 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0917 X(o=-0.092,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -1.46 K(o=-1.5,f=-5.3!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.258 USER MOD Single : A 100 SER OG : rot 180:sc= 0.00257 USER MOD Single : A 101 HIS : no HD1:sc=-0.00957 X(o=-0.0096,f=-0.13) USER MOD Single : A 103 HIS : no HD1:sc= -0.0623 X(o=-0.062,f=-0.46) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N GLN A 6 -0.070 -0.421 -2.729 1.00 0.00 N ATOM 202 CA GLN A 6 -0.533 0.918 -3.071 1.00 0.00 C ATOM 203 C GLN A 6 -1.022 0.981 -4.516 1.00 0.00 C ATOM 204 O GLN A 6 -1.945 1.733 -4.837 1.00 0.00 O ATOM 205 CB GLN A 6 0.587 1.938 -2.852 1.00 0.00 C ATOM 206 CG GLN A 6 0.173 3.120 -1.993 1.00 0.00 C ATOM 207 CD GLN A 6 1.359 3.941 -1.521 1.00 0.00 C ATOM 208 OE1 GLN A 6 1.412 5.152 -1.727 1.00 0.00 O ATOM 209 NE2 GLN A 6 2.319 3.280 -0.883 1.00 0.00 N ATOM 0 HA GLN A 6 -1.371 1.161 -2.417 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.435 1.439 -2.384 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.928 2.305 -3.820 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.503 3.759 -2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.382 2.759 -1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.234 2.275 -0.734 1.00 0.00 H new ATOM 0 HE22 GLN A 6 3.141 3.778 -0.542 1.00 0.00 H new ATOM 218 N GLU A 7 -0.395 0.196 -5.386 1.00 0.00 N ATOM 219 CA GLU A 7 -0.762 0.173 -6.798 1.00 0.00 C ATOM 220 C GLU A 7 -2.151 -0.428 -7.001 1.00 0.00 C ATOM 221 O GLU A 7 -2.977 0.127 -7.726 1.00 0.00 O ATOM 222 CB GLU A 7 0.272 -0.621 -7.601 1.00 0.00 C ATOM 223 CG GLU A 7 0.695 0.063 -8.891 1.00 0.00 C ATOM 224 CD GLU A 7 2.055 0.727 -8.779 1.00 0.00 C ATOM 225 OE1 GLU A 7 3.071 0.039 -9.015 1.00 0.00 O ATOM 226 OE2 GLU A 7 2.101 1.932 -8.456 1.00 0.00 O ATOM 0 H GLU A 7 0.369 -0.432 -5.139 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.782 1.203 -7.155 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.153 -0.786 -6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.139 -1.602 -7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.718 -0.671 -9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.050 0.811 -9.163 1.00 0.00 H new ATOM 233 N GLU A 8 -2.403 -1.564 -6.358 1.00 0.00 N ATOM 234 CA GLU A 8 -3.693 -2.234 -6.475 1.00 0.00 C ATOM 235 C GLU A 8 -4.774 -1.470 -5.715 1.00 0.00 C ATOM 236 O GLU A 8 -5.941 -1.475 -6.103 1.00 0.00 O ATOM 237 CB GLU A 8 -3.600 -3.671 -5.955 1.00 0.00 C ATOM 238 CG GLU A 8 -3.381 -3.766 -4.455 1.00 0.00 C ATOM 239 CD GLU A 8 -3.209 -5.196 -3.980 1.00 0.00 C ATOM 240 OE1 GLU A 8 -2.523 -5.975 -4.676 1.00 0.00 O ATOM 241 OE2 GLU A 8 -3.762 -5.538 -2.913 1.00 0.00 O ATOM 0 H GLU A 8 -1.733 -2.038 -5.752 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.966 -2.259 -7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.517 -4.201 -6.213 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.782 -4.180 -6.465 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.498 -3.188 -4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.228 -3.315 -3.939 1.00 0.00 H new ATOM 248 N LEU A 9 -4.375 -0.816 -4.629 1.00 0.00 N ATOM 249 CA LEU A 9 -5.310 -0.047 -3.815 1.00 0.00 C ATOM 250 C LEU A 9 -5.773 1.205 -4.553 1.00 0.00 C ATOM 251 O LEU A 9 -6.965 1.508 -4.596 1.00 0.00 O ATOM 252 CB LEU A 9 -4.657 0.344 -2.487 1.00 0.00 C ATOM 253 CG LEU A 9 -5.635 0.619 -1.342 1.00 0.00 C ATOM 254 CD1 LEU A 9 -6.428 -0.634 -1.006 1.00 0.00 C ATOM 255 CD2 LEU A 9 -4.889 1.125 -0.117 1.00 0.00 C ATOM 0 H LEU A 9 -3.412 -0.803 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.180 -0.673 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.980 -0.455 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.048 1.234 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.334 1.391 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.118 -0.420 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.991 -0.954 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.744 -1.427 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.599 1.316 0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.168 0.374 0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.365 2.048 -0.365 1.00 0.00 H new ATOM 267 N LEU A 10 -4.822 1.929 -5.134 1.00 0.00 N ATOM 268 CA LEU A 10 -5.132 3.149 -5.873 1.00 0.00 C ATOM 269 C LEU A 10 -6.002 2.848 -7.089 1.00 0.00 C ATOM 270 O LEU A 10 -6.880 3.631 -7.447 1.00 0.00 O ATOM 271 CB LEU A 10 -3.842 3.844 -6.313 1.00 0.00 C ATOM 272 CG LEU A 10 -3.914 5.371 -6.369 1.00 0.00 C ATOM 273 CD1 LEU A 10 -4.943 5.820 -7.393 1.00 0.00 C ATOM 274 CD2 LEU A 10 -4.243 5.938 -4.996 1.00 0.00 C ATOM 0 H LEU A 10 -3.830 1.693 -5.108 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.688 3.812 -5.210 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.042 3.558 -5.629 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.566 3.472 -7.300 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.939 5.751 -6.674 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.980 6.909 -7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.665 5.443 -8.377 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.923 5.430 -7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.290 7.025 -5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.206 5.550 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.469 5.646 -4.287 1.00 0.00 H new ATOM 286 N ARG A 11 -5.750 1.706 -7.722 1.00 0.00 N ATOM 287 CA ARG A 11 -6.511 1.302 -8.900 1.00 0.00 C ATOM 288 C ARG A 11 -7.967 1.024 -8.541 1.00 0.00 C ATOM 289 O ARG A 11 -8.881 1.394 -9.279 1.00 0.00 O ATOM 290 CB ARG A 11 -5.884 0.058 -9.533 1.00 0.00 C ATOM 291 CG ARG A 11 -4.552 0.330 -10.217 1.00 0.00 C ATOM 292 CD ARG A 11 -4.615 0.046 -11.710 1.00 0.00 C ATOM 293 NE ARG A 11 -4.032 1.131 -12.496 1.00 0.00 N ATOM 294 CZ ARG A 11 -4.667 2.265 -12.781 1.00 0.00 C ATOM 295 NH1 ARG A 11 -5.903 2.469 -12.344 1.00 0.00 N ATOM 296 NH2 ARG A 11 -4.064 3.200 -13.503 1.00 0.00 N ATOM 0 H ARG A 11 -5.026 1.045 -7.440 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.484 2.122 -9.618 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.739 -0.699 -8.762 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.579 -0.359 -10.262 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.267 1.370 -10.057 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.777 -0.287 -9.762 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.087 -0.883 -11.925 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.653 -0.101 -12.008 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.082 1.012 -12.847 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.371 1.755 -11.787 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.385 3.340 -12.566 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.113 3.050 -13.840 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.551 4.069 -13.721 1.00 0.00 H new ATOM 310 N TRP A 12 -8.176 0.368 -7.406 1.00 0.00 N ATOM 311 CA TRP A 12 -9.520 0.034 -6.946 1.00 0.00 C ATOM 312 C TRP A 12 -10.298 1.289 -6.562 1.00 0.00 C ATOM 313 O TRP A 12 -11.504 1.377 -6.790 1.00 0.00 O ATOM 314 CB TRP A 12 -9.450 -0.921 -5.754 1.00 0.00 C ATOM 315 CG TRP A 12 -10.795 -1.390 -5.288 1.00 0.00 C ATOM 316 CD1 TRP A 12 -11.422 -2.553 -5.631 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.679 -0.707 -4.392 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.640 -2.635 -5.003 1.00 0.00 N ATOM 319 CE2 TRP A 12 -12.821 -1.513 -4.237 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.613 0.510 -3.705 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -13.889 -1.144 -3.424 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.675 0.876 -2.898 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.799 0.052 -2.763 1.00 0.00 C ATOM 0 H TRP A 12 -7.430 0.056 -6.785 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.044 -0.455 -7.767 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.846 -1.786 -6.026 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -8.941 -0.424 -4.929 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.019 -3.300 -6.299 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.302 -3.406 -5.092 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.750 1.151 -3.803 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.757 -1.778 -3.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.637 1.813 -2.363 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.612 0.366 -2.125 1.00 0.00 H new ATOM 334 N CYS A 13 -9.601 2.255 -5.972 1.00 0.00 N ATOM 335 CA CYS A 13 -10.233 3.502 -5.553 1.00 0.00 C ATOM 336 C CYS A 13 -10.655 4.336 -6.758 1.00 0.00 C ATOM 337 O CYS A 13 -11.768 4.862 -6.801 1.00 0.00 O ATOM 338 CB CYS A 13 -9.279 4.309 -4.670 1.00 0.00 C ATOM 339 SG CYS A 13 -9.163 3.710 -2.968 1.00 0.00 S ATOM 0 H CYS A 13 -8.602 2.199 -5.774 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.126 3.250 -4.980 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.285 4.293 -5.118 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.606 5.349 -4.656 1.00 0.00 H new ATOM 0 HG CYS A 13 -9.304 4.708 -2.146 1.00 0.00 H new ATOM 345 N GLN A 14 -9.762 4.455 -7.735 1.00 0.00 N ATOM 346 CA GLN A 14 -10.047 5.228 -8.939 1.00 0.00 C ATOM 347 C GLN A 14 -11.206 4.617 -9.720 1.00 0.00 C ATOM 348 O GLN A 14 -12.051 5.333 -10.256 1.00 0.00 O ATOM 349 CB GLN A 14 -8.803 5.303 -9.828 1.00 0.00 C ATOM 350 CG GLN A 14 -8.954 6.254 -11.003 1.00 0.00 C ATOM 351 CD GLN A 14 -9.184 5.526 -12.313 1.00 0.00 C ATOM 352 OE1 GLN A 14 -10.313 5.431 -12.795 1.00 0.00 O ATOM 353 NE2 GLN A 14 -8.111 5.007 -12.899 1.00 0.00 N ATOM 0 H GLN A 14 -8.836 4.027 -7.717 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.331 6.235 -8.633 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -7.952 5.618 -9.223 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.575 4.306 -10.205 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -9.789 6.929 -10.815 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.058 6.870 -11.086 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.194 5.109 -12.465 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.204 4.507 -13.783 1.00 0.00 H new ATOM 362 N GLU A 15 -11.239 3.290 -9.777 1.00 0.00 N ATOM 363 CA GLU A 15 -12.297 2.583 -10.490 1.00 0.00 C ATOM 364 C GLU A 15 -13.646 2.789 -9.810 1.00 0.00 C ATOM 365 O GLU A 15 -14.649 3.062 -10.469 1.00 0.00 O ATOM 366 CB GLU A 15 -11.975 1.090 -10.569 1.00 0.00 C ATOM 367 CG GLU A 15 -12.740 0.359 -11.660 1.00 0.00 C ATOM 368 CD GLU A 15 -13.920 -0.423 -11.123 1.00 0.00 C ATOM 369 OE1 GLU A 15 -13.794 -1.013 -10.030 1.00 0.00 O ATOM 370 OE2 GLU A 15 -14.972 -0.445 -11.796 1.00 0.00 O ATOM 0 H GLU A 15 -10.546 2.683 -9.339 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.355 2.990 -11.499 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.906 0.966 -10.741 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.199 0.627 -9.608 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.093 1.081 -12.397 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.064 -0.321 -12.178 1.00 0.00 H new ATOM 377 N GLN A 16 -13.661 2.655 -8.488 1.00 0.00 N ATOM 378 CA GLN A 16 -14.886 2.825 -7.715 1.00 0.00 C ATOM 379 C GLN A 16 -15.336 4.282 -7.711 1.00 0.00 C ATOM 380 O GLN A 16 -16.530 4.573 -7.651 1.00 0.00 O ATOM 381 CB GLN A 16 -14.677 2.341 -6.280 1.00 0.00 C ATOM 382 CG GLN A 16 -14.945 0.856 -6.091 1.00 0.00 C ATOM 383 CD GLN A 16 -16.424 0.525 -6.108 1.00 0.00 C ATOM 384 OE1 GLN A 16 -17.250 1.337 -6.523 1.00 0.00 O ATOM 385 NE2 GLN A 16 -16.766 -0.675 -5.653 1.00 0.00 N ATOM 0 H GLN A 16 -12.838 2.429 -7.929 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.666 2.227 -8.186 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.652 2.558 -5.978 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.331 2.907 -5.616 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.442 