USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=18 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= -0.329 X(o=-0.33,f=-0.52) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc=-0.00161 X(o=-0.0016,f=-0.17) USER MOD Single : A 16 GLN : amide:sc=-0.00609 K(o=-0.0061,f=-0.65) USER MOD Single : A 17 THR OG1 : rot 91:sc= 1.25 USER MOD Single : A 20 TYR OH : rot 15:sc= -1.1 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot -46:sc= 1.07 USER MOD Single : A 29 SER OG : rot 180:sc= -0.603 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -80:sc= -0.726 USER MOD Single : A 39 CYS SG : rot 95:sc= -4.28! USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.1) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 64 THR OG1 : rot 77:sc= 0.81 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.051) 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= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot -88:sc= 1.28 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.673 X(o=-0.67,f=-0.69) USER MOD Single : A 103 HIS : no HE2:sc= -2.6 X(o=-2.6,f=-2.4!) USER MOD Single : A 104 SER OG : rot 81:sc= 0.38 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N GLN A 6 0.330 -1.015 -3.490 1.00 0.00 N ATOM 202 CA GLN A 6 -0.199 0.343 -3.544 1.00 0.00 C ATOM 203 C GLN A 6 -0.843 0.628 -4.898 1.00 0.00 C ATOM 204 O GLN A 6 -1.809 1.385 -4.989 1.00 0.00 O ATOM 205 CB GLN A 6 0.917 1.355 -3.276 1.00 0.00 C ATOM 206 CG GLN A 6 0.405 2.745 -2.933 1.00 0.00 C ATOM 207 CD GLN A 6 0.344 2.991 -1.438 1.00 0.00 C ATOM 208 OE1 GLN A 6 0.204 2.058 -0.649 1.00 0.00 O ATOM 209 NE2 GLN A 6 0.446 4.255 -1.042 1.00 0.00 N ATOM 0 HA GLN A 6 -0.964 0.438 -2.773 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.537 0.992 -2.456 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.558 1.419 -4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.053 3.491 -3.394 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.589 2.878 -3.360 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.561 4.998 -1.732 1.00 0.00 H new ATOM 0 HE22 GLN A 6 0.409 4.483 -0.048 1.00 0.00 H new ATOM 218 N GLU A 7 -0.299 0.020 -5.948 1.00 0.00 N ATOM 219 CA GLU A 7 -0.817 0.216 -7.298 1.00 0.00 C ATOM 220 C GLU A 7 -2.255 -0.286 -7.414 1.00 0.00 C ATOM 221 O GLU A 7 -3.117 0.404 -7.958 1.00 0.00 O ATOM 222 CB GLU A 7 0.068 -0.506 -8.315 1.00 0.00 C ATOM 223 CG GLU A 7 -0.159 -0.054 -9.748 1.00 0.00 C ATOM 224 CD GLU A 7 1.136 0.213 -10.489 1.00 0.00 C ATOM 225 OE1 GLU A 7 1.864 -0.760 -10.779 1.00 0.00 O ATOM 226 OE2 GLU A 7 1.421 1.394 -10.780 1.00 0.00 O ATOM 0 H GLU A 7 0.500 -0.612 -5.890 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.808 1.285 -7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.114 -0.345 -8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.116 -1.578 -8.248 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -0.726 -0.818 -10.280 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.766 0.851 -9.747 1.00 0.00 H new ATOM 233 N GLU A 8 -2.506 -1.485 -6.903 1.00 0.00 N ATOM 234 CA GLU A 8 -3.842 -2.069 -6.957 1.00 0.00 C ATOM 235 C GLU A 8 -4.823 -1.261 -6.114 1.00 0.00 C ATOM 236 O GLU A 8 -6.009 -1.179 -6.434 1.00 0.00 O ATOM 237 CB GLU A 8 -3.813 -3.524 -6.480 1.00 0.00 C ATOM 238 CG GLU A 8 -3.394 -3.684 -5.027 1.00 0.00 C ATOM 239 CD GLU A 8 -3.945 -4.948 -4.398 1.00 0.00 C ATOM 240 OE1 GLU A 8 -3.729 -6.038 -4.968 1.00 0.00 O ATOM 241 OE2 GLU A 8 -4.594 -4.847 -3.336 1.00 0.00 O ATOM 0 H GLU A 8 -1.806 -2.071 -6.448 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.177 -2.046 -7.994 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.803 -3.960 -6.613 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.128 -4.090 -7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.306 -3.697 -4.966 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.735 -2.820 -4.457 1.00 0.00 H new ATOM 248 N LEU A 9 -4.321 -0.664 -5.038 1.00 0.00 N ATOM 249 CA LEU A 9 -5.155 0.140 -4.152 1.00 0.00 C ATOM 250 C LEU A 9 -5.659 1.388 -4.870 1.00 0.00 C ATOM 251 O LEU A 9 -6.841 1.728 -4.794 1.00 0.00 O ATOM 252 CB LEU A 9 -4.371 0.541 -2.901 1.00 0.00 C ATOM 253 CG LEU A 9 -5.221 0.776 -1.652 1.00 0.00 C ATOM 254 CD1 LEU A 9 -5.220 -0.458 -0.762 1.00 0.00 C ATOM 255 CD2 LEU A 9 -4.716 1.989 -0.883 1.00 0.00 C ATOM 0 H LEU A 9 -3.342 -0.722 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.014 -0.462 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.640 -0.238 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.811 1.451 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.246 0.970 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.830 -0.270 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.630 -1.304 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.199 -0.685 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.333 2.141 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.682 1.824 -0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.771 2.872 -1.519 1.00 0.00 H new ATOM 267 N LEU A 10 -4.755 2.068 -5.570 1.00 0.00 N ATOM 268 CA LEU A 10 -5.106 3.277 -6.304 1.00 0.00 C ATOM 269 C LEU A 10 -6.118 2.969 -7.404 1.00 0.00 C ATOM 270 O LEU A 10 -6.993 3.781 -7.703 1.00 0.00 O ATOM 271 CB LEU A 10 -3.852 3.915 -6.905 1.00 0.00 C ATOM 272 CG LEU A 10 -3.754 5.432 -6.738 1.00 0.00 C ATOM 273 CD1 LEU A 10 -3.110 5.782 -5.405 1.00 0.00 C ATOM 274 CD2 LEU A 10 -2.966 6.043 -7.888 1.00 0.00 C ATOM 0 H LEU A 10 -3.773 1.801 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.561 3.980 -5.606 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.975 3.457 -6.448 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.817 3.679 -7.969 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.762 5.846 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.049 6.866 -5.304 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.712 5.375 -4.592 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.107 5.356 -5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.905 7.123 -7.754 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.961 5.622 -7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.467 5.822 -8.830 1.00 0.00 H new ATOM 286 N ARG A 11 -5.988 1.790 -8.002 1.00 0.00 N ATOM 287 CA ARG A 11 -6.890 1.371 -9.069 1.00 0.00 C ATOM 288 C ARG A 11 -8.317 1.230 -8.551 1.00 0.00 C ATOM 289 O ARG A 11 -9.273 1.621 -9.220 1.00 0.00 O ATOM 290 CB ARG A 11 -6.420 0.044 -9.671 1.00 0.00 C ATOM 291 CG ARG A 11 -5.072 0.136 -10.366 1.00 0.00 C ATOM 292 CD ARG A 11 -5.227 0.389 -11.858 1.00 0.00 C ATOM 293 NE ARG A 11 -4.373 -0.487 -12.655 1.00 0.00 N ATOM 294 CZ ARG A 11 -4.664 -1.758 -12.928 1.00 0.00 C ATOM 295 NH1 ARG A 11 -5.785 -2.302 -12.472 1.00 0.00 N ATOM 296 NH2 ARG A 11 -3.833 -2.486 -13.660 1.00 0.00 N ATOM 0 H ARG A 11 -5.267 1.108 -7.766 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.878 2.138 -9.843 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.362 -0.704 -8.880 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.165 -0.305 -10.386 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.486 0.939 -9.919 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.517 -0.789 -10.209 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.268 0.239 -12.145 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.983 1.429 -12.076 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.503 -0.103 -13.024 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.429 -1.747 -11.909 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.002 -3.276 -12.684 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.970 -2.073 -14.015 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.056 -3.459 -13.869 1.00 0.00 H new ATOM 310 N TRP A 12 -8.453 0.666 -7.355 1.00 0.00 N ATOM 311 CA TRP A 12 -9.763 0.470 -6.744 1.00 0.00 C ATOM 312 C TRP A 12 -10.402 1.807 -6.381 1.00 0.00 C ATOM 313 O TRP A 12 -11.615 1.977 -6.497 1.00 0.00 O ATOM 314 CB TRP A 12 -9.641 -0.407 -5.496 1.00 0.00 C ATOM 315 CG TRP A 12 -10.955 -0.690 -4.838 1.00 0.00 C ATOM 316 CD1 TRP A 12 -11.822 -1.702 -5.136 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.555 0.048 -3.766 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.923 -1.638 -4.316 1.00 0.00 N ATOM 319 CE2 TRP A 12 -12.782 -0.573 -3.467 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.171 1.173 -3.029 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -13.628 -0.106 -2.463 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.013 1.636 -2.034 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.228 0.997 -1.759 1.00 0.00 C ATOM 0 H TRP A 12 -7.671 0.336 -6.789 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.403 -0.031 -7.470 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.169 -1.351 -5.769 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -8.982 0.083 -4.779 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.665 -2.445 -5.904 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.716 -2.279 -4.336 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.235 1.671 -3.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.566 -0.597 -2.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -11.728 2.505 -1.460 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -13.863 1.383 -0.975 1.00 0.00 H new ATOM 334 N CYS A 13 -9.578 2.750 -5.936 1.00 0.00 N ATOM 335 CA CYS A 13 -10.066 4.070 -5.552 1.00 0.00 C ATOM 336 C CYS A 13 -10.632 4.816 -6.757 1.00 0.00 C ATOM 337 O CYS A 13 -11.705 5.412 -6.682 1.00 0.00 O ATOM 338 CB CYS A 13 -8.942 4.887 -4.915 1.00 0.00 C ATOM 339 SG CYS A 13 -8.822 4.708 -3.119 1.00 0.00 S ATOM 0 H CYS A 13 -8.571 2.625 -5.832 1.00 0.00 H new ATOM 0 HA CYS A 13 -10.866 3.934 -4.824 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.994 4.590 -5.363 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.092 5.940 -5.155 1.00 0.00 H new ATOM 0 HG CYS A 13 -7.841 5.436 -2.675 1.00 0.00 H new ATOM 345 N GLN A 14 -9.901 4.780 -7.867 1.00 0.00 N ATOM 346 CA GLN A 14 -10.331 5.453 -9.086 1.00 0.00 C ATOM 347 C GLN A 14 -11.578 4.792 -9.664 1.00 0.00 C ATOM 348 O GLN A 14 -12.458 5.465 -10.199 1.00 0.00 O ATOM 349 CB GLN A 14 -9.208 5.447 -10.124 1.00 0.00 C ATOM 350 CG GLN A 14 -8.706 4.054 -10.470 1.00 0.00 C ATOM 351 CD GLN A 14 -7.867 4.036 -11.732 1.00 0.00 C ATOM 352 OE1 GLN A 14 -7.145 4.989 -12.027 1.00 0.00 O ATOM 353 NE2 GLN A 14 -7.956 2.946 -12.487 1.00 0.00 N ATOM 0 H GLN A 14 -9.009 4.292 -7.947 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.574 6.485 -8.832 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -9.562 5.933 -11.033 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.375 6.042 -9.749 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -8.115 3.668 -9.639 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.557 3.385 -10.594 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -8.567 2.179 -12.205 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.414 2.876 -13.348 1.00 0.00 H new ATOM 362 N GLU A 15 -11.647 3.469 -9.551 1.00 0.00 N ATOM 363 CA GLU A 15 -12.788 2.719 -10.063 1.00 0.00 C ATOM 364 C GLU A 15 -14.054 3.057 -9.281 1.00 0.00 C ATOM 365 O GLU A 15 -15.114 3.286 -9.865 1.00 0.00 O ATOM 366 CB GLU A 15 -12.513 1.216 -9.984 1.00 0.00 C ATOM 367 CG GLU A 15 -13.089 0.430 -11.150 1.00 0.00 C ATOM 368 CD GLU A 15 -13.758 -0.859 -10.712 1.00 0.00 C ATOM 369 OE1 GLU A 15 -14.893 -0.793 -10.196 1.00 0.00 O ATOM 370 OE2 GLU A 15 -13.146 -1.935 -10.884 1.00 0.00 O ATOM 0 H GLU A 15 -10.928 2.896 -9.110 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.939 3.000 -11.105 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.436 1.054 -9.944 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.928 0.827 -9.054 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.814 1.050 -11.678 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.292 0.199 -11.857 1.00 0.00 H new ATOM 377 N GLN A 16 -13.935 3.087 -7.958 1.00 0.00 N ATOM 378 CA GLN A 16 -15.068 3.396 -7.095 1.00 0.00 C ATOM 379 C GLN A 16 -15.475 4.859 -7.233 1.00 0.00 C ATOM 380 O GLN A 16 -16.647 5.206 -7.081 1.00 0.00 O ATOM 381 CB GLN A 16 -14.723 3.083 -5.635 1.00 0.00 C ATOM 382 CG GLN A 16 -15.428 1.847 -5.097 1.00 0.00 C ATOM 383 CD GLN A 16 -15.091 0.596 -5.884 1.00 0.00 C ATOM 384 OE1 GLN A 16 -14.051 0.521 -6.538 1.00 0.00 O ATOM 385 NE2 GLN A 16 -15.975 -0.395 -5.825 1.00 0.00 N ATOM 0 H GLN A 16 -13.064 2.901 -7.460 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.909 2.775 -7.404 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.645 2.945 -5.546 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -14.986 3.940 -5.016 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.151 1.701 -4.053 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -16.506 2.008 -5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.824 -0.289 -5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.804 -1.262 -6.335 1.00 0.00 H new ATOM 394 N THR A 17 -14.500 5.716 -7.522 1.00 0.00 N ATOM 395 CA THR A 17 -14.758 7.142 -7.681 1.00 0.00 C ATOM 396 C THR A 17 -14.992 7.509 -9.145 1.00 0.00 C ATOM 397 O THR A 17 -15.090 8.687 -9.490 1.00 0.00 O ATOM 398 CB THR A 17 -13.587 7.955 -7.125 1.00 0.00 C ATOM 399 OG1 THR A 17 -13.219 7.488 -5.839 1.00 0.00 O ATOM 400 CG2 THR A 17 -13.888 9.434 -7.006 1.00 0.00 C ATOM 0 H THR A 17 -13.525 5.447 -7.651 1.00 0.00 H new ATOM 0 HA THR A 17 -15.664 7.379 -7.123 1.00 0.00 H new ATOM 0 HB THR A 17 -12.777 7.822 -7.842 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.532 6.794 -5.927 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.016 9.952 -6.606 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.129 9.837 -7.990 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.736 9.580 -6.337 1.00 0.00 H new ATOM 408 N ALA A 18 -15.084 6.499 -10.008 1.00 0.00 N ATOM 409 CA ALA A 18 -15.307 6.729 -11.431 1.00 0.00 C ATOM 410 C ALA A 18 -16.788 6.942 -11.725 1.00 0.00 C ATOM 411 O ALA A 18 -17.634 6.149 -11.313 1.00 0.00 O ATOM 412 CB ALA A 18 -14.767 5.563 -12.245 1.00 0.00 C ATOM 0 H ALA A 18 -15.008 5.516 -9.746 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.772 7.635 -11.717 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.940 5.748 -13.305 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.697 5.458 -12.065 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.276 4.646 -11.949 1.00 0.00 H new ATOM 418 N GLY A 19 -17.096 8.018 -12.444 1.00 0.00 N ATOM 419 CA GLY A 19 -18.475 8.312 -12.782 1.00 0.00 C ATOM 420 C GLY A 19 -18.799 9.790 -12.682 1.00 0.00 C ATOM 421 O GLY A 19 -19.709 10.277 -13.351 1.00 0.00 O ATOM 0 H GLY A 19 -16.415 8.690 -12.798 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.678 7.967 -13.796 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -19.135 7.754 -12.118 1.00 0.00 H new ATOM 425 N TYR A 20 -18.055 10.505 -11.843 1.00 0.00 N ATOM 426 CA TYR A 20 -18.275 11.935 -11.661 1.00 0.00 C ATOM 427 C TYR A 20 -17.503 12.743 -12.706 1.00 0.00 C ATOM 428 O TYR A 20 -16.280 12.643 -12.793 1.00 0.00 O ATOM 429 CB TYR A 20 -17.845 12.361 -10.255 1.00 0.00 C ATOM 430 CG TYR A 20 -18.395 11.478 -9.157 1.00 0.00 C ATOM 431 CD1 TYR A 20 -17.799 10.259 -8.857 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.509 11.863 -8.421 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.299 9.448 -7.856 1.00 0.00 C ATOM 434 CE2 TYR A 20 -20.013 11.059 -7.418 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.405 9.853 -7.138 1.00 0.00 C ATOM 436 OH TYR A 20 -19.905 9.049 -6.140 1.00 0.00 O ATOM 0 H TYR A 20 -17.297 10.119 -11.280 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.339 12.133 -11.787 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.756 12.357 -10.201 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.169 