0.296 -6.880 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.514 0.530 -5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.048 -1.317 -5.318 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.747 -0.954 -5.638 1.00 0.00 H new ATOM 394 N THR A 17 -14.371 5.195 -7.773 1.00 0.00 N ATOM 395 CA THR A 17 -14.670 6.622 -7.773 1.00 0.00 C ATOM 396 C THR A 17 -14.884 7.146 -9.194 1.00 0.00 C ATOM 397 O THR A 17 -15.012 8.353 -9.404 1.00 0.00 O ATOM 398 CB THR A 17 -13.536 7.397 -7.100 1.00 0.00 C ATOM 399 OG1 THR A 17 -13.134 6.755 -5.903 1.00 0.00 O ATOM 400 CG2 THR A 17 -13.908 8.822 -6.753 1.00 0.00 C ATOM 0 H THR A 17 -13.377 4.972 -7.824 1.00 0.00 H new ATOM 0 HA THR A 17 -15.593 6.770 -7.213 1.00 0.00 H new ATOM 0 HB THR A 17 -12.727 7.418 -7.830 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.321 6.233 -6.069 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.059 9.314 -6.279 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.178 9.359 -7.662 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.756 8.820 -6.068 1.00 0.00 H new ATOM 408 N ALA A 18 -14.925 6.240 -10.167 1.00 0.00 N ATOM 409 CA ALA A 18 -15.124 6.623 -11.557 1.00 0.00 C ATOM 410 C ALA A 18 -16.608 6.771 -11.877 1.00 0.00 C ATOM 411 O ALA A 18 -17.396 5.852 -11.656 1.00 0.00 O ATOM 412 CB ALA A 18 -14.483 5.600 -12.484 1.00 0.00 C ATOM 0 H ALA A 18 -14.823 5.236 -10.016 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.645 7.590 -11.714 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.640 5.899 -13.520 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.414 5.544 -12.280 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.936 4.623 -12.316 1.00 0.00 H new ATOM 418 N GLY A 19 -16.983 7.936 -12.399 1.00 0.00 N ATOM 419 CA GLY A 19 -18.371 8.182 -12.739 1.00 0.00 C ATOM 420 C GLY A 19 -18.740 9.650 -12.659 1.00 0.00 C ATOM 421 O GLY A 19 -19.559 10.134 -13.441 1.00 0.00 O ATOM 0 H GLY A 19 -16.350 8.712 -12.592 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.564 7.817 -13.748 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -19.012 7.613 -12.066 1.00 0.00 H new ATOM 425 N TYR A 20 -18.135 10.362 -11.713 1.00 0.00 N ATOM 426 CA TYR A 20 -18.408 11.783 -11.535 1.00 0.00 C ATOM 427 C TYR A 20 -17.669 12.614 -12.584 1.00 0.00 C ATOM 428 O TYR A 20 -16.510 12.342 -12.899 1.00 0.00 O ATOM 429 CB TYR A 20 -18.001 12.231 -10.131 1.00 0.00 C ATOM 430 CG TYR A 20 -18.594 11.380 -9.030 1.00 0.00 C ATOM 431 CD1 TYR A 20 -18.004 10.178 -8.664 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.744 11.778 -8.360 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.543 9.395 -7.662 1.00 0.00 C ATOM 434 CE2 TYR A 20 -20.289 11.000 -7.357 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.685 9.810 -7.011 1.00 0.00 C ATOM 436 OH TYR A 20 -20.226 9.033 -6.013 1.00 0.00 O ATOM 0 H TYR A 20 -17.453 9.978 -11.059 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.479 11.941 -11.661 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.914 12.208 -10.052 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.309 13.266 -9.985 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.109 9.850 -9.171 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -20.219 12.710 -8.627 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -18.072 8.462 -7.390 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -21.184 11.323 -6.846 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.525 8.474 -5.618 1.00 0.00 H new ATOM 446 N PRO A 21 -18.331 13.643 -13.143 1.00 0.00 N ATOM 447 CA PRO A 21 -17.731 14.510 -14.161 1.00 0.00 C ATOM 448 C PRO A 21 -16.747 15.513 -13.567 1.00 0.00 C ATOM 449 O PRO A 21 -17.134 16.605 -13.152 1.00 0.00 O ATOM 450 CB PRO A 21 -18.938 15.234 -14.756 1.00 0.00 C ATOM 451 CG PRO A 21 -19.922 15.295 -13.642 1.00 0.00 C ATOM 452 CD PRO A 21 -19.720 14.041 -12.831 1.00 0.00 C ATOM 0 HA PRO A 21 -17.150 13.944 -14.889 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -18.670 16.232 -15.104 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -19.342 14.695 -15.613 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -19.763 16.183 -13.031 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -20.941 15.350 -14.026 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -19.854 14.227 -11.765 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -20.432 13.264 -13.110 1.00 0.00 H new ATOM 460 N GLY A 22 -15.473 15.136 -13.531 1.00 0.00 N ATOM 461 CA GLY A 22 -14.454 16.016 -12.988 1.00 0.00 C ATOM 462 C GLY A 22 -13.640 15.363 -11.887 1.00 0.00 C ATOM 463 O GLY A 22 -12.699 15.962 -11.368 1.00 0.00 O ATOM 0 H GLY A 22 -15.128 14.237 -13.868 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.786 16.330 -13.790 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.928 16.916 -12.598 1.00 0.00 H new ATOM 467 N VAL A 23 -14.001 14.135 -11.527 1.00 0.00 N ATOM 468 CA VAL A 23 -13.293 13.413 -10.478 1.00 0.00 C ATOM 469 C VAL A 23 -11.983 12.830 -11.003 1.00 0.00 C ATOM 470 O VAL A 23 -11.977 12.031 -11.939 1.00 0.00 O ATOM 471 CB VAL A 23 -14.158 12.277 -9.898 1.00 0.00 C ATOM 472 CG1 VAL A 23 -14.511 11.266 -10.977 1.00 0.00 C ATOM 473 CG2 VAL A 23 -13.448 11.602 -8.733 1.00 0.00 C ATOM 0 H VAL A 23 -14.777 13.622 -11.945 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.075 14.130 -9.687 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.086 12.710 -9.524 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -15.122 10.473 -10.546 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -15.068 11.762 -11.772 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.597 10.838 -11.387 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.076 10.803 -8.338 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.502 11.184 -9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.257 12.335 -7.949 1.00 0.00 H new ATOM 483 N HIS A 24 -10.878 13.237 -10.389 1.00 0.00 N ATOM 484 CA HIS A 24 -9.558 12.762 -10.786 1.00 0.00 C ATOM 485 C HIS A 24 -8.878 12.034 -9.631 1.00 0.00 C ATOM 486 O HIS A 24 -8.228 12.654 -8.789 1.00 0.00 O ATOM 487 CB HIS A 24 -8.690 13.933 -11.250 1.00 0.00 C ATOM 488 CG HIS A 24 -8.295 13.853 -12.691 1.00 0.00 C ATOM 489 ND1 HIS A 24 -8.041 14.966 -13.465 1.00 0.00 N ATOM 490 CD2 HIS A 24 -8.107 12.785 -13.501 1.00 0.00 C ATOM 491 CE1 HIS A 24 -7.716 14.586 -14.689 1.00 0.00 C ATOM 492 NE2 HIS A 24 -7.748 13.267 -14.736 1.00 0.00 N ATOM 0 H HIS A 24 -10.870 13.897 -9.612 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.681 12.063 -11.613 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.231 14.864 -11.082 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.790 13.972 -10.637 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.219 11.746 -13.227 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.467 15.242 -15.510 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -7.540 12.698 -15.557 1.00 0.00 H new ATOM 501 N VAL A 25 -9.036 10.714 -9.592 1.00 0.00 N ATOM 502 CA VAL A 25 -8.440 9.906 -8.536 1.00 0.00 C ATOM 503 C VAL A 25 -7.123 9.285 -8.988 1.00 0.00 C ATOM 504 O VAL A 25 -7.088 8.146 -9.454 1.00 0.00 O ATOM 505 CB VAL A 25 -9.393 8.783 -8.084 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.844 8.080 -6.850 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.783 9.340 -7.813 1.00 0.00 C ATOM 0 H VAL A 25 -9.571 10.183 -10.279 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.251 10.576 -7.697 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.469 8.051 -8.888 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.531 7.290 -6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.871 7.646 -7.081 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.737 8.800 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.443 8.533 -7.495 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.726 10.093 -7.027 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.177 9.793 -8.723 1.00 0.00 H new ATOM 517 N SER A 26 -6.038 10.040 -8.843 1.00 0.00 N ATOM 518 CA SER A 26 -4.715 9.562 -9.229 1.00 0.00 C ATOM 519 C SER A 26 -3.630 10.187 -8.357 1.00 0.00 C ATOM 520 O SER A 26 -2.457 10.217 -8.734 1.00 0.00 O ATOM 521 CB SER A 26 -4.447 9.875 -10.703 1.00 0.00 C ATOM 522 OG SER A 26 -3.129 9.507 -11.071 1.00 0.00 O ATOM 0 H SER A 26 -6.049 10.986 -8.461 1.00 0.00 H new ATOM 0 HA SER A 26 -4.691 8.482 -9.083 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.164 9.342 -11.327 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.595 10.940 -10.885 1.00 0.00 H new ATOM 0 HG SER A 26 -2.486 9.983 -10.504 1.00 0.00 H new ATOM 528 N ASP A 27 -4.026 10.678 -7.188 1.00 0.00 N ATOM 529 CA ASP A 27 -3.090 11.295 -6.257 1.00 0.00 C ATOM 530 C ASP A 27 -3.387 10.862 -4.826 1.00 0.00 C ATOM 531 O ASP A 27 -4.546 10.702 -4.444 1.00 0.00 O ATOM 532 CB ASP A 27 -3.154 12.820 -6.366 1.00 0.00 C ATOM 533 CG ASP A 27 -2.760 13.316 -7.742 1.00 0.00 C ATOM 534 OD1 ASP A 27 -1.743 12.830 -8.282 1.00 0.00 O ATOM 535 OD2 ASP A 27 -3.466 14.193 -8.282 1.00 0.00 O ATOM 0 H ASP A 27 -4.992 10.660 -6.862 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.085 10.964 -6.519 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.165 13.156 -6.137 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.494 13.263 -5.620 1.00 0.00 H new ATOM 540 N LEU A 28 -2.336 10.665 -4.038 1.00 0.00 N ATOM 541 CA LEU A 28 -2.493 10.246 -2.651 1.00 0.00 C ATOM 542 C LEU A 28 -2.380 11.436 -1.705 1.00 0.00 C ATOM 543 O LEU A 28 -1.797 11.330 -0.626 1.00 0.00 O ATOM 544 CB LEU A 28 -1.444 9.190 -2.296 1.00 0.00 C ATOM 545 CG LEU A 28 -1.968 7.999 -1.490 1.00 0.00 C ATOM 546 CD1 LEU A 28 -1.370 6.698 -2.003 1.00 0.00 C ATOM 547 CD2 LEU A 28 -1.663 8.181 -0.011 1.00 0.00 C ATOM 0 H LEU A 28 -1.368 10.789 -4.335 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.487 9.813 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.000 8.817 -3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.646 9.669 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.050 7.950 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.756 5.864 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.641 6.561 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.285 6.735 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.043 7.325 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.585 8.258 0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.142 9.091 0.350 1.00 0.00 H new ATOM 559 N SER A 29 -2.945 12.570 -2.112 1.00 0.00 N ATOM 560 CA SER A 29 -2.905 13.777 -1.293 1.00 0.00 C ATOM 561 C SER A 29 -3.837 14.855 -1.845 1.00 0.00 C ATOM 562 O SER A 29 -4.936 15.061 -1.329 1.00 0.00 O ATOM 563 CB SER A 29 -1.475 14.314 -1.213 1.00 0.00 C ATOM 564 OG SER A 29 -1.457 15.658 -0.762 1.00 0.00 O ATOM 0 H SER A 29 -3.434 12.678 -3.001 1.00 0.00 H new ATOM 0 HA SER A 29 -3.247 13.513 -0.292 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.888 13.693 -0.537 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.004 14.250 -2.194 1.00 0.00 H new ATOM 0 HG SER A 29 -0.531 15.976 -0.718 1.00 0.00 H new ATOM 570 N SER A 30 -3.387 15.543 -2.890 1.00 0.00 N ATOM 571 CA SER A 30 -4.174 16.608 -3.506 1.00 0.00 C ATOM 572 C SER A 30 -5.541 16.102 -3.961 1.00 0.00 C ATOM 573 O SER A 30 -6.549 16.792 -3.812 1.00 0.00 O ATOM 574 CB SER A 30 -3.418 17.200 -4.697 1.00 0.00 C ATOM 575 OG SER A 30 -4.200 18.175 -5.364 1.00 0.00 O ATOM 0 H SER A 30 -2.480 15.382 -3.329 1.00 0.00 H new ATOM 0 HA SER A 30 -4.332 17.381 -2.754 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.486 17.650 -4.353 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.151 16.405 -5.393 1.00 0.00 H new ATOM 0 HG SER A 30 -3.694 18.539 -6.120 1.00 0.00 H new ATOM 581 N SER A 31 -5.568 14.899 -4.526 1.00 0.00 N ATOM 582 CA SER A 31 -6.812 14.308 -5.012 1.00 0.00 C ATOM 583 C SER A 31 -7.877 14.273 -3.918 1.00 0.00 C ATOM 584 O SER A 31 -9.075 14.286 -4.206 1.00 0.00 O ATOM 585 CB SER A 31 -6.557 12.894 -5.536 1.00 0.00 C ATOM 586 OG SER A 31 -6.339 12.901 -6.935 1.00 0.00 O ATOM 0 H SER A 31 -4.743 14.314 -4.659 1.00 0.00 H new ATOM 0 HA SER A 31 -7.182 14.933 -5.825 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.690 12.467 -5.032 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.409 12.256 -5.301 1.00 0.00 H new ATOM 0 HG SER A 31 -7.130 12.544 -7.391 1.00 0.00 H new ATOM 592 N TRP A 32 -7.440 14.222 -2.663 1.00 0.00 N ATOM 593 CA TRP A 32 -8.364 14.180 -1.535 1.00 0.00 C ATOM 594 C TRP A 32 -8.482 15.544 -0.854 1.00 0.00 C ATOM 595 O TRP A 32 -8.996 15.647 0.260 1.00 0.00 O ATOM 596 CB TRP A 32 -7.908 13.130 -0.520 1.00 0.00 C ATOM 597 CG TRP A 32 -7.595 11.804 -1.142 1.00 0.00 C ATOM 598 CD1 TRP A 32 -6.554 11.517 -1.978 1.00 0.00 C ATOM 599 CD2 TRP A 32 -8.328 10.584 -0.980 1.00 0.00 C ATOM 600 NE1 TRP A 32 -6.596 10.195 -2.346 1.00 0.00 N ATOM 601 CE2 TRP A 32 -7.675 9.600 -1.745 1.00 0.00 C ATOM 602 CE3 TRP A 32 -9.473 10.229 -0.260 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -8.130 8.286 -1.812 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -9.922 8.925 -0.327 1.00 0.00 C ATOM 605 CH2 TRP A 32 -9.251 7.966 -1.097 1.00 0.00 C ATOM 0 H TRP A 32 -6.454 14.209 -2.402 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.347 13.910 -1.921 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.024 13.497 0.001 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.687 12.997 0.230 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.807 12.226 -2.302 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -5.932 9.731 -2.966 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -9.996 10.961 0.337 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -7.616 7.546 -2.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.806 8.639 0.224 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.627 6.954 -1.127 1.00 0.00 H new ATOM 616 N ALA A 33 -8.005 16.587 -1.527 1.00 0.00 N ATOM 617 CA ALA A 33 -8.061 17.938 -0.980 1.00 0.00 C ATOM 618 C ALA A 33 -9.502 18.395 -0.775 1.00 0.00 C ATOM 619 O ALA A 33 -9.852 18.915 0.284 1.00 0.00 O ATOM 620 CB ALA A 33 -7.322 18.906 -1.889 1.00 0.00 C ATOM 0 H ALA A 33 -7.576 16.523 -2.450 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.573 17.926 -0.005 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.372 19.910 -1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.279 18.600 -1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.784 18.903 -2.876 1.00 0.00 H new ATOM 626 N ASP A 34 -10.335 18.199 -1.792 1.00 0.00 N ATOM 627 CA ASP A 34 -11.738 18.595 -1.718 1.00 0.00 C ATOM 628 C ASP A 34 -12.595 17.498 -1.080 1.00 0.00 C ATOM 629 O ASP A 34 -13.818 17.613 -1.028 1.00 0.00 O ATOM 630 CB ASP A 34 -12.272 18.933 -3.113 1.00 0.00 C ATOM 631 CG ASP A 34 -12.277 17.731 -4.040 1.00 0.00 C ATOM 632 OD1 ASP A 34 -11.821 16.649 -3.615 1.00 0.00 O ATOM 633 OD2 ASP A 34 -12.736 17.874 -5.192 1.00 0.00 O ATOM 0 H ASP A 34 -10.064 17.769 -2.676 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.799 19.482 -1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.285 19.325 -3.026 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.662 19.723 -3.551 1.00 0.00 H new ATOM 638 N GLY A 35 -11.948 16.438 -0.598 1.00 0.00 N ATOM 639 CA GLY A 35 -12.676 15.346 0.026 1.00 0.00 C ATOM 640 C GLY A 35 -13.730 14.745 -0.884 1.00 0.00 C ATOM 641 O GLY A 35 -14.677 14.113 -0.414 1.00 0.00 O ATOM 0 H GLY A 35 -10.936 16.317 -0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.972 14.568 0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.153 15.707 0.937 1.00 0.00 H new ATOM 645 N LEU A 36 -13.569 14.941 -2.190 1.00 0.00 N ATOM 646 CA LEU A 36 -14.518 14.413 -3.162 1.00 0.00 C ATOM 647 C LEU A 36 -14.412 12.895 -3.257 1.00 0.00 C ATOM 648 O LEU A 36 -15.397 12.210 -3.538 1.00 0.00 O ATOM 649 CB LEU A 36 -14.276 15.039 -4.536 1.00 0.00 C ATOM 650 CG LEU A 36 -15.401 14.827 -5.549 1.00 0.00 C ATOM 651 CD1 LEU A 36 -16.695 15.452 -5.052 1.00 0.00 C ATOM 652 CD2 LEU A 36 -15.014 15.405 -6.902 1.00 0.00 C ATOM 0 H LEU A 36 -12.792 15.461 -2.598 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.523 14.669 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -14.119 16.110 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.354 14.629 -4.948 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.562 13.755 -5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.483 15.290 -5.787 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.981 14.992 -4.106 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -16.549 16.522 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.826 15.246 -7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.825 16.474 -6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.113 14.910 -7.265 1.00 0.00 H new ATOM 664 N ALA A 37 -13.213 12.372 -3.020 1.00 0.00 N ATOM 665 CA ALA A 37 -12.984 10.934 -3.079 1.00 0.00 C ATOM 666 C ALA A 37 -13.825 10.202 -2.038 1.00 0.00 C ATOM 667 O ALA A 37 -14.478 9.203 -2.343 1.00 0.00 O ATOM 668 CB ALA A 37 -11.506 10.627 -2.883 1.00 0.00 C ATOM 0 H ALA A 37 -12.387 12.922 -2.786 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.288 10.581 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.349 9.549 -2.929 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.926 11.112 -3.668 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.183 10.999 -1.911 1.00 0.00 H new ATOM 674 N LEU A 38 -13.807 10.708 -0.809 1.00 0.00 N ATOM 675 CA LEU A 38 -14.573 10.102 0.275 1.00 0.00 C ATOM 676 C LEU A 38 -16.070 10.251 0.022 1.00 0.00 C ATOM 677 O LEU A 38 -16.833 9.295 0.166 1.00 0.00 O ATOM 678 CB LEU A 38 -14.202 10.746 1.613 1.00 0.00 C ATOM 679 CG LEU A 38 -14.185 9.792 2.809 1.00 0.00 C ATOM 680 CD1 LEU A 38 -12.783 9.250 3.036 1.00 0.00 C ATOM 681 CD2 LEU A 38 -14.699 10.493 4.057 1.00 0.00 C ATOM 0 H LEU A 38 -13.272 11.534 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.330 9.040 0.314 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.217 11.203 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.908 11.551 1.820 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.846 8.953 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -12.788 8.573 3.890 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.453 8.711 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.101 10.077 3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.680 9.800 4.898 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.065 11.351 4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.721 10.832 3.889 1.00 0.00 H new ATOM 693 N CYS A 39 -16.481 11.455 -0.360 1.00 0.00 N ATOM 694 CA CYS A 39 -17.884 11.728 -0.641 1.00 0.00 C ATOM 695 C CYS A 39 -18.368 10.883 -1.814 1.00 0.00 C ATOM 696 O CYS A 39 -19.491 10.378 -1.809 1.00 0.00 O ATOM 697 CB CYS A 39 -18.086 13.214 -0.942 1.00 0.00 C ATOM 698 SG CYS A 39 -19.697 13.857 -0.428 1.00 0.00 S ATOM 0 H CYS A 39 -15.862 12.257 -0.482 1.00 0.00 H new ATOM 0 HA CYS A 39 -18.469 11.466 0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -17.303 13.785 -0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -17.966 13.377 -2.013 1.00 0.00 H new ATOM 0 HG CYS A 39 -19.634 15.151 -0.321 1.00 0.00 H new ATOM 704 N ALA A 40 -17.509 10.730 -2.818 1.00 0.00 N ATOM 705 CA ALA A 40 -17.843 9.940 -3.995 1.00 0.00 C ATOM 706 C ALA A 40 -18.164 8.501 -3.607 1.00 0.00 C ATOM 707 O ALA A 40 -19.096 7.895 -4.137 1.00 0.00 O ATOM 708 CB ALA A 40 -16.697 9.975 -4.996 1.00 0.00 C ATOM 0 H ALA A 40 -16.577 11.143 -2.838 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.728 10.374 -4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.960 9.380 -5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.511 11.005 -5.300 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.799 9.565 -4.535 1.00 0.00 H new ATOM 714 N LEU A 41 -17.387 7.959 -2.673 1.00 0.00 N ATOM 715 CA LEU A 41 -17.590 6.593 -2.208 1.00 0.00 C ATOM 716 C LEU A 41 -18.960 6.443 -1.554 1.00 0.00 C ATOM 717 O LEU A 41 -19.730 5.547 -1.899 1.00 0.00 O ATOM 718 CB LEU A 41 -16.493 6.200 -1.216 1.00 0.00 C ATOM 719 CG LEU A 41 -15.119 5.946 -1.838 1.00 0.00 C ATOM 720 CD1 LEU A 41 -14.015 6.296 -0.852 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.997 4.499 -2.285 1.00 0.00 C ATOM 0 H LEU A 41 -16.611 8.446 -2.224 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.542 5.930 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.397 6.990 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.808 5.300 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 41 -15.013 6.586 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -13.044 6.109 -1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.091 7.349 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.118 5.681 0.042 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.013 4.336 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -15.124 3.841 -1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.767 4.281 -3.025 1.00 0.00 H new ATOM 733 N VAL A 42 -19.257 7.328 -0.607 1.00 0.00 N ATOM 734 CA VAL A 42 -20.536 7.295 0.094 1.00 0.00 C ATOM 735 C VAL A 42 -21.698 7.434 -0.884 1.00 0.00 C ATOM 736 O VAL A 42 -22.671 6.683 -0.820 1.00 0.00 O ATOM 737 CB VAL A 42 -20.632 8.414 1.149 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.888 8.249 1.991 1.00 0.00 C ATOM 739 CG2 VAL A 42 -19.389 8.430 2.029 1.00 0.00 C ATOM 0 H VAL A 42 -18.631 8.075 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.596 6.330 0.596 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.693 9.371 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.938 9.048 2.730 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.766 8.295 1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.861 7.285 2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -19.476 9.227 2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -19.292 7.472 2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.508 8.603 1.411 1.00 0.00 H new ATOM 749 N TYR A 43 -21.586 8.399 -1.792 1.00 0.00 N ATOM 750 CA TYR A 43 -22.623 8.638 -2.789 1.00 0.00 C ATOM 751 C TYR A 43 -22.850 7.395 -3.645 1.00 0.00 C ATOM 752 O TYR A 43 -23.979 7.085 -4.020 1.00 0.00 O ATOM 753 CB TYR A 43 -22.245 9.823 -3.678 1.00 0.00 C ATOM 754 CG TYR A 43 -23.253 10.111 -4.768 1.00 0.00 C ATOM 755 CD1 TYR A 43 -23.203 9.438 -5.983 1.00 0.00 C ATOM 756 CD2 TYR A 43 -24.256 11.053 -4.582 1.00 0.00 C ATOM 757 CE1 TYR A 43 -24.124 9.697 -6.981 1.00 0.00 C ATOM 758 CE2 TYR A 43 -25.180 11.319 -5.575 1.00 0.00 C ATOM 759 CZ TYR A 43 -25.110 10.638 -6.772 1.00 0.00 C ATOM 760 OH TYR A 43 -26.028 10.899 -7.763 1.00 0.00 O ATOM 0 H TYR A 43 -20.786 9.029 -1.857 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.550 8.871 -2.264 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -22.132 10.711 -3.056 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -21.275 9.628 -4.135 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -22.432 8.701 -6.150 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -24.315 11.587 -3.645 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -24.071 9.165 -7.919 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -25.953 12.056 -5.414 1.00 0.00 H new ATOM 0 HH TYR A 43 -26.655 11.586 -7.455 1.00 0.00 H new ATOM 770 N ARG A 44 -21.768 6.690 -3.958 1.00 0.00 N ATOM 771 CA ARG A 44 -21.853 5.485 -4.774 1.00 0.00 C ATOM 772 C ARG A 44 -22.689 4.416 -4.076 1.00 0.00 C ATOM 773 O ARG A 44 -23.453 3.697 -4.717 1.00 0.00 O ATOM 774 CB ARG A 44 -20.455 4.943 -5.073 1.00 0.00 C ATOM 775 CG ARG A 44 -20.340 4.272 -6.433 1.00 0.00 C ATOM 776 CD ARG A 44 -19.955 2.808 -6.304 1.00 0.00 C ATOM 777 NE ARG A 44 -21.099 1.971 -5.949 1.00 0.00 N ATOM 778 CZ ARG A 44 -22.025 1.573 -6.820 1.00 0.00 C ATOM 779 NH1 ARG A 44 -21.945 1.934 -8.095 1.00 0.00 N ATOM 780 NH2 ARG A 44 -23.031 