13.387 -10.081 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -16.931 9.940 -9.415 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -19.988 12.806 -8.637 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.826 8.502 -7.637 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -20.880 11.373 -6.855 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.243 8.364 -5.909 1.00 0.00 H new ATOM 446 N PRO A 21 -18.207 13.557 -13.517 1.00 0.00 N ATOM 447 CA PRO A 21 -17.569 14.377 -14.554 1.00 0.00 C ATOM 448 C PRO A 21 -16.642 15.438 -13.967 1.00 0.00 C ATOM 449 O PRO A 21 -17.097 16.474 -13.485 1.00 0.00 O ATOM 450 CB PRO A 21 -18.748 15.047 -15.275 1.00 0.00 C ATOM 451 CG PRO A 21 -19.954 14.268 -14.871 1.00 0.00 C ATOM 452 CD PRO A 21 -19.665 13.743 -13.496 1.00 0.00 C ATOM 0 HA PRO A 21 -16.942 13.773 -15.209 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -18.842 16.094 -14.986 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.611 15.026 -16.356 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -20.843 14.898 -14.869 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -20.143 13.452 -15.568 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -19.972 14.446 -12.722 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -20.189 12.807 -13.302 1.00 0.00 H new ATOM 460 N GLY A 22 -15.340 15.172 -14.013 1.00 0.00 N ATOM 461 CA GLY A 22 -14.373 16.112 -13.485 1.00 0.00 C ATOM 462 C GLY A 22 -13.598 15.547 -12.315 1.00 0.00 C ATOM 463 O GLY A 22 -13.059 16.294 -11.499 1.00 0.00 O ATOM 0 H GLY A 22 -14.939 14.321 -14.407 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.677 16.396 -14.275 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -14.887 17.021 -13.172 1.00 0.00 H new ATOM 467 N VAL A 23 -13.540 14.221 -12.233 1.00 0.00 N ATOM 468 CA VAL A 23 -12.821 13.559 -11.155 1.00 0.00 C ATOM 469 C VAL A 23 -11.574 12.859 -11.678 1.00 0.00 C ATOM 470 O VAL A 23 -11.653 11.972 -12.528 1.00 0.00 O ATOM 471 CB VAL A 23 -13.716 12.534 -10.432 1.00 0.00 C ATOM 472 CG1 VAL A 23 -14.150 11.428 -11.385 1.00 0.00 C ATOM 473 CG2 VAL A 23 -12.996 11.952 -9.222 1.00 0.00 C ATOM 0 H VAL A 23 -13.982 13.587 -12.899 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.526 14.332 -10.445 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.610 13.050 -10.082 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.781 10.716 -10.853 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.710 11.861 -12.214 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.270 10.915 -11.772 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -13.644 11.230 -8.725 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.082 11.455 -9.547 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.746 12.754 -8.527 1.00 0.00 H new ATOM 483 N HIS A 24 -10.424 13.263 -11.157 1.00 0.00 N ATOM 484 CA HIS A 24 -9.149 12.680 -11.558 1.00 0.00 C ATOM 485 C HIS A 24 -8.472 12.003 -10.370 1.00 0.00 C ATOM 486 O HIS A 24 -7.495 12.515 -9.822 1.00 0.00 O ATOM 487 CB HIS A 24 -8.228 13.756 -12.140 1.00 0.00 C ATOM 488 CG HIS A 24 -8.839 14.514 -13.277 1.00 0.00 C ATOM 489 ND1 HIS A 24 -9.101 13.947 -14.506 1.00 0.00 N ATOM 490 CD2 HIS A 24 -9.240 15.804 -13.368 1.00 0.00 C ATOM 491 CE1 HIS A 24 -9.634 14.857 -15.304 1.00 0.00 C ATOM 492 NE2 HIS A 24 -9.729 15.991 -14.637 1.00 0.00 N ATOM 0 H HIS A 24 -10.347 13.996 -10.452 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.343 11.930 -12.325 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.957 14.457 -11.350 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.305 13.287 -12.481 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -9.185 16.548 -12.587 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.940 14.699 -16.328 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -10.105 16.865 -15.005 1.00 0.00 H new ATOM 501 N VAL A 25 -9.002 10.851 -9.973 1.00 0.00 N ATOM 502 CA VAL A 25 -8.456 10.107 -8.846 1.00 0.00 C ATOM 503 C VAL A 25 -7.126 9.452 -9.203 1.00 0.00 C ATOM 504 O VAL A 25 -7.091 8.342 -9.736 1.00 0.00 O ATOM 505 CB VAL A 25 -9.435 9.017 -8.368 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.940 8.382 -7.077 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.833 9.593 -8.189 1.00 0.00 C ATOM 0 H VAL A 25 -9.810 10.413 -10.416 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.297 10.827 -8.043 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.484 8.240 -9.131 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.644 7.615 -6.755 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.963 7.930 -7.245 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.858 9.146 -6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.509 8.808 -7.851 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.805 10.392 -7.448 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.186 9.992 -9.140 1.00 0.00 H new ATOM 517 N SER A 26 -6.031 10.143 -8.899 1.00 0.00 N ATOM 518 CA SER A 26 -4.698 9.624 -9.181 1.00 0.00 C ATOM 519 C SER A 26 -3.675 10.168 -8.185 1.00 0.00 C ATOM 520 O SER A 26 -2.472 10.156 -8.447 1.00 0.00 O ATOM 521 CB SER A 26 -4.278 9.980 -10.608 1.00 0.00 C ATOM 522 OG SER A 26 -2.921 9.639 -10.842 1.00 0.00 O ATOM 0 H SER A 26 -6.041 11.063 -8.458 1.00 0.00 H new ATOM 0 HA SER A 26 -4.732 8.539 -9.080 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.916 9.455 -11.319 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.422 11.047 -10.777 1.00 0.00 H new ATOM 0 HG SER A 26 -2.371 9.952 -10.093 1.00 0.00 H new ATOM 528 N ASP A 27 -4.162 10.641 -7.041 1.00 0.00 N ATOM 529 CA ASP A 27 -3.293 11.183 -6.004 1.00 0.00 C ATOM 530 C ASP A 27 -3.747 10.725 -4.623 1.00 0.00 C ATOM 531 O ASP A 27 -4.945 10.638 -4.350 1.00 0.00 O ATOM 532 CB ASP A 27 -3.276 12.712 -6.069 1.00 0.00 C ATOM 533 CG ASP A 27 -2.884 13.228 -7.439 1.00 0.00 C ATOM 534 OD1 ASP A 27 -1.790 12.866 -7.918 1.00 0.00 O ATOM 535 OD2 ASP A 27 -3.671 13.996 -8.033 1.00 0.00 O ATOM 0 H ASP A 27 -5.155 10.659 -6.810 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.284 10.810 -6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.263 13.095 -5.808 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.578 13.097 -5.325 1.00 0.00 H new ATOM 540 N LEU A 28 -2.788 10.431 -3.753 1.00 0.00 N ATOM 541 CA LEU A 28 -3.095 9.982 -2.400 1.00 0.00 C ATOM 542 C LEU A 28 -3.093 11.155 -1.421 1.00 0.00 C ATOM 543 O LEU A 28 -2.669 11.018 -0.274 1.00 0.00 O ATOM 544 CB LEU A 28 -2.084 8.920 -1.954 1.00 0.00 C ATOM 545 CG LEU A 28 -2.562 7.474 -2.090 1.00 0.00 C ATOM 546 CD1 LEU A 28 -1.387 6.548 -2.363 1.00 0.00 C ATOM 547 CD2 LEU A 28 -3.307 7.041 -0.837 1.00 0.00 C ATOM 0 H LEU A 28 -1.791 10.495 -3.960 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.093 9.544 -2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.171 9.041 -2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.823 9.104 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.248 7.414 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.746 5.523 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.896 6.847 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.676 6.610 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.641 6.009 -0.950 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.644 7.115 0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.172 7.687 -0.686 1.00 0.00 H new ATOM 559 N SER A 29 -3.573 12.306 -1.881 1.00 0.00 N ATOM 560 CA SER A 29 -3.625 13.499 -1.042 1.00 0.00 C ATOM 561 C SER A 29 -4.522 14.568 -1.661 1.00 0.00 C ATOM 562 O SER A 29 -5.593 14.872 -1.136 1.00 0.00 O ATOM 563 CB SER A 29 -2.217 14.060 -0.831 1.00 0.00 C ATOM 564 OG SER A 29 -2.263 15.351 -0.253 1.00 0.00 O ATOM 0 H SER A 29 -3.931 12.438 -2.827 1.00 0.00 H new ATOM 0 HA SER A 29 -4.046 13.214 -0.078 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.648 13.390 -0.186 