0.812 -6.414 1.00 0.00 N ATOM 0 H ARG A 44 -20.823 6.932 -3.659 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.339 5.746 -5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -19.738 5.762 -5.020 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.179 4.227 -4.299 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -21.290 4.354 -6.961 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -19.595 4.793 -7.035 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -19.530 2.461 -7.246 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -19.179 2.702 -5.546 1.00 0.00 H new ATOM 0 HE ARG A 44 -21.194 1.674 -4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -21.172 2.519 -8.412 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -22.657 1.626 -8.758 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -23.096 0.532 -5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -23.741 0.507 -7.080 1.00 0.00 H new ATOM 794 N LEU A 45 -22.539 4.322 -2.760 1.00 0.00 N ATOM 795 CA LEU A 45 -23.286 3.344 -1.975 1.00 0.00 C ATOM 796 C LEU A 45 -24.648 3.903 -1.571 1.00 0.00 C ATOM 797 O LEU A 45 -25.614 3.158 -1.411 1.00 0.00 O ATOM 798 CB LEU A 45 -22.492 2.945 -0.729 1.00 0.00 C ATOM 799 CG LEU A 45 -21.399 1.902 -0.964 1.00 0.00 C ATOM 800 CD1 LEU A 45 -22.014 0.547 -1.279 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.474 2.343 -2.087 1.00 0.00 C ATOM 0 H LEU A 45 -21.909 4.909 -2.214 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.444 2.459 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -22.034 3.840 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.186 2.559 0.018 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.810 1.808 -0.051 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -21.221 -0.183 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.635 0.226 -0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.627 0.625 -2.177 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.702 1.589 -2.240 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -21.049 2.466 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -20.007 3.291 -1.822 1.00 0.00 H new ATOM 813 N GLN A 46 -24.714 5.221 -1.414 1.00 0.00 N ATOM 814 CA GLN A 46 -25.954 5.891 -1.035 1.00 0.00 C ATOM 815 C GLN A 46 -26.042 7.266 -1.692 1.00 0.00 C ATOM 816 O GLN A 46 -25.858 8.292 -1.038 1.00 0.00 O ATOM 817 CB GLN A 46 -26.040 6.028 0.487 1.00 0.00 C ATOM 818 CG GLN A 46 -26.779 4.881 1.158 1.00 0.00 C ATOM 819 CD GLN A 46 -26.528 4.821 2.653 1.00 0.00 C ATOM 820 OE1 GLN A 46 -25.415 4.538 3.096 1.00 0.00 O ATOM 821 NE2 GLN A 46 -27.565 5.088 3.437 1.00 0.00 N ATOM 0 H GLN A 46 -23.921 5.849 -1.544 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.792 5.286 -1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -25.031 6.089 0.896 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -26.540 6.965 0.732 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -27.849 4.987 0.977 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -26.471 3.940 0.703 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -28.470 5.318 3.026 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -27.457 5.063 4.451 1.00 0.00 H new ATOM 830 N PRO A 47 -26.325 7.301 -3.008 1.00 0.00 N ATOM 831 CA PRO A 47 -26.433 8.557 -3.758 1.00 0.00 C ATOM 832 C PRO A 47 -27.679 9.347 -3.383 1.00 0.00 C ATOM 833 O PRO A 47 -27.685 10.577 -3.431 1.00 0.00 O ATOM 834 CB PRO A 47 -26.510 8.094 -5.215 1.00 0.00 C ATOM 835 CG PRO A 47 -27.071 6.717 -5.146 1.00 0.00 C ATOM 836 CD PRO A 47 -26.556 6.122 -3.864 1.00 0.00 C ATOM 0 HA PRO A 47 -25.599 9.228 -3.554 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -27.147 8.752 -5.806 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.526 8.097 -5.684 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -28.161 6.739 -5.156 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -26.757 6.124 -6.005 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.279 5.438 -3.419 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.638 5.556 -4.024 1.00 0.00 H new ATOM 844 N GLY A 48 -28.731 8.633 -3.007 1.00 0.00 N ATOM 845 CA GLY A 48 -29.970 9.282 -2.627 1.00 0.00 C ATOM 846 C GLY A 48 -29.841 10.067 -1.336 1.00 0.00 C ATOM 847 O GLY A 48 -30.635 10.967 -1.068 1.00 0.00 O ATOM 0 H GLY A 48 -28.749 7.614 -2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.285 9.953 -3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.751 8.530 -2.515 1.00 0.00 H new ATOM 851 N LEU A 49 -28.840 9.719 -0.530 1.00 0.00 N ATOM 852 CA LEU A 49 -28.620 10.397 0.744 1.00 0.00 C ATOM 853 C LEU A 49 -27.280 11.130 0.759 1.00 0.00 C ATOM 854 O LEU A 49 -26.583 11.143 1.774 1.00 0.00 O ATOM 855 CB LEU A 49 -28.678 9.392 1.895 1.00 0.00 C ATOM 856 CG LEU A 49 -30.088 8.988 2.329 1.00 0.00 C ATOM 857 CD1 LEU A 49 -30.034 7.808 3.287 1.00 0.00 C ATOM 858 CD2 LEU A 49 -30.805 10.167 2.971 1.00 0.00 C ATOM 0 H LEU A 49 -28.172 8.976 -0.735 1.00 0.00 H new ATOM 0 HA LEU A 49 -29.412 11.135 0.871 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -28.133 8.495 1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -28.157 9.815 2.754 1.00 0.00 H new ATOM 0 HG LEU A 49 -30.648 8.685 1.444 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -31.046 7.535 3.585 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -29.560 6.960 2.793 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -29.457 8.083 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -31.807 9.862 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -30.247 10.500 3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -30.876 10.984 2.253 1.00 0.00 H new ATOM 870 N LEU A 50 -26.925 11.746 -0.366 1.00 0.00 N ATOM 871 CA LEU A 50 -25.668 12.482 -0.463 1.00 0.00 C ATOM 872 C LEU A 50 -25.687 13.457 -1.639 1.00 0.00 C ATOM 873 O LEU A 50 -26.597 13.433 -2.468 1.00 0.00 O ATOM 874 CB LEU A 50 -24.493 11.512 -0.601 1.00 0.00 C ATOM 875 CG LEU A 50 -23.372 11.707 0.421 1.00 0.00 C ATOM 876 CD1 LEU A 50 -23.636 10.876 1.668 1.00 0.00 C ATOM 877 CD2 LEU A 50 -22.026 11.346 -0.187 1.00 0.00 C ATOM 0 H LEU A 50 -27.486 11.750 -1.218 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.546 13.059 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.870 10.493 -0.514 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -24.074 11.613 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 50 -23.348 12.758 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.828 11.027 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -24.581 11.183 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.689 9.821 1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -21.241 11.491 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -22.038 10.303 -0.504 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -21.833 11.985 -1.049 1.00 0.00 H new ATOM 889 N GLU A 51 -24.669 14.311 -1.701 1.00 0.00 N ATOM 890 CA GLU A 51 -24.554 15.298 -2.770 1.00 0.00 C ATOM 891 C GLU A 51 -23.107 15.770 -2.910 1.00 0.00 C ATOM 892 O GLU A 51 -22.806 16.950 -2.719 1.00 0.00 O ATOM 893 CB GLU A 51 -25.473 16.491 -2.494 1.00 0.00 C ATOM 894 CG GLU A 51 -26.952 16.153 -2.585 1.00 0.00 C ATOM 895 CD GLU A 51 -27.825 17.387 -2.701 1.00 0.00 C ATOM 896 OE1 GLU A 51 -27.601 18.186 -3.634 1.00 0.00 O ATOM 897 OE2 GLU A 51 -28.731 17.554 -1.858 1.00 0.00 O ATOM 0 H GLU A 51 -23.909 14.339 -1.021 1.00 0.00 H new ATOM 0 HA GLU A 51 -24.859 14.829 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -25.259 16.882 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.246 17.286 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.122 15.510 -3.448 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.246 15.586 -1.702 1.00 0.00 H new ATOM 904 N PRO A 52 -22.190 14.847 -3.249 1.00 0.00 N ATOM 905 CA PRO A 52 -20.766 15.162 -3.416 1.00 0.00 C ATOM 906 C PRO A 52 -20.523 16.253 -4.453 1.00 0.00 C ATOM 907 O PRO A 52 -19.461 16.875 -4.470 1.00 0.00 O ATOM 908 CB PRO A 52 -20.148 13.834 -3.882 1.00 0.00 C ATOM 909 CG PRO A 52 -21.300 13.007 -4.344 1.00 0.00 C ATOM 910 CD PRO A 52 -22.467 13.426 -3.500 1.00 0.00 C ATOM 0 HA PRO A 52 -20.332 15.547 -2.493 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.431 13.995 -4.687 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.611 13.343 -3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.502 13.174 -5.402 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.092 11.944 -4.223 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.414 13.284 -4.020 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.523 12.854 -2.574 1.00 0.00 H new ATOM 918 N SER A 53 -21.509 16.484 -5.312 1.00 0.00 N ATOM 919 CA SER A 53 -21.392 17.504 -6.344 1.00 0.00 C ATOM 920 C SER A 53 -21.224 18.886 -5.724 1.00 0.00 C ATOM 921 O SER A 53 -20.370 19.667 -6.142 1.00 0.00 O ATOM 922 CB SER A 53 -22.622 17.484 -7.253 1.00 0.00 C ATOM 923 OG SER A 53 -23.814 17.633 -6.504 1.00 0.00 O ATOM 0 H SER A 53 -22.396 15.980 -5.314 1.00 0.00 H new ATOM 0 HA SER A 53 -20.507 17.283 -6.940 1.00 0.00 H new ATOM 0 HB2 SER A 53 -22.548 18.286 -7.987 1.00 0.00 H new ATOM 0 HB3 SER A 53 -22.653 16.546 -7.808 1.00 0.00 H new ATOM 0 HG SER A 53 -24.585 17.619 -7.109 1.00 0.00 H new ATOM 929 N GLU A 54 -22.045 19.178 -4.723 1.00 0.00 N ATOM 930 CA GLU A 54 -21.990 20.466 -4.042 1.00 0.00 C ATOM 931 C GLU A 54 -20.743 20.576 -3.169 1.00 0.00 C ATOM 932 O GLU A 54 -20.005 21.559 -3.244 1.00 0.00 O ATOM 933 CB GLU A 54 -23.247 20.665 -3.188 1.00 0.00 C ATOM 934 CG GLU A 54 -24.035 21.913 -3.551 1.00 0.00 C ATOM 935 CD GLU A 54 -25.233 21.611 -4.430 1.00 0.00 C ATOM 936 OE1 GLU A 54 -25.951 20.633 -4.136 1.00 0.00 O ATOM 937 OE2 GLU A 54 -25.450 22.351 -5.411 1.00 0.00 O ATOM 0 H GLU A 54 -22.757 18.541 -4.365 1.00 0.00 H new ATOM 0 HA GLU A 54 -21.943 21.247 -4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.892 19.793 -3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -22.959 20.719 -2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.373 22.403 -2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -23.379 22.615 -4.066 1.00 0.00 H new ATOM 944 N LEU A 55 -20.514 19.560 -2.341 1.00 0.00 N ATOM 945 CA LEU A 55 -19.361 19.538 -1.445 1.00 0.00 C ATOM 946 C LEU A 55 -18.044 19.534 -2.220 1.00 0.00 C ATOM 947 O LEU A 55 -16.987 19.822 -1.660 1.00 0.00 O ATOM 948 CB LEU A 55 -19.425 18.310 -0.536 1.00 0.00 C ATOM 949 CG LEU A 55 -20.291 18.473 0.714 1.00 0.00 C ATOM 950 CD1 LEU A 55 -19.850 19.691 1.512 1.00 0.00 C ATOM 951 CD2 LEU A 55 -21.759 18.584 0.334 1.00 0.00 C ATOM 0 H LEU A 55 -21.114 18.738 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.396 20.445 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.805 17.468 -1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.412 18.053 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.165 17.589 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -20.477 19.792 2.398 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -18.810 19.570 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -19.947 20.585 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.361 18.699 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -21.903 19.450 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -22.067 17.682 -0.195 1.00 0.00 H new ATOM 963 N GLN A 56 -18.111 19.201 -3.504 1.00 0.00 N ATOM 964 CA GLN A 56 -16.918 19.153 -4.340 1.00 0.00 C ATOM 965 C GLN A 56 -16.242 20.516 -4.417 1.00 0.00 C ATOM 966 O GLN A 56 -15.015 20.613 -4.390 1.00 0.00 O ATOM 967 CB GLN A 56 -17.280 18.666 -5.746 1.00 0.00 C ATOM 968 CG GLN A 56 -16.111 18.674 -6.719 1.00 0.00 C ATOM 969 CD GLN A 56 -16.337 19.597 -7.900 1.00 0.00 C ATOM 970 OE1 GLN A 56 -16.675 19.151 -8.997 1.00 0.00 O ATOM 971 NE2 GLN A 56 -16.151 20.895 -7.684 1.00 0.00 N ATOM 0 H GLN A 56 -18.976 18.961 -3.987 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.216 18.453 -3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -17.677 