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.693 14.104 -1.786 1.00 0.00 H new ATOM 0 HG SER A 29 -1.351 15.686 -0.127 1.00 0.00 H new ATOM 570 N SER A 30 -4.075 15.137 -2.776 1.00 0.00 N ATOM 571 CA SER A 30 -4.835 16.177 -3.463 1.00 0.00 C ATOM 572 C SER A 30 -6.194 15.655 -3.923 1.00 0.00 C ATOM 573 O SER A 30 -7.190 16.376 -3.889 1.00 0.00 O ATOM 574 CB SER A 30 -4.045 16.704 -4.662 1.00 0.00 C ATOM 575 OG SER A 30 -3.267 17.833 -4.305 1.00 0.00 O ATOM 0 H SER A 30 -3.191 14.896 -3.223 1.00 0.00 H new ATOM 0 HA SER A 30 -5.004 16.991 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.395 15.918 -5.047 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.732 16.971 -5.465 1.00 0.00 H new ATOM 0 HG SER A 30 -2.771 18.149 -5.089 1.00 0.00 H new ATOM 581 N SER A 31 -6.225 14.399 -4.359 1.00 0.00 N ATOM 582 CA SER A 31 -7.461 13.782 -4.829 1.00 0.00 C ATOM 583 C SER A 31 -8.560 13.869 -3.773 1.00 0.00 C ATOM 584 O SER A 31 -9.747 13.869 -4.097 1.00 0.00 O ATOM 585 CB SER A 31 -7.217 12.321 -5.208 1.00 0.00 C ATOM 586 OG SER A 31 -6.271 12.214 -6.256 1.00 0.00 O ATOM 0 H SER A 31 -5.409 13.789 -4.397 1.00 0.00 H new ATOM 0 HA SER A 31 -7.791 14.330 -5.711 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.862 11.771 -4.337 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.156 11.860 -5.514 1.00 0.00 H new ATOM 0 HG SER A 31 -6.711 12.394 -7.113 1.00 0.00 H new ATOM 592 N TRP A 32 -8.158 13.938 -2.508 1.00 0.00 N ATOM 593 CA TRP A 32 -9.111 14.022 -1.405 1.00 0.00 C ATOM 594 C TRP A 32 -9.186 15.440 -0.839 1.00 0.00 C ATOM 595 O TRP A 32 -9.813 15.669 0.195 1.00 0.00 O ATOM 596 CB TRP A 32 -8.726 13.039 -0.296 1.00 0.00 C ATOM 597 CG TRP A 32 -8.307 11.696 -0.810 1.00 0.00 C ATOM 598 CD1 TRP A 32 -7.187 11.409 -1.537 1.00 0.00 C ATOM 599 CD2 TRP A 32 -9.004 10.456 -0.639 1.00 0.00 C ATOM 600 NE1 TRP A 32 -7.144 10.068 -1.827 1.00 0.00 N ATOM 601 CE2 TRP A 32 -8.247 9.460 -1.286 1.00 0.00 C ATOM 602 CE3 TRP A 32 -10.191 10.092 0.000 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -8.643 8.125 -1.314 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -10.583 8.766 -0.027 1.00 0.00 C ATOM 605 CH2 TRP A 32 -9.809 7.797 -0.679 1.00 0.00 C ATOM 0 H TRP A 32 -7.179 13.937 -2.220 1.00 0.00 H new ATOM 0 HA TRP A 32 -10.094 13.760 -1.795 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.912 13.465 0.291 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.573 12.914 0.378 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.444 12.132 -1.840 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.410 9.600 -2.359 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.792 10.833 0.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -8.051 7.376 -1.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -11.500 8.473 0.462 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.140 6.769 -0.680 1.00 0.00 H new ATOM 616 N ALA A 33 -8.545 16.389 -1.518 1.00 0.00 N ATOM 617 CA ALA A 33 -8.543 17.778 -1.074 1.00 0.00 C ATOM 618 C ALA A 33 -9.963 18.306 -0.900 1.00 0.00 C ATOM 619 O ALA A 33 -10.346 18.734 0.190 1.00 0.00 O ATOM 620 CB ALA A 33 -7.774 18.645 -2.059 1.00 0.00 C ATOM 0 H ALA A 33 -8.021 16.220 -2.377 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.049 17.820 -0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.780 19.679 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.745 18.292 -2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.245 18.586 -3.040 1.00 0.00 H new ATOM 626 N ASP A 34 -10.741 18.271 -1.976 1.00 0.00 N ATOM 627 CA ASP A 34 -12.121 18.747 -1.936 1.00 0.00 C ATOM 628 C ASP A 34 -13.051 17.705 -1.314 1.00 0.00 C ATOM 629 O ASP A 34 -14.244 17.957 -1.136 1.00 0.00 O ATOM 630 CB ASP A 34 -12.603 19.106 -3.344 1.00 0.00 C ATOM 631 CG ASP A 34 -12.285 18.025 -4.358 1.00 0.00 C ATOM 632 OD1 ASP A 34 -12.175 16.847 -3.956 1.00 0.00 O ATOM 633 OD2 ASP A 34 -12.147 18.354 -5.555 1.00 0.00 O ATOM 0 H ASP A 34 -10.442 17.919 -2.885 1.00 0.00 H new ATOM 0 HA ASP A 34 -12.146 19.640 -1.312 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.679 19.276 -3.324 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -12.138 20.041 -3.656 1.00 0.00 H new ATOM 638 N GLY A 35 -12.505 16.537 -0.979 1.00 0.00 N ATOM 639 CA GLY A 35 -13.308 15.488 -0.377 1.00 0.00 C ATOM 640 C GLY A 35 -14.176 14.761 -1.387 1.00 0.00 C ATOM 641 O GLY A 35 -15.219 14.210 -1.035 1.00 0.00 O ATOM 0 H GLY A 35 -11.522 16.300 -1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.651 14.770 0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.943 15.921 0.396 1.00 0.00 H new ATOM 645 N LEU A 36 -13.745 14.758 -2.645 1.00 0.00 N ATOM 646 CA LEU A 36 -14.493 14.092 -3.705 1.00 0.00 C ATOM 647 C LEU A 36 -14.334 12.576 -3.619 1.00 0.00 C ATOM 648 O LEU A 36 -15.272 11.829 -3.894 1.00 0.00 O ATOM 649 CB LEU A 36 -14.030 14.591 -5.074 1.00 0.00 C ATOM 650 CG LEU A 36 -14.972 15.594 -5.746 1.00 0.00 C ATOM 651 CD1 LEU A 36 -14.180 16.702 -6.424 1.00 0.00 C ATOM 652 CD2 LEU A 36 -15.875 14.888 -6.747 1.00 0.00 C ATOM 0 H LEU A 36 -12.884 15.208 -2.954 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.548 14.333 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.049 15.053 -4.963 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.905 13.733 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.599 16.046 -4.977 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.867 17.404 -6.896 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.579 17.226 -5.681 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.526 16.270 -7.182 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.538 15.616 -7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.265 14.408 -7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.470 14.134 -6.232 1.00 0.00 H new ATOM 664 N ALA A 37 -13.141 12.131 -3.238 1.00 0.00 N ATOM 665 CA ALA A 37 -12.865 10.705 -3.120 1.00 0.00 C ATOM 666 C ALA A 37 -13.724 10.063 -2.036 1.00 0.00 C ATOM 667 O ALA A 37 -14.329 9.012 -2.248 1.00 0.00 O ATOM 668 CB ALA A 37 -11.388 10.475 -2.830 1.00 0.00 C ATOM 0 H ALA A 37 -12.353 12.735 -3.007 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.117 10.234 -4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.196 9.405 -2.744 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.789 10.887 -3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.120 10.968 -1.895 1.00 0.00 H new ATOM 674 N LEU A 38 -13.777 10.704 -0.873 1.00 0.00 N ATOM 675 CA LEU A 38 -14.565 10.197 0.245 1.00 0.00 C ATOM 676 C LEU A 38 -16.058 10.288 -0.058 1.00 0.00 C ATOM 677 O LEU A 38 -16.805 9.336 0.166 1.00 0.00 O ATOM 678 CB LEU A 38 -14.244 10.975 1.522 1.00 0.00 C ATOM 679 CG LEU A 38 -14.339 10.163 2.815 1.00 0.00 C ATOM 680 CD1 LEU A 38 -13.108 9.287 2.987 1.00 0.00 C ATOM 681 CD2 LEU A 38 -14.508 11.088 4.012 1.00 0.00 C ATOM 0 H LEU A 38 -13.284 11.576 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.304 9.149 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.236 11.381 1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.924 11.824 1.593 1.00 0.00 H new ATOM 0 HG LEU A 38 -15.214 9.516 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -13.193 8.717 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.029 8.601 2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.218 9.915 3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.574 10.495 4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.652 11.759 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.420 11.674 3.893 1.00 0.00 H new ATOM 693 N CYS A 39 -16.483 11.437 -0.573 1.00 0.00 N ATOM 694 CA CYS A 39 -17.885 11.650 -0.910 1.00 0.00 C ATOM 695 C CYS A 39 -18.310 10.740 -2.058 1.00 0.00 C ATOM 696 O CYS A 39 -19.429 10.228 -2.078 1.00 0.00 O ATOM 697 CB CYS A 39 -18.127 13.112 -1.288 1.00 0.00 C ATOM 698 SG CYS A 39 -18.134 14.248 0.118 1.00 0.00 S ATOM 0 H CYS A 39 -15.877 12.234 -0.766 1.00 0.00 H new ATOM 0 HA CYS A 39 -18.484 11.407 -0.033 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -17.356 13.426 -1.991 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -19.082 13.188 -1.807 1.00 0.00 H new ATOM 0 HG CYS A 39 -16.948 14.759 0.269 1.00 0.00 H new ATOM 704 N ALA A 40 -17.406 10.541 -3.012 1.00 0.00 N ATOM 705 CA ALA A 40 -17.683 9.692 -4.163 1.00 0.00 C ATOM 706 C ALA A 40 -18.014 8.270 -3.725 1.00 0.00 C ATOM 707 O ALA A 40 -18.965 7.664 -4.220 1.00 0.00 O ATOM 708 CB ALA A 40 -16.497 9.691 -5.117 1.00 0.00 C ATOM 0 H ALA A 40 -16.475 10.957 -3.010 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.551 10.097 -4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.718 9.052 -5.972 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.307 10.707 -5.462 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.615 9.313 -4.600 1.00 0.00 H new ATOM 714 N LEU A 41 -17.226 7.745 -2.793 1.00 0.00 N ATOM 715 CA LEU A 41 -17.440 6.394 -2.286 1.00 0.00 C ATOM 716 C LEU A 41 -18.792 6.286 -1.590 1.00 0.00 C ATOM 717 O LEU A 41 -19.594 5.405 -1.903 1.00 0.00 O ATOM 718 CB LEU A 41 -16.321 6.006 -1.317 1.00 0.00 C ATOM 719 CG LEU A 41 -14.932 5.886 -1.947 1.00 0.00 C ATOM 720 CD1 LEU A 41 -13.851 6.111 -0.902 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.761 4.526 -2.607 1.00 0.00 C ATOM 0 H LEU A 41 -16.435 8.233 -2.374 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.430 5.708 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.279 6.747 -0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.577 5.053 -0.853 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.835 6.655 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.870 6.022 -1.368 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.960 7.108 -0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.947 5.365 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.767 4.459 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.879 3.741 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.514 4.402 -3.385 1.00 0.00 H new ATOM 733 N VAL A 42 -19.042 7.190 -0.647 1.00 0.00 N ATOM 734 CA VAL A 42 -20.300 7.197 0.087 1.00 0.00 C ATOM 735 C VAL A 42 -21.481 7.380 -0.858 1.00 0.00 C ATOM 736 O VAL A 42 -22.505 6.712 -0.724 1.00 0.00 O ATOM 737 CB VAL A 42 -20.329 8.313 1.151 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.512 8.124 2.090 1.00 0.00 C ATOM 739 CG2 VAL A 42 -19.020 8.351 1.928 1.00 0.00 C ATOM 0 H VAL A 42 -18.390 7.926 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.380 6.232 0.587 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.447 9.270 0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.517 8.920 2.834 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.439 8.156 1.518 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.428 7.160 2.591 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -19.062 9.145 2.673 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.865 7.394 2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.195 8.541 1.242 1.00 0.00 H new ATOM 749 N TYR A 43 -21.327 8.288 -1.816 1.00 0.00 N ATOM 750 CA TYR A 43 -22.379 8.560 -2.788 1.00 0.00 C ATOM 751 C TYR A 43 -22.715 7.302 -3.584 1.00 0.00 C ATOM 752 O TYR A 43 -23.877 7.048 -3.901 1.00 0.00 O ATOM 753 CB TYR A 43 -21.951 9.682 -3.737 1.00 0.00 C ATOM 754 CG TYR A 43 -22.990 10.020 -4.783 1.00 0.00 C ATOM 755 CD1 TYR A 43 -24.027 10.899 -4.502 1.00 0.00 C ATOM 756 CD2 TYR A 43 -22.931 9.458 -6.053 1.00 0.00 C ATOM 757 CE1 TYR A 43 -24.979 11.209 -5.455 1.00 0.00 C ATOM 758 CE2 TYR A 43 -23.880 9.764 -7.011 1.00 0.00 C ATOM 759 CZ TYR A 43 -24.901 10.639 -6.707 1.00 0.00 C ATOM 760 OH TYR A 43 -25.847 10.945 -7.658 1.00 0.00 O ATOM 0 H TYR A 43 -20.484 8.848 -1.940 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.270 8.877 -2.246 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.731 10.576 -3.153 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -21.026 9.392 -4.236 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -24.091 11.348 -3.522 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -22.132 8.772 -6.295 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -25.780 11.894 -5.220 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -23.822 9.319 -7.993 1.00 0.00 H new ATOM 0 HH TYR A 43 -25.647 10.460 -8.486 1.00 0.00 H new ATOM 770 N ARG A 44 -21.690 6.517 -3.901 1.00 0.00 N ATOM 771 CA ARG A 44 -21.879 5.285 -4.658 1.00 0.00 C ATOM 772 C ARG A 44 -22.745 4.304 -3.876 1.00 0.00 C ATOM 773 O ARG A 44 -23.621 3.647 -4.439 1.00 0.00 O ATOM 774 CB ARG A 44 -20.527 4.649 -4.983 1.00 0.00 C ATOM 775 CG ARG A 44 -20.564 3.726 -6.192 1.00 0.00 C ATOM 776 CD ARG A 44 -20.363 2.274 -5.796 1.00 0.00 C ATOM 777 NE ARG A 44 -20.422 1.378 -6.949 1.00 0.00 N ATOM 778 CZ ARG A 44 -19.423 1.218 -7.815 1.00 0.00 C ATOM 779 NH1 ARG A 44 -18.289 1.892 -7.664 1.00 0.00 N ATOM 780 NH2 ARG A 44 -19.558 0.383 -8.837 1.00 0.00 N ATOM 0 H ARG A 44 -20.722 6.712 -3.646 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.387 5.529 -5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -19.797 5.438 -5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.182 4.085 -4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -21.520 3.835 -6.704 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -19.789 4.021 -6.899 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -19.398 2.164 -5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -21.127 1.986 -5.074 1.00 0.00 H new ATOM 0 HE ARG A 44 -21.278 0.844 -7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -18.179 2.537 -6.881 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.528 1.765 -8.331 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -20.427 -0.137 -8.960 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.793 0.261 -9.500 1.00 0.00 H new ATOM 794 N LEU A 45 -22.498 4.212 -2.574 1.00 0.00 N ATOM 795 CA LEU A 45 -23.260 3.316 -1.713 1.00 0.00 C ATOM 796 C LEU A 45 -24.644 3.890 -1.431 1.00 0.00 C ATOM 797 O LEU A 45 -25.608 3.150 -1.236 1.00 0.00 O ATOM 798 CB LEU A 45 -22.513 3.077 -0.398 1.00 0.00 C ATOM 799 CG LEU A 45 -21.521 1.914 -0.419 1.00 0.00 C ATOM 800 CD1 LEU A 45 -22.258 0.587 -0.520 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.541 2.069 -1.571 1.00 0.00 C ATOM 0 H LEU A 45 -21.776 4.747 -2.092 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.377 2.364 -2.230 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.976 3.988 -0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.244 2.897 0.390 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.958 1.925 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -21.536 -0.230 -0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.920 0.472 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.847 0.567 -1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.843 1.232 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -21.087 2.084 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -19.989 3.002 -1.456 1.00 0.00 H new ATOM 813 N GLN A 46 -24.735 5.217 -1.413 1.00 0.00 N ATOM 814 CA GLN A 46 -25.998 5.898 -1.159 1.00 0.00 C ATOM 815 C GLN A 46 -26.039 7.243 -1.884 1.00 0.00 C ATOM 816 O GLN A 46 -25.757 8.285 -1.294 1.00 0.00 O ATOM 817 CB GLN A 46 -26.198 6.102 0.346 1.00 0.00 C ATOM 818 CG GLN A 46 -27.421 5.386 0.897 1.00 0.00 C ATOM 819 CD GLN A 46 -27.063 4.306 1.899 1.00 0.00 C ATOM 820 OE1 GLN A 46 -25.975 3.734 1.850 1.00 0.00 O ATOM 821 NE2 GLN A 46 -27.982 4.021 2.815 1.00 0.00 N ATOM 0 H GLN A 46 -23.945 5.843 -1.572 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.807 5.275 -1.540 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -25.312 5.749 0.874 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -26.288 7.169 0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -28.080 6.113 1.372 