17.653 -5.678 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.076 19.295 -6.144 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.207 18.980 -6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -15.940 17.661 -7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.871 21.223 -6.760 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.288 21.563 -8.442 1.00 0.00 H new ATOM 980 N GLY A 57 -17.045 21.566 -4.513 1.00 0.00 N ATOM 981 CA GLY A 57 -16.499 22.906 -4.592 1.00 0.00 C ATOM 982 C GLY A 57 -16.928 23.786 -3.433 1.00 0.00 C ATOM 983 O GLY A 57 -16.401 24.885 -3.255 1.00 0.00 O ATOM 0 H GLY A 57 -18.063 21.514 -4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.411 22.849 -4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.814 23.367 -5.528 1.00 0.00 H new ATOM 987 N LEU A 58 -17.885 23.307 -2.642 1.00 0.00 N ATOM 988 CA LEU A 58 -18.374 24.067 -1.498 1.00 0.00 C ATOM 989 C LEU A 58 -17.252 24.318 -0.499 1.00 0.00 C ATOM 990 O LEU A 58 -17.241 25.336 0.193 1.00 0.00 O ATOM 991 CB LEU A 58 -19.526 23.325 -0.817 1.00 0.00 C ATOM 992 CG LEU A 58 -20.889 24.003 -0.942 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.656 23.449 -2.132 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.692 23.833 0.338 1.00 0.00 C ATOM 0 H LEU A 58 -18.334 22.401 -2.772 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.739 25.028 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.594 22.323 -1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.290 23.209 0.241 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.727 25.068 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.624 23.945 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.089 23.627 -3.045 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.806 22.377 -2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.659 24.323 0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.843 22.772 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -21.150 24.282 1.170 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.309 23.384 -0.427 1.00 0.00 N ATOM 1007 CA GLY A 59 -15.197 23.530 0.492 1.00 0.00 C ATOM 1008 C GLY A 59 -14.432 22.238 0.692 1.00 0.00 C ATOM 1009 O GLY A 59 -14.983 21.149 0.528 1.00 0.00 O ATOM 0 H GLY A 59 -16.295 22.532 -0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.518 24.295 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.570 23.880 1.455 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.157 22.358 1.046 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.313 21.192 1.268 1.00 0.00 C ATOM 1015 C ALA A 60 -12.662 20.506 2.585 1.00 0.00 C ATOM 1016 O ALA A 60 -13.119 19.363 2.598 1.00 0.00 O ATOM 1017 CB ALA A 60 -10.845 21.595 1.248 1.00 0.00 C ATOM 0 H ALA A 60 -12.686 23.252 1.185 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.493 20.481 0.462 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.224 20.715 1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.601 22.033 0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.658 22.326 2.035 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.444 21.213 3.689 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.736 20.672 5.011 1.00 0.00 C ATOM 1025 C LEU A 61 -14.224 20.372 5.159 1.00 0.00 C ATOM 1026 O LEU A 61 -14.609 19.383 5.784 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.289 21.654 6.096 1.00 0.00 C ATOM 1028 CG LEU A 61 -12.093 21.040 7.483 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -10.951 21.729 8.215 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -13.378 21.131 8.292 1.00 0.00 C ATOM 0 H LEU A 61 -12.067 22.161 3.694 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.184 19.739 5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.352 22.115 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.028 22.452 6.170 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.837 19.988 7.361 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.826 21.279 9.200 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.030 21.613 7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -11.178 22.789 8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -13.220 20.689 9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.663 22.177 8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -14.172 20.592 7.775 1.00 0.00 H new ATOM 1042 N GLU A 62 -15.057 21.233 4.586 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.503 21.062 4.653 1.00 0.00 C ATOM 1044 C GLU A 62 -16.931 19.753 3.995 1.00 0.00 C ATOM 1045 O GLU A 62 -17.754 19.014 4.537 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.209 22.240 3.981 1.00 0.00 C ATOM 1047 CG GLU A 62 -18.676 22.367 4.358 1.00 0.00 C ATOM 1048 CD GLU A 62 -18.911 23.396 5.446 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -18.583 24.581 5.223 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -19.422 23.019 6.521 1.00 0.00 O ATOM 0 H GLU A 62 -14.755 22.058 4.069 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.790 21.027 5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.693 23.162 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.129 22.132 2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.252 22.640 3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.046 21.398 4.693 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.370 19.476 2.824 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.695 18.256 2.091 1.00 0.00 C ATOM 1059 C ALA A 63 -16.267 17.017 2.868 1.00 0.00 C ATOM 1060 O ALA A 63 -17.009 16.037 2.953 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.033 18.274 0.723 1.00 0.00 C ATOM 0 H ALA A 63 -15.689 20.078 2.361 1.00 0.00 H new ATOM 0 HA ALA A 63 -17.777 18.216 1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.283 17.359 0.186 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.389 19.135 0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.952 18.341 0.843 1.00 0.00 H new ATOM 1067 N THR A 64 -15.064 17.065 3.433 1.00 0.00 N ATOM 1068 CA THR A 64 -14.535 15.945 4.202 1.00 0.00 C ATOM 1069 C THR A 64 -15.329 15.739 5.487 1.00 0.00 C ATOM 1070 O THR A 64 -15.766 14.629 5.788 1.00 0.00 O ATOM 1071 CB THR A 64 -13.061 16.180 4.532 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.368 16.685 3.404 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.343 14.930 4.991 1.00 0.00 C ATOM 0 H THR A 64 -14.438 17.868 3.372 1.00 0.00 H new ATOM 0 HA THR A 64 -14.627 15.045 3.594 1.00 0.00 H new ATOM 0 HB THR A 64 -13.060 16.900 5.350 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.566 17.639 3.299 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.302 15.168 5.208 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.823 14.544 5.891 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.387 14.176 4.205 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.509 16.817 6.244 1.00 0.00 N ATOM 1082 CA ALA A 65 -16.248 16.756 7.500 1.00 0.00 C ATOM 1083 C ALA A 65 -17.690 16.312 7.271 1.00 0.00 C ATOM 1084 O ALA A 65 -18.222 15.489 8.014 1.00 0.00 O ATOM 1085 CB ALA A 65 -16.214 18.107 8.197 1.00 0.00 C ATOM 0 H ALA A 65 -15.153 17.744 6.009 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.767 16.016 8.140 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.769 18.048 9.133 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.180 18.383 8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.668 18.860 7.553 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.317 16.867 6.239 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.697 16.530 5.913 1.00 0.00 C ATOM 1093 C TRP A 66 -19.811 15.082 5.450 1.00 0.00 C ATOM 1094 O TRP A 66 -20.739 14.368 5.833 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.230 17.467 4.829 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.722 17.435 4.698 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.628 18.089 5.481 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -22.483 16.710 3.722 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -23.906 17.815 5.054 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -23.842 16.972 3.976 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -22.146 15.867 2.660 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -24.863 16.420 3.207 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -23.159 15.320 1.896 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -24.504 15.598 2.172 1.00 0.00 C ATOM 0 H TRP A 66 -17.891 17.552 5.615 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.296 16.651 6.816 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -19.914 18.486 5.052 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -19.783 17.196 3.873 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -22.378 18.729 6.315 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.762 18.180 5.472 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -21.112 15.647 2.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -25.900 16.632 3.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -22.910 14.667 1.072 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -25.273 15.155 1.556 1.00 0.00 H new ATOM 1115 N ALA A 67 -18.862 14.655 4.624 1.00 0.00 N ATOM 1116 CA ALA A 67 -18.856 13.291 4.106 1.00 0.00 C ATOM 1117 C ALA A 67 -18.515 12.286 5.200 1.00 0.00 C ATOM 1118 O ALA A 67 -19.068 11.187 5.239 1.00 0.00 O ATOM 1119 CB ALA A 67 -17.872 13.173 2.952 1.00 0.00 C ATOM 0 H ALA A 67 -18.087 15.233 4.299 1.00 0.00 H new ATOM 0 HA ALA A 67 -19.858 13.062 3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.876 12.151 2.573 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.163 13.856 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -16.871 13.427 3.300 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.599 12.664 6.084 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.183 11.791 7.176 1.00 0.00 C ATOM 1127 C LEU A 68 -18.326 11.564 8.162 1.00 0.00 C ATOM 1128 O LEU A 68 -18.584 10.433 8.576 1.00 0.00 O ATOM 1129 CB LEU A 68 -15.974 12.386 7.905 1.00 0.00 C ATOM 1130 CG LEU A 68 -14.628 11.754 7.545 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -13.942 12.549 6.444 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -13.736 11.663 8.774 1.00 0.00 C ATOM 0 H LEU A 68 -17.130 13.570 6.066 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.902 10.829 6.748 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -15.927 13.453 7.688 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -16.130 12.285 8.979 1.00 0.00 H new ATOM 0 HG LEU A 68 -14.810 10.744 7.177 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.986 12.085 6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -14.575 12.562 5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.773 13.571 6.784 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.783 11.211 8.499 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.562 12.663 9.172 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -14.223 11.050 9.532 1.00 0.00 H new ATOM 1144 N LYS A 69 -19.006 12.642 8.537 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.117 12.552 9.477 1.00 0.00 C ATOM 1146 C LYS A 69 -21.265 11.739 8.887 1.00 0.00 C ATOM 1147 O LYS A 69 -21.797 10.839 9.534 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.605 13.953 9.857 1.00 0.00 C ATOM 1149 CG LYS A 69 -20.413 14.284 11.329 1.00 0.00 C ATOM 1150 CD LYS A 69 -21.670 14.886 11.937 1.00 0.00 C ATOM 1151 CE LYS A 69 -21.598 16.405 11.979 1.00 0.00 C ATOM 1152 NZ LYS A 69 -22.222 16.957 13.212 1.00 0.00 N ATOM 0 H LYS A 69 -18.808 13.586 8.205 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.763 12.044 10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -20.074 14.690 9.255 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -21.663 14.041 9.608 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -20.142 13.379 11.873 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -19.584 14.983 11.440 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -22.539 14.578 11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -21.808 14.499 12.947 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -20.556 16.720 11.927 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -22.100 16.816 11.