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -27.979 4.941 0.073 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -28.871 4.521 2.818 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -27.798 3.302 3.515 1.00 0.00 H new ATOM 830 N PRO A 47 -26.389 7.235 -3.182 1.00 0.00 N ATOM 831 CA PRO A 47 -26.460 8.458 -3.989 1.00 0.00 C ATOM 832 C PRO A 47 -27.615 9.365 -3.578 1.00 0.00 C ATOM 833 O PRO A 47 -27.566 10.578 -3.780 1.00 0.00 O ATOM 834 CB PRO A 47 -26.674 7.934 -5.411 1.00 0.00 C ATOM 835 CG PRO A 47 -27.310 6.600 -5.234 1.00 0.00 C ATOM 836 CD PRO A 47 -26.735 6.033 -3.965 1.00 0.00 C ATOM 0 HA PRO A 47 -25.566 9.070 -3.874 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -27.313 8.603 -5.987 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.729 7.853 -5.949 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -28.394 6.690 -5.165 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -27.098 5.950 -6.083 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.457 5.406 -3.441 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.859 5.415 -4.161 1.00 0.00 H new ATOM 844 N GLY A 48 -28.655 8.770 -3.003 1.00 0.00 N ATOM 845 CA GLY A 48 -29.807 9.543 -2.578 1.00 0.00 C ATOM 846 C GLY A 48 -29.560 10.297 -1.284 1.00 0.00 C ATOM 847 O GLY A 48 -30.081 11.394 -1.088 1.00 0.00 O ATOM 0 H GLY A 48 -28.721 7.768 -2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.073 10.252 -3.362 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.659 8.876 -2.448 1.00 0.00 H new ATOM 851 N LEU A 49 -28.768 9.703 -0.397 1.00 0.00 N ATOM 852 CA LEU A 49 -28.460 10.325 0.886 1.00 0.00 C ATOM 853 C LEU A 49 -27.100 11.014 0.854 1.00 0.00 C ATOM 854 O LEU A 49 -26.439 11.149 1.884 1.00 0.00 O ATOM 855 CB LEU A 49 -28.485 9.276 2.002 1.00 0.00 C ATOM 856 CG LEU A 49 -29.862 9.011 2.611 1.00 0.00 C ATOM 857 CD1 LEU A 49 -29.860 7.700 3.381 1.00 0.00 C ATOM 858 CD2 LEU A 49 -30.274 10.164 3.515 1.00 0.00 C ATOM 0 H LEU A 49 -28.329 8.794 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 49 -29.221 11.080 1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -28.093 8.339 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -27.809 9.596 2.795 1.00 0.00 H new ATOM 0 HG LEU A 49 -30.589 8.932 1.803 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -30.848 7.527 3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -29.608 6.882 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -29.122 7.750 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -31.256 9.960 3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -29.546 10.274 4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -30.315 11.085 2.934 1.00 0.00 H new ATOM 870 N LEU A 50 -26.684 11.451 -0.330 1.00 0.00 N ATOM 871 CA LEU A 50 -25.399 12.124 -0.486 1.00 0.00 C ATOM 872 C LEU A 50 -25.497 13.264 -1.497 1.00 0.00 C ATOM 873 O LEU A 50 -26.453 13.346 -2.268 1.00 0.00 O ATOM 874 CB LEU A 50 -24.325 11.126 -0.926 1.00 0.00 C ATOM 875 CG LEU A 50 -23.477 10.540 0.205 1.00 0.00 C ATOM 876 CD1 LEU A 50 -22.873 11.650 1.052 1.00 0.00 C ATOM 877 CD2 LEU A 50 -24.308 9.599 1.066 1.00 0.00 C ATOM 0 H LEU A 50 -27.217 11.352 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.120 12.544 0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.809 10.307 -1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -23.662 11.620 -1.637 1.00 0.00 H new ATOM 0 HG LEU A 50 -22.663 9.967 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -22.274 11.213 1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -22.241 12.281 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.671 12.252 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -23.687 9.193 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -25.145 10.146 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -24.688 8.783 0.451 1.00 0.00 H new ATOM 889 N GLU A 51 -24.498 14.140 -1.487 1.00 0.00 N ATOM 890 CA GLU A 51 -24.461 15.277 -2.401 1.00 0.00 C ATOM 891 C GLU A 51 -23.022 15.735 -2.633 1.00 0.00 C ATOM 892 O GLU A 51 -22.647 16.849 -2.266 1.00 0.00 O ATOM 893 CB GLU A 51 -25.298 16.432 -1.846 1.00 0.00 C ATOM 894 CG GLU A 51 -26.791 16.265 -2.074 1.00 0.00 C ATOM 895 CD GLU A 51 -27.149 16.153 -3.542 1.00 0.00 C ATOM 896 OE1 GLU A 51 -26.644 16.972 -4.340 1.00 0.00 O ATOM 897 OE2 GLU A 51 -27.931 15.247 -3.896 1.00 0.00 O ATOM 0 H GLU A 51 -23.700 14.084 -0.854 1.00 0.00 H new ATOM 0 HA GLU A 51 -24.883 14.963 -3.356 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -25.110 16.525 -0.776 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -24.970 17.363 -2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.137 15.374 -1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.318 17.114 -1.639 1.00 0.00 H new ATOM 904 N PRO A 52 -22.193 14.874 -3.249 1.00 0.00 N ATOM 905 CA PRO A 52 -20.788 15.186 -3.531 1.00 0.00 C ATOM 906 C PRO A 52 -20.626 16.445 -4.374 1.00 0.00 C ATOM 907 O PRO A 52 -19.794 17.300 -4.075 1.00 0.00 O ATOM 908 CB PRO A 52 -20.282 13.957 -4.300 1.00 0.00 C ATOM 909 CG PRO A 52 -21.512 13.247 -4.758 1.00 0.00 C ATOM 910 CD PRO A 52 -22.558 13.530 -3.721 1.00 0.00 C ATOM 0 HA PRO A 52 -20.233 15.385 -2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.659 14.250 -5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.673 13.317 -3.662 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.827 13.604 -5.739 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.333 12.176 -4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.563 13.509 -4.143 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.536 12.798 -2.914 1.00 0.00 H new ATOM 918 N SER A 53 -21.420 16.551 -5.433 1.00 0.00 N ATOM 919 CA SER A 53 -21.359 17.705 -6.323 1.00 0.00 C ATOM 920 C SER A 53 -21.540 19.010 -5.549 1.00 0.00 C ATOM 921 O SER A 53 -21.000 20.048 -5.931 1.00 0.00 O ATOM 922 CB SER A 53 -22.428 17.595 -7.409 1.00 0.00 C ATOM 923 OG SER A 53 -23.717 17.426 -6.843 1.00 0.00 O ATOM 0 H SER A 53 -22.114 15.852 -5.697 1.00 0.00 H new ATOM 0 HA SER A 53 -20.373 17.715 -6.788 1.00 0.00 H new ATOM 0 HB2 SER A 53 -22.415 18.492 -8.029 1.00 0.00 H new ATOM 0 HB3 SER A 53 -22.201 16.753 -8.062 1.00 0.00 H new ATOM 0 HG SER A 53 -24.383 17.360 -7.559 1.00 0.00 H new ATOM 929 N GLU A 54 -22.307 18.952 -4.466 1.00 0.00 N ATOM 930 CA GLU A 54 -22.561 20.133 -3.647 1.00 0.00 C ATOM 931 C GLU A 54 -21.318 20.542 -2.860 1.00 0.00 C ATOM 932 O GLU A 54 -20.919 21.704 -2.876 1.00 0.00 O ATOM 933 CB GLU A 54 -23.721 19.873 -2.685 1.00 0.00 C ATOM 934 CG GLU A 54 -24.320 21.142 -2.100 1.00 0.00 C ATOM 935 CD GLU A 54 -25.401 20.856 -1.076 1.00 0.00 C ATOM 936 OE1 GLU A 54 -26.514 20.460 -1.482 1.00 0.00 O ATOM 937 OE2 GLU A 54 -25.136 21.029 0.133 1.00 0.00 O ATOM 0 H GLU A 54 -22.763 18.102 -4.135 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.825 20.951 -4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -24.501 19.321 -3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.372 19.237 -1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.530 21.732 -1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.737 21.747 -2.905 1.00 0.00 H new ATOM 944 N LEU A 55 -20.713 19.580 -2.172 1.00 0.00 N ATOM 945 CA LEU A 55 -19.518 19.839 -1.371 1.00 0.00 C ATOM 946 C LEU A 55 -18.248 19.788 -2.219 1.00 0.00 C ATOM 947 O LEU A 55 -17.165 20.138 -1.751 1.00 0.00 O ATOM 948 CB LEU A 55 -19.421 18.827 -0.231 1.00 0.00 C ATOM 949 CG LEU A 55 -20.729 18.567 0.518 1.00 0.00 C ATOM 950 CD1 LEU A 55 -20.838 17.101 0.910 1.00 0.00 C ATOM 951 CD2 LEU A 55 -20.824 19.457 1.749 1.00 0.00 C ATOM 0 H LEU A 55 -21.030 18.611 -2.152 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.607 20.845 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.057 17.882 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.675 19.177 0.483 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.559 18.807 -0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -21.775 16.935 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -20.815 16.482 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.002 16.834 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.761 19.259 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -19.987 19.247 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.792 20.503 1.445 1.00 0.00 H new ATOM 963 N GLN A 56 -18.382 19.333 -3.458 1.00 0.00 N ATOM 964 CA GLN A 56 -17.242 19.215 -4.361 1.00 0.00 C ATOM 965 C GLN A 56 -16.579 20.567 -4.606 1.00 0.00 C ATOM 966 O GLN A 56 -15.359 20.649 -4.753 1.00 0.00 O ATOM 967 CB GLN A 56 -17.693 18.607 -5.691 1.00 0.00 C ATOM 968 CG GLN A 56 -16.584 18.508 -6.727 1.00 0.00 C ATOM 969 CD GLN A 56 -16.876 19.320 -7.974 1.00 0.00 C ATOM 970 OE1 GLN A 56 -17.876 19.096 -8.655 1.00 0.00 O ATOM 971 NE2 GLN A 56 -15.999 20.270 -8.280 1.00 0.00 N ATOM 0 H GLN A 56 -19.271 19.039 -3.862 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.507 18.562 -3.890 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.096 17.611 -5.507 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.505 19.209 -6.098 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.648 18.851 -6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -16.442 17.463 -7.003 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -15.183 20.421 -7.687 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.142 20.848 -9.108 1.00 0.00 H new ATOM 980 N GLY A 57 -17.379 21.623 -4.659 1.00 0.00 N ATOM 981 CA GLY A 57 -16.834 22.948 -4.894 1.00 0.00 C ATOM 982 C GLY A 57 -17.092 23.907 -3.749 1.00 0.00 C ATOM 983 O GLY A 57 -16.352 24.873 -3.564 1.00 0.00 O ATOM 0 H GLY A 57 -18.392 21.588 -4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.759 22.869 -5.059 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.267 23.356 -5.807 1.00 0.00 H new ATOM 987 N LEU A 58 -18.144 23.647 -2.980 1.00 0.00 N ATOM 988 CA LEU A 58 -18.496 24.499 -1.850 1.00 0.00 C ATOM 989 C LEU A 58 -17.308 24.696 -0.914 1.00 0.00 C ATOM 990 O LEU A 58 -17.134 25.768 -0.335 1.00 0.00 O ATOM 991 CB LEU A 58 -19.674 23.898 -1.083 1.00 0.00 C ATOM 992 CG LEU A 58 -21.001 24.623 -1.287 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.587 24.298 -2.652 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.981 24.264 -0.181 1.00 0.00 C ATOM 0 H LEU A 58 -18.768 22.852 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.783 25.475 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.794 22.857 -1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.435 23.897 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.815 25.696 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.533 24.825 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -20.891 24.611 -3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.757 23.224 -2.729 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.922 24.790 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -22.161 23.189 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -21.564 24.555 0.783 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.494 23.657 -0.772 1.00 0.00 N ATOM 1007 CA GLY A 59 -15.334 23.744 0.095 1.00 0.00 C ATOM 1008 C GLY A 59 -14.719 22.389 0.387 1.00 0.00 C ATOM 1009 O GLY A 59 -15.417 21.376 0.415 1.00 0.00 O ATOM 0 H GLY A 59 -16.615 22.759 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.585 24.386 -0.370 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.622 24.218 1.034 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.408 22.375 0.608 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.698 21.136 0.903 1.00 0.00 C ATOM 1015 C ALA A 60 -12.909 20.715 2.352 1.00 0.00 C ATOM 1016 O ALA A 60 -13.350 19.599 2.627 1.00 0.00 O ATOM 1017 CB ALA A 60 -11.213 21.300 0.610 1.00 0.00 C ATOM 0 H ALA A 60 -12.817 23.206 0.588 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.101 20.352 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.693 20.369 0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.075 21.549 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.806 22.100 1.228 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.593 21.617 3.277 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.750 21.337 4.701 1.00 0.00 C ATOM 1025 C LEU A 61 -14.198 20.992 5.028 1.00 0.00 C ATOM 1026 O LEU A 61 -14.469 20.092 5.822 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.299 22.541 5.531 1.00 0.00 C ATOM 1028 CG LEU A 61 -10.785 22.676 5.706 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -10.386 24.141 5.792 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -10.324 21.923 6.947 1.00 0.00 C ATOM 0 H LEU A 61 -12.228 22.546 3.067 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.125 20.479 4.950 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -12.678 23.449 5.062 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -12.759 22.476 6.517 1.00 0.00 H new ATOM 0 HG LEU A 61 -10.297 22.238 4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.306 24.217 5.916 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.683 24.653 4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.883 24.604 6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.245 22.029 7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.820 22.333 7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -10.576 20.867 6.847 1.00 0.00 H new ATOM 1042 N GLU A 62 -15.127 21.716 4.410 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.549 21.485 4.635 1.00 0.00 C ATOM 1044 C GLU A 62 -16.988 20.163 4.014 1.00 0.00 C ATOM 1045 O GLU A 62 -17.844 19.465 4.556 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.372 22.638 4.052 1.00 0.00 C ATOM 1047 CG GLU A 62 -18.506 23.093 4.957 1.00 0.00 C ATOM 1048 CD GLU A 62 -18.953 24.510 4.659 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -18.163 25.270 4.061 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -20.095 24.861 5.025 1.00 0.00 O ATOM 0 H GLU A 62 -14.920 22.466 3.751 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.720 21.434 5.710 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.712 23.483 3.858 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.786 22.329 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.353 22.416 4.841 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.185 23.028 5.997 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.395 19.826 2.874 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.724 18.587 2.178 1.00 0.00 C ATOM 1059 C ALA A 63 -16.280 17.372 2.984 1.00 0.00 C ATOM 1060 O ALA A 63 -17.017 16.394 3.105 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.081 18.571 0.800 1.00 0.00 C ATOM 0 H ALA A 63 -15.684 20.393 2.412 1.00 0.00 H new ATOM 0 HA ALA A 63 -17.807 18.539 2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.334 17.641 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.449 19.415 0.217 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.998 18.645 0.903 1.00 0.00 H new ATOM 1067 N THR A 64 -15.071 17.442 3.533 1.00 0.00 N ATOM 1068 CA THR A 64 -14.528 16.345 4.326 1.00 0.00 C ATOM 1069 C THR A 64 -15.341 16.140 5.602 1.00 0.00 C ATOM 1070 O THR A 64 -15.756 15.023 5.912 1.00 0.00 O ATOM 1071 CB THR A 64 -13.066 16.621 4.678 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.433 17.359 3.649 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.258 15.361 4.904 1.00 0.00 C ATOM 0 H THR A 64 -14.450 18.246 3.443 1.00 0.00 H new ATOM 0 HA THR A 64 -14.587 15.434 3.730 1.00 0.00 H new ATOM 0 HB THR A 64 -13.094 17.187 5.609 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.706 18.298 3.705 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.230 15.627 5.150 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.692 14.793 5.727 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.269 14.754 3.998 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.561 