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -22.152 17.995 13.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -23.223 16.678 13.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -21.727 16.585 14.048 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.641 12.063 7.653 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.725 11.358 6.978 1.00 0.00 C ATOM 1168 C VAL A 70 -22.325 9.925 6.652 1.00 0.00 C ATOM 1169 O VAL A 70 -23.134 9.006 6.764 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.143 12.074 5.680 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -23.700 13.456 5.989 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -21.968 12.168 4.717 1.00 0.00 C ATOM 0 H VAL A 70 -21.212 12.807 7.102 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.572 11.350 7.663 1.00 0.00 H new ATOM 0 HB VAL A 70 -23.928 11.489 5.201 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -23.990 13.947 5.060 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.571 13.361 6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -22.938 14.051 6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.284 12.677 3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -21.159 12.729 5.184 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.619 11.165 4.470 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.070 9.738 6.252 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.569 8.410 5.918 1.00 0.00 C ATOM 1184 C ALA A 71 -20.782 7.454 7.083 1.00 0.00 C ATOM 1185 O ALA A 71 -21.226 6.322 6.901 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.095 8.478 5.547 1.00 0.00 C ATOM 0 H ALA A 71 -20.385 10.487 6.152 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.125 8.035 5.058 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.735 7.479 5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.967 9.133 4.685 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.526 8.871 6.389 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.473 7.929 8.283 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.641 7.131 9.490 1.00 0.00 C ATOM 1194 C GLU A 72 -22.120 6.930 9.794 1.00 0.00 C ATOM 1195 O GLU A 72 -22.534 5.868 10.254 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.949 7.806 10.675 1.00 0.00 C ATOM 1197 CG GLU A 72 -20.081 7.034 11.978 1.00 0.00 C ATOM 1198 CD GLU A 72 -20.876 7.788 13.027 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -21.983 8.266 12.702 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -20.392 7.897 14.173 1.00 0.00 O ATOM 0 H GLU A 72 -20.104 8.866 8.446 1.00 0.00 H new ATOM 0 HA GLU A 72 -20.183 6.156 9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.892 7.933 10.443 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.368 8.803 10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.563 6.077 11.781 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.087 6.816 12.369 1.00 0.00 H new ATOM 1207 N ASN A 73 -22.914 7.964 9.541 1.00 0.00 N ATOM 1208 CA ASN A 73 -24.348 7.903 9.796 1.00 0.00 C ATOM 1209 C ASN A 73 -25.057 6.992 8.795 1.00 0.00 C ATOM 1210 O ASN A 73 -25.960 6.239 9.160 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.952 9.307 9.737 1.00 0.00 C ATOM 1212 CG ASN A 73 -25.015 9.967 11.102 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -24.421 11.022 11.323 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -25.737 9.344 12.026 1.00 0.00 N ATOM 0 H ASN A 73 -22.590 8.853 9.160 1.00 0.00 H new ATOM 0 HA ASN A 73 -24.491 7.486 10.793 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.359 9.927 9.064 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.956 9.250 9.317 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -25.816 9.739 12.963 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -26.213 8.471 11.798 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.658 7.082 7.532 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.267 6.281 6.474 1.00 0.00 C ATOM 1223 C GLU A 74 -24.712 4.857 6.426 1.00 0.00 C ATOM 1224 O GLU A 74 -25.463 3.901 6.237 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.062 6.959 5.118 1.00 0.00 C ATOM 1226 CG GLU A 74 -25.576 8.388 5.069 1.00 0.00 C ATOM 1227 CD GLU A 74 -27.091 8.466 5.059 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -27.742 7.408 5.200 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -27.627 9.584 4.911 1.00 0.00 O ATOM 0 H GLU A 74 -23.914 7.703 7.214 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.331 6.211 6.699 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -23.999 6.955 4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -25.566 6.374 4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -25.194 8.937 5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -25.185 8.880 4.178 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.396 4.718 6.573 1.00 0.00 N ATOM 1237 CA LEU A 75 -22.761 3.403 6.514 1.00 0.00 C ATOM 1238 C LEU A 75 -22.416 2.866 7.902 1.00 0.00 C ATOM 1239 O LEU A 75 -22.663 1.697 8.202 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.499 3.463 5.653 1.00 0.00 C ATOM 1241 CG LEU A 75 -21.723 3.220 4.160 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -20.848 4.145 3.329 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -21.444 1.764 3.811 1.00 0.00 C ATOM 0 H LEU A 75 -22.753 5.493 6.733 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.480 2.718 6.064 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.036 4.442 5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.789 2.724 6.024 1.00 0.00 H new ATOM 0 HG LEU A 75 -22.766 3.437 3.929 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -21.022 3.956 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.094 5.182 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -19.799 3.961 3.563 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -21.608 1.608 2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.410 1.522 4.058 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -22.114 1.119 4.380 1.00 0.00 H new ATOM 1255 N GLY A 76 -21.838 3.715 8.745 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.465 3.287 10.083 1.00 0.00 C ATOM 1257 C GLY A 76 -19.963 3.194 10.270 1.00 0.00 C ATOM 1258 O GLY A 76 -19.487 2.521 11.184 1.00 0.00 O ATOM 0 H GLY A 76 -21.621 4.688 8.528 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -21.875 3.987 10.811 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -21.913 2.315 10.287 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.213 3.869 9.404 1.00 0.00 N ATOM 1263 CA ILE A 77 -17.757 3.857 9.482 1.00 0.00 C ATOM 1264 C ILE A 77 -17.249 4.937 10.431 1.00 0.00 C ATOM 1265 O ILE A 77 -17.464 6.128 10.203 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.116 4.064 8.096 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -17.758 3.133 7.068 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -15.614 3.830 8.167 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -17.451 3.513 5.634 1.00 0.00 C ATOM 0 H ILE A 77 -19.590 4.431 8.641 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.470 2.877 9.863 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.289 5.093 7.782 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.414 2.114 7.247 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.838 3.135 7.213 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.175 3.980 7.180 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.169 4.532 8.872 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.420 2.810 8.499 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -17.938 2.810 4.959 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -17.820 4.520 5.437 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -16.373 3.483 5.472 1.00 0.00 H new ATOM 1281 N THR A 78 -16.576 4.514 11.496 1.00 0.00 N ATOM 1282 CA THR A 78 -16.041 5.446 12.482 1.00 0.00 C ATOM 1283 C THR A 78 -14.811 6.172 11.935 1.00 0.00 C ATOM 1284 O THR A 78 -13.918 5.546 11.362 1.00 0.00 O ATOM 1285 CB THR A 78 -15.675 4.704 13.769 1.00 0.00 C ATOM 1286 OG1 THR A 78 -15.045 5.576 14.689 1.00 0.00 O ATOM 1287 CG2 THR A 78 -14.747 3.532 13.539 1.00 0.00 C ATOM 0 H THR A 78 -16.388 3.532 11.698 1.00 0.00 H new ATOM 0 HA THR A 78 -16.811 6.185 12.701 1.00 0.00 H new ATOM 0 HB THR A 78 -16.619 4.328 14.164 1.00 0.00 H new ATOM 0 HG1 THR A 78 -14.820 5.083 15.506 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.527 3.050 14.491 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.225 2.815 12.871 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.819 3.885 13.088 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.746 7.507 12.102 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.615 8.307 11.617 1.00 0.00 C ATOM 1297 C PRO A 79 -12.278 7.809 12.151 1.00 0.00 C ATOM 1298 O PRO A 79 -12.138 7.529 13.342 1.00 0.00 O ATOM 1299 CB PRO A 79 -13.911 9.712 12.152 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.384 9.738 12.372 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.766 8.340 12.770 1.00 0.00 C ATOM 0 HA PRO A 79 -13.524 8.260 10.532 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.370 9.904 13.079 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.605 10.478 11.440 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.650 10.452 13.151 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.909 10.044 11.467 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.746 8.210 13.852 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.773 8.088 12.437 1.00 0.00 H new ATOM 1309 N VAL A 80 -11.294 7.701 11.263 1.00 0.00 N ATOM 1310 CA VAL A 80 -9.964 7.238 11.644 1.00 0.00 C ATOM 1311 C VAL A 80 -8.922 8.341 11.469 1.00 0.00 C ATOM 1312 O VAL A 80 -7.872 8.322 12.110 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.540 6.007 10.821 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -8.210 5.460 11.318 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.616 4.934 10.872 1.00 0.00 C ATOM 0 H VAL A 80 -11.393 7.928 10.274 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.017 6.960 12.697 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.414 6.316 9.783 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.929 4.591 10.723 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.442 6.228 11.223 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.305 5.169 12.364 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.299 4.072 10.285 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.777 4.629 11.906 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.545 5.330 10.462 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.218 9.302 10.596 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.305 10.409 10.342 1.00 0.00 C ATOM 1327 C VAL A 81 -9.035 11.746 10.422 1.00 0.00 C ATOM 1328 O VAL A 81 -10.260 11.801 10.317 1.00 0.00 O ATOM 1329 CB VAL A 81 -7.638 10.285 8.960 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -6.675 9.109 8.936 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -8.690 10.142 7.869 1.00 0.00 C ATOM 0 H VAL A 81 -10.082 9.334 10.055 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.534 10.367 11.112 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.070 11.196 8.769 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.213 9.037 7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.902 9.257 9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.219 8.189 9.150 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.199 10.056 6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.287 9.249 8.054 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.338 11.019 7.871 1.00 0.00 H new ATOM 1341 N SER A 82 -8.278 12.822 10.610 1.00 0.00 N ATOM 1342 CA SER A 82 -8.857 14.157 10.705 1.00 0.00 C ATOM 1343 C SER A 82 -8.935 14.817 9.331 1.00 0.00 C ATOM 1344 O SER A 82 -8.117 14.541 8.452 1.00 0.00 O ATOM 1345 CB SER A 82 -8.033 15.025 11.656 1.00 0.00 C ATOM 1346 OG SER A 82 -6.703 15.172 11.190 1.00 0.00 O ATOM 0 H SER A 82 -7.262 12.796 10.700 1.00 0.00 H new ATOM 0 HA SER A 82 -9.869 14.060 11.098 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.498 16.006 11.753 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.026 14.576 12.649 1.00 0.00 H new ATOM 0 HG SER A 82 -6.198 15.733 11.815 1.00 0.00 H new ATOM 1352 N ALA A 83 -9.922 15.688 9.154 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.105 16.387 7.888 1.00 0.00 C ATOM 1354 C ALA A 83 -8.894 17.251 7.556 1.00 0.00 C ATOM 1355 O ALA A 83 -8.427 17.272 6.418 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.366 17.237 7.933 1.00 0.00 C ATOM 0 H ALA A 83 -10.607 15.927 9.871 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.210 15.640 7.101 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.491 17.754 6.981 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.230 16.597 8.115 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.282 17.970 8.735 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.388 17.964 8.559 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.229 18.831 8.374 1.00 0.00 C ATOM 1364 C GLN A 84 -6.050 18.052 7.799 1.00 0.00 C ATOM 1365 O GLN A 84 -5.299 18.564 6.967 1.00 0.00 O ATOM 1366 CB GLN A 84 -6.832 19.477 9.704 1.00 0.00 C ATOM 1367 CG GLN A 84 -6.803 20.996 9.656 1.00 0.00 C ATOM 1368 CD GLN A 84 -5.694 21.532 8.771 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -5.342 20.922 7.761 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -5.137 22.677 9.147 1.00 0.00 N ATOM 0 H GLN A 84 -8.763 17.958 9.508 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.501 19.613 7.665 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.532 19.159 10.476 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -5.848 19.112 9.997 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -7.763 21.362 9.291 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.676 21.385 10.666 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.461 23.148 9.992 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.386 23.085 8.591 1.00 0.00 H new ATOM 1379 N ALA A 85 -5.893 16.810 8.246 1.00 0.00 N ATOM 1380 CA ALA A 85 -4.807 15.960 7.777 1.00 0.00 C ATOM 1381 C ALA A 85 -5.003 15.576 6.315 1.00 0.00 C ATOM 1382 O ALA A 85 -4.055 15.572 5.531 1.00 0.00 O ATOM 1383 CB ALA A 85 -4.703 14.713 8.641 1.00 0.00 C ATOM 0 H ALA A 85 -6.505 16.370 8.933 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.877 16.524 7.857 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.887 14.087 8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.509 15.001 9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.638 14.156 8.590 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.240 15.252 5.953 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.560 14.865 4.584 1.00 0.00 C ATOM 1391 C VAL A 86 -6.376 16.035 3.623 1.00 0.00 C ATOM 1392 O VAL A 86 -5.706 15.908 2.598 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.005 14.346 4.470 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -8.257 13.766 3.086 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.287 13.310 5.548 1.00 0.00 C ATOM 0 H VAL A 86 -7.037 15.250 6.589 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.871 14.065 4.314 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.685 15.185 4.617 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.283 13.404 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.099 14.538 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.570 12.939 2.907 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.313 12.955 5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.600 12.471 5.435 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.150 13.761 6.531 1.00 0.00 H new ATOM 1405 N VAL A 87 -6.974 17.173 3.959 1.00 0.00 N ATOM 1406 CA VAL A 87 -6.876 18.364 3.124 1.00 0.00 C ATOM 1407 C VAL A 87 -5.437 18.858 3.031 1.00 0.00 C ATOM 1408 O VAL A 87 -5.048 19.482 2.043 1.00 0.00 O ATOM 1409 CB VAL A 87 -7.763 19.503 3.662 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -7.798 20.663 2.680 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -9.168 18.993 3.952 1.00 0.00 C ATOM 0 H VAL A 87 -7.532 17.295 4.804 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.223 18.080 2.131 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.333 19.864 4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.429 21.457 3.078 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.788 21.043 2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.202 20.321 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.781 19.811 4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.610 18.603 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.120 18.199 4.698 1.00 0.00 H new ATOM 1421 N ALA A 88 -4.650 18.579 4.065 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.253 19.000 4.096 1.00 0.00 C ATOM 1423 C ALA A 88 -2.354 18.011 3.356 1.00 0.00 C ATOM 1424 O ALA A 88 -1.198 18.314 3.064 1.00 0.00 O ATOM 1425 CB ALA A 88 -2.787 19.166 5.533 1.00 0.00 C ATOM 0 H ALA A 88 -4.955 18.064 4.891 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.181 19.960 3.585 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.743 19.480 5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.398 19.920 6.029 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.885 18.217 6.059 1.00 0.00 H new ATOM 1431 N GLY A 89 -2.888 16.829 3.055 1.00 0.00 N ATOM 1432 CA GLY A 89 -2.111 15.824 2.353 1.00 0.00 C ATOM 1433 C GLY A 89 -0.840 15.449 3.091 1.00 0.00 C ATOM 1434 O GLY A 89 0.146 15.043 2.476 1.00 0.00 O ATOM 0 H GLY A 89 -3.842 16.551 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.721 14.932 2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.855 16.196 1.361 1.00 0.00 H new ATOM 1438 N SER A 90 -0.864 15.589 4.413 1.00 0.00 N ATOM 1439 CA SER A 90 0.296 15.265 5.237 1.00 0.00 C ATOM 1440 C SER A 90 0.012 14.055 6.122 1.00 0.00 C ATOM 1441 O SER A 90 0.532 13.953 7.233 1.00 0.00 O ATOM 1442 CB SER A 90 0.683 16.466 6.102 1.00 0.00 C ATOM 1443 OG SER A 90 0.486 17.683 5.403 1.00 0.00 O ATOM 0 H SER A 90 -1.673 15.924 4.936 1.00 0.00 H new ATOM 0 HA SER A 90 1.126 15.021 4.575 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.088 16.467 7.015 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.727 16.380 6.402 1.00 0.00 H new ATOM 0 HG SER A 90 0.739 18.435 5.978 1.00 0.00 H new ATOM 1449 N ASP A 91 -0.814 13.144 5.623 1.00 0.00 N ATOM 1450 CA ASP A 91 -1.166 11.941 6.369 1.00 0.00 C ATOM 1451 C ASP A 91 -1.605 10.823 5.423 1.00 0.00 C ATOM 1452 O ASP A 91 -2.711 10.297 5.541 1.00 0.00 O ATOM 1453 CB ASP A 91 -2.279 12.246 7.373 1.00 0.00 C ATOM 1454 CG ASP A 91 -2.352 11.220 8.486 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -2.578 10.029 8.183 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -2.184 11.606 9.662 1.00 0.00 O ATOM 0 H ASP A 91 -1.253 13.215 4.705 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.282 11.606 6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.115 13.234 7.804 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.235 12.280 6.851 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.737 10.446 4.470 1.00 0.00 N ATOM 1462 CA PRO A 92 -1.038 9.384 3.501 1.00 0.00 C ATOM 1463 C PRO A 92 -1.267 8.036 4.175 1.00 0.00 C ATOM 1464 O PRO A 92 -2.153 7.278 3.780 1.00 0.00 O ATOM 1465 CB PRO A 92 0.211 9.334 2.613 1.00 0.00 C ATOM 1466 CG PRO A 92 1.288 9.979 3.419 1.00 0.00 C ATOM 1467 CD PRO A 92 0.604 11.017 4.260 1.00 0.00 C ATOM 0 HA PRO A 92 -1.956 9.589 2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.472 8.307 2.357 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.049 9.865 1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.801 9.247 4.042 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.041 10.432 2.774 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.125 11.179 5.203 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.557 11.980 3.752 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.466 7.741 5.194 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.585 6.482 5.920 1.00 0.00 C ATOM 1477 C LEU A 93 -1.982 6.325 6.510 1.00 0.00 C ATOM 1478 O LEU A 93 -2.592 5.260 6.421 1.00 0.00 O ATOM 1479 CB LEU A 93 0.463 6.410 7.033 1.00 0.00 C ATOM 1480 CG LEU A 93 0.844 4.994 7.474 1.00 0.00 C ATOM 1481 CD1 LEU A 93 2.345 4.888 7.694 1.00 0.00 C ATOM 1482 CD2 LEU A 93 0.089 4.609 8.737 1.00 0.00 C ATOM 0 H LEU A 93 0.272 8.357 5.535 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.414 5.667 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.364 6.924 6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.089 6.956 7.899 1.00 0.00 H new ATOM 0 HG LEU A 93 0.565 4.300 6.681 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.596 3.875 8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.866 5.121 6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.650 5.593 8.468 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.372 3.600 9.036 1.00 0.00 H new ATOM 0 HD22 LEU A 93 0.337 5.308 9.536 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.983 4.643 8.545 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.487 7.400 7.111 1.00 0.00 N ATOM 1495 CA GLY A 94 -3.812 7.362 7.701 1.00 0.00 C ATOM 1496 C GLY A 94 -4.901 7.217 6.658 1.00 0.00 C ATOM 1497 O GLY A 94 -5.904 6.542 6.887 1.00 0.00 O ATOM 0 H GLY A 94 -2.003 8.293 7.199 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.871 6.530 8.403 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.979 8.275 8.273 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.700 7.853 5.508 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.671 7.794 4.422 1.00 0.00 C ATOM 1503 C LEU A 95 -5.849 6.359 3.931 1.00 0.00 C ATOM 1504 O LEU A 95 -6.971 5.907 3.697 1.00 0.00 O ATOM 1505 CB LEU A 95 -5.224 8.691 3.266 1.00 0.00 C ATOM 1506 CG LEU A 95 -6.322 9.570 2.667 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -7.458 8.710 2.131 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -6.837 10.558 3.702 1.00 0.00 C ATOM 0 H LEU A 95 -3.873 8.415 5.305 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.629 8.150 4.800 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.416 9.333 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.812 8.062 2.477 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.899 10.135 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.231 9.351 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.076 8.044 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.881 8.119 2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.618 11.176 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.245 10.013 4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.018 11.194 4.037 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.737 5.647 3.785 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.772 4.262 3.330 1.00 0.00 C ATOM 1522 C ILE A 96 -5.500 3.381 4.339 1.00 0.00 C ATOM 1523 O ILE A 96 -6.285 2.509 3.966 1.00 0.00 O ATOM 1524 CB ILE A 96 -3.352 3.707 3.098 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -2.588 4.600 2.118 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -3.415 2.276 2.579 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -1.103 4.318 2.074 1.00 0.00 C ATOM 0 H ILE A 96 -3.801 6.006 3.975 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.310 4.248 2.382 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.821 3.702 4.050 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.004 4.468 1.119 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.743 5.643 2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.404 1.901 2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.926 1.647 3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.961 2.255 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.626 4.988 1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.673 4.478 3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.938 3.285 1.769 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.238 3.620 5.620 1.00 0.00 N ATOM 1540 CA ALA A 97 -5.874 2.851 6.683 1.00 0.00 C ATOM 1541 C ALA A 97 -7.391 2.996 6.621 1.00 0.00 C ATOM 1542 O ALA A 97 -8.128 2.059 6.931 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.354 3.298 8.041 1.00 0.00 C ATOM 0 H ALA A 97 -4.591 4.338 5.946 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.625 1.799 6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.837 2.716 8.825 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.276 3.144 8.087 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.576 4.355 8.185 1.00 0.00 H new ATOM 1549 N TYR A 98 -7.848 4.175 6.214 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.277 4.447 6.105 1.00 0.00 C ATOM 1551 C TYR A 98 -9.897 3.637 4.972 1.00 0.00 C ATOM 1552 O TYR A 98 -10.959 3.034 5.135 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.517 5.940 5.870 1.00 0.00 C ATOM 1554 CG TYR A 98 -10.783 6.464 6.510 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.129 6.104 7.806 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.633 7.319 5.818 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -12.285 6.580 8.396 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -12.790 7.800 6.401 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.112 7.428 7.689 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.263 7.905 8.273 1.00 0.00 O ATOM 0 H TYR A 98 -7.249 4.959 5.954 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.751 4.153 7.042 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.666 6.500 6.258 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.559 6.127 4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.484 5.441 8.363 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.385 7.612 4.808 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.539 6.290 9.405 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.439 8.464 5.850 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.732 8.490 7.642 1.00 0.00 H new ATOM 1570 N LEU A 99 -9.228 3.625 3.824 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.714 2.889 2.663 1.00 0.00 C ATOM 1572 C LEU A 99 -9.862 1.405 2.987 1.00 0.00 C ATOM 1573 O LEU A 99 -10.747 0.729 2.460 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.763 3.071 1.478 1.00 0.00 C ATOM 1575 CG LEU A 99 -8.465 4.524 1.107 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -7.424 4.589 -0.001 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -9.740 5.239 0.684 1.00 0.00 C ATOM 0 H LEU A 99 -8.347 4.117 3.673 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.693 3.287 2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.822 2.570 1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.189 2.570 0.609 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.064 5.028 1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.224 5.631 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.503 4.114 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.798 4.069 -0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.509 6.272 0.424 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -10.170 4.734 -0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -10.456 5.224 1.506 1.00 0.00 H new ATOM 1589 N SER A 100 -8.991 0.904 3.856 1.00 0.00 N ATOM 1590 CA SER A 100 -9.025 -0.499 4.251 1.00 0.00 C ATOM 1591 C SER A 100 -10.364 -0.846 4.896 1.00 0.00 C ATOM 1592 O SER A 100 -10.892 -1.941 4.702 1.00 0.00 O ATOM 1593 CB SER A 100 -7.884 -0.806 5.222 1.00 0.00 C ATOM 1594 OG SER A 100 -6.662 -0.250 4.764 1.00 0.00 O ATOM 0 H SER A 100 -8.252 1.449 4.300 1.00 0.00 H new ATOM 0 HA SER A 100 -8.902 -1.107 3.355 1.00 0.00 H new ATOM 0 HB2 SER A 100 -8.123 -0.406 6.207 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.777 -1.885 5.334 1.00 0.00 H new ATOM 0 HG SER A 100 -5.948 -0.458 5.402 1.00 0.00 H new ATOM 1600 N HIS A 101 -10.908 0.095 5.659 1.00 0.00 N ATOM 1601 CA HIS A 101 -12.185 -0.109 6.333 1.00 0.00 C ATOM 1602 C HIS A 101 -13.341 -0.033 5.339 1.00 0.00 C ATOM 1603 O HIS A 101 -14.278 -0.828 5.400 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.376 0.933 7.436 1.00 0.00 C ATOM 1605 CG HIS A 101 -11.968 0.448 8.792 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -12.527 -0.660 9.397 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -11.048 0.925 9.665 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -11.969 -0.840 10.580 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -11.070 0.106 10.767 1.00 0.00 N ATOM 0 H HIS A 101 -10.484 1.008 5.827 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.178 -1.103 6.780 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.798 1.823 7.188 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -13.424 1.231 7.466 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -10.415 1.788 9.521 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -12.209 -1.629 11.277 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -10.485 0.212 11.596 1.00 0.00 H new ATOM 1618 N PHE A 102 -13.265 0.928 4.424 1.00 0.00 N ATOM 1619 CA PHE A 102 -14.305 1.105 3.416 1.00 0.00 C ATOM 1620 C PHE A 102 -14.390 -0.116 2.506 1.00 0.00 C ATOM 1621 O PHE A 102 -15.478 -0.522 2.097 1.00 0.00 O ATOM 1622 CB PHE A 102 -14.030 2.359 2.584 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.664 3.601 3.146 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -14.083 4.267 4.214 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -15.837 4.101 2.606 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -14.662 5.410 4.733 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -16.421 5.243 3.122 1.00 0.00 C ATOM 1628 CZ PHE A 102 -15.833 5.898 4.186 1.00 0.00 C ATOM 0 H PHE A 102 -12.496 1.595 4.359 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.260 1.222 3.929 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.953 2.510 2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.396 2.200 1.570 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -13.168 3.889 4.645 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -16.301 3.594 1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -14.200 5.921 5.565 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -17.337 5.623 2.693 1.00 0.00 H new ATOM 0 HZ PHE A 102 -16.288 6.790 4.590 1.00 0.00 H new ATOM 1638 N HIS A 103 -13.236 -0.696 2.194 1.00 0.00 N ATOM 1639 CA HIS A 103 -13.181 -1.872 1.334 1.00 0.00 C ATOM 1640 C HIS A 103 -13.883 -3.058 1.986 1.00 0.00 C ATOM 1641 O HIS A 103 -14.659 -3.764 1.343 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.728 -2.235 1.023 1.00 0.00 C ATOM 1643 CG HIS A 103 -11.546 -2.890 -0.311 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -10.314 -3.050 -0.911 1.00 0.00 N ATOM 1645 CD2 HIS A 103 -12.450 -3.429 -1.164 1.00 0.00 C ATOM 1646 CE1 HIS A 103 -10.469 -3.658 -2.074 1.00 0.00 C ATOM 1647 NE2 HIS A 103 -11.755 -3.897 -2.251 1.00 0.00 N ATOM 0 H HIS A 103 -12.327 -0.371 2.524 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.697 -1.634 0.404 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.120 -1.331 1.060 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -11.355 -2.902 1.800 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -13.519 -3.481 -1.016 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.678 -3.916 -2.763 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -12.166 -4.355 -3.064 1.00 0.00 H new ATOM 1656 N SER A 104 -13.606 -3.269 3.270 1.00 0.00 N ATOM 1657 CA SER A 104 -14.211 -4.370 4.011 1.00 0.00 C ATOM 1658 C SER A 104 -15.733 -4.264 3.999 1.00 0.00 C ATOM 1659 O SER A 104 -16.433 -5.271 3.897 1.00 0.00 O ATOM 1660 CB SER A 104 -13.701 -4.379 5.454 1.00 0.00 C ATOM 1661 OG SER A 104 -12.569 -5.223 5.590 1.00 0.00 O ATOM 0 H SER A 104 -12.967 -2.692 3.818 1.00 0.00 H new ATOM 0 HA SER A 104 -13.927 -5.303 3.524 1.00 0.00 H new ATOM 0 HB2 SER A 104 -13.441 -3.365 5.757 1.00 0.00 H new ATOM 0 HB3 SER A 104 -14.494 -4.718 6.121 1.00 0.00 H new ATOM 0 HG SER A 104 -12.261 -5.210 6.520 1.00 0.00 H new ATOM 1667 N ALA A 105 -16.237 -3.040 4.103 1.00 0.00 N ATOM 1668 CA ALA A 105 -17.675 -2.803 4.103 1.00 0.00 C ATOM 1669 C ALA A 105 -18.237 -2.843 2.687 1.00 0.00 C ATOM 1670 O ALA A 105 -19.306 -3.406 2.447 1.00 0.00 O ATOM 1671 CB ALA A 105 -17.991 -1.468 4.761 1.00 0.00 C ATOM 0 H ALA A 105 -15.671 -2.196 4.188 1.00 0.00 H new ATOM 0 HA ALA A 105 -18.149 -3.599 4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -19.069 -1.305 4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -17.632 -1.476 5.790 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.499 -0.666 4.211 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.510 -2.244 1.750 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.936 -2.210 0.357 1.00 0.00 C ATOM 1679 C PHE A 106 -17.941 -3.612 -0.244 1.00 0.00 C ATOM 1680 O PHE A 106 -18.745 -3.918 -1.124 1.00 0.00 O ATOM 1681 CB PHE A 106 -17.012 -1.299 -0.455 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.355 0.160 -0.348 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -17.777 0.704 0.856 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -17.251 0.989 -1.453 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -18.091 2.046 0.954 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.562 2.332 -1.360 1.00 0.00 C ATOM 1687 CZ PHE A 106 -17.982 2.862 -0.156 1.00 0.00 C ATOM 0 H PHE A 106 -16.622 -1.775 1.931 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.951 -1.815 0.321 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.985 -1.447 -0.121 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -17.052 -1.597 -1.503 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -17.861 0.071 1.727 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -16.923 0.581 -2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -18.421 2.457 1.897 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -17.477 2.967 -2.229 1.00 0.00 H new ATOM 0 HZ PHE A 106 -18.225 3.912 -0.082 1.00 0.00 H new ATOM 1697 N LYS A 107 -17.041 -4.461 0.239 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.941 -5.831 -0.249 1.00 0.00 C ATOM 1699 C LYS A 107 -18.031 -6.706 0.363 1.00 0.00 C ATOM 1700 O LYS A 107 -18.516 -7.644 -0.270 1.00 0.00 O ATOM 1701 CB LYS A 107 -15.565 -6.413 0.076 1.00 0.00 C ATOM 1702 CG LYS A 107 -15.149 -7.547 -0.848 1.00 0.00 C ATOM 1703 CD LYS A 107 -14.446 -8.657 -0.084 1.00 0.00 C ATOM 1704 CE LYS A 107 -13.284 -9.235 -0.880 1.00 0.00 C ATOM 1705 NZ LYS A 107 -13.330 -10.722 -0.929 1.00 0.00 N ATOM 0 H LYS A 107 -16.369 -4.224 0.969 1.00 0.00 H new ATOM 0 HA LYS A 107 -17.074 -5.815 -1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.821 -5.618 0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -15.567 -6.775 1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -16.028 -7.950 -1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -14.487 -7.162 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -14.080 -8.270 0.867 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -15.159 -9.448 0.147 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -13.306 -8.837 -1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -12.343 -8.915 -0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.522 -11.076 -1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -13.284 -11.103 0.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -14.216 -11.027 -1.379 1.00 0.00 H new