17.224 6.338 1.00 0.00 N ATOM 1082 CA ALA A 65 -16.323 17.161 7.580 1.00 0.00 C ATOM 1083 C ALA A 65 -17.729 16.623 7.339 1.00 0.00 C ATOM 1084 O ALA A 65 -18.227 15.795 8.100 1.00 0.00 O ATOM 1085 CB ALA A 65 -16.386 18.536 8.229 1.00 0.00 C ATOM 0 H ALA A 65 -15.223 18.156 6.097 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.813 16.474 8.255 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.958 18.475 9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.376 18.882 8.448 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.870 19.237 7.549 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.365 17.101 6.274 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.715 16.668 5.932 1.00 0.00 C ATOM 1093 C TRP A 66 -19.730 15.199 5.521 1.00 0.00 C ATOM 1094 O TRP A 66 -20.596 14.435 5.950 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.278 17.531 4.802 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.770 17.659 4.839 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.501 18.506 5.620 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -22.714 16.915 4.059 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -23.842 18.334 5.377 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -23.999 17.363 4.421 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -22.597 15.914 3.091 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -25.157 16.844 3.848 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -23.748 15.400 2.523 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -25.013 15.867 2.903 1.00 0.00 C ATOM 0 H TRP A 66 -17.967 17.788 5.633 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.341 16.784 6.817 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -19.834 18.525 4.858 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -19.981 17.102 3.845 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -22.086 19.209 6.327 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.598 18.845 5.833 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -21.626 15.549 2.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -26.134 17.201 4.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -23.671 14.626 1.774 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -25.893 15.446 2.439 1.00 0.00 H new ATOM 1115 N ALA A 67 -18.771 14.812 4.686 1.00 0.00 N ATOM 1116 CA ALA A 67 -18.678 13.436 4.215 1.00 0.00 C ATOM 1117 C ALA A 67 -18.405 12.474 5.367 1.00 0.00 C ATOM 1118 O ALA A 67 -18.953 11.374 5.409 1.00 0.00 O ATOM 1119 CB ALA A 67 -17.591 13.311 3.159 1.00 0.00 C ATOM 0 H ALA A 67 -18.048 15.432 4.322 1.00 0.00 H new ATOM 0 HA ALA A 67 -19.637 13.169 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -17.533 12.278 2.817 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -17.827 13.960 2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -16.633 13.606 3.587 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.553 12.893 6.294 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.206 12.064 7.443 1.00 0.00 C ATOM 1127 C LEU A 68 -18.421 11.810 8.330 1.00 0.00 C ATOM 1128 O LEU A 68 -18.647 10.687 8.781 1.00 0.00 O ATOM 1129 CB LEU A 68 -16.097 12.731 8.260 1.00 0.00 C ATOM 1130 CG LEU A 68 -14.736 12.805 7.565 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -13.926 13.974 8.103 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -13.977 11.500 7.743 1.00 0.00 C ATOM 0 H LEU A 68 -17.089 13.801 6.273 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.851 11.104 7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -16.413 13.742 8.515 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -15.980 12.187 9.197 1.00 0.00 H new ATOM 0 HG LEU A 68 -14.900 12.964 6.499 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.961 14.011 7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -14.466 14.904 7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.770 13.846 9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.011 11.570 7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.822 11.311 8.805 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -14.552 10.682 7.309 1.00 0.00 H new ATOM 1144 N LYS A 69 -19.198 12.858 8.581 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.386 12.745 9.420 1.00 0.00 C ATOM 1146 C LYS A 69 -21.470 11.915 8.739 1.00 0.00 C ATOM 1147 O LYS A 69 -22.043 11.010 9.345 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.931 14.134 9.757 1.00 0.00 C ATOM 1149 CG LYS A 69 -20.311 14.746 11.003 1.00 0.00 C ATOM 1150 CD LYS A 69 -21.037 16.014 11.420 1.00 0.00 C ATOM 1151 CE LYS A 69 -20.134 16.932 12.228 1.00 0.00 C ATOM 1152 NZ LYS A 69 -19.566 18.026 11.396 1.00 0.00 N ATOM 0 H LYS A 69 -19.027 13.795 8.216 1.00 0.00 H new ATOM 0 HA LYS A 69 -20.096 12.238 10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -20.757 14.799 8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -22.010 14.068 9.893 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -20.341 14.023 11.818 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -19.261 14.971 10.815 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -21.392 16.539 10.534 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -21.916 15.754 12.010 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -20.700 17.361 13.055 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.323 16.350 12.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -18.956 18.629 11.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.005 17.618 10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.339 18.598 10.999 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.750 12.230 7.478 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.768 11.510 6.721 1.00 0.00 C ATOM 1168 C VAL A 70 -22.335 10.077 6.435 1.00 0.00 C ATOM 1169 O VAL A 70 -23.137 9.150 6.523 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.088 12.217 5.391 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -23.685 13.591 5.645 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -21.841 12.322 4.526 1.00 0.00 C ATOM 0 H VAL A 70 -21.287 12.977 6.960 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.666 11.496 7.339 1.00 0.00 H new ATOM 0 HB VAL A 70 -23.825 11.620 4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -23.904 14.074 4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.605 13.487 6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -22.974 14.199 6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.088 12.824 3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -21.079 12.894 5.055 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.462 11.323 4.312 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.061 9.901 6.098 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.530 8.574 5.809 1.00 0.00 C ATOM 1184 C ALA A 71 -20.771 7.637 6.985 1.00 0.00 C ATOM 1185 O ALA A 71 -21.223 6.505 6.811 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.044 8.653 5.488 1.00 0.00 C ATOM 0 H ALA A 71 -20.380 10.657 6.019 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.050 8.176 4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.664 7.654 5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.893 9.292 4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.509 9.070 6.341 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.475 8.126 8.183 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.670 7.344 9.396 1.00 0.00 C ATOM 1194 C GLU A 72 -22.156 7.164 9.684 1.00 0.00 C ATOM 1195 O GLU A 72 -22.589 6.110 10.144 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.987 8.027 10.583 1.00 0.00 C ATOM 1197 CG GLU A 72 -20.046 7.216 11.867 1.00 0.00 C ATOM 1198 CD GLU A 72 -21.220 7.600 12.745 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -21.336 8.794 13.092 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -22.024 6.707 13.086 1.00 0.00 O ATOM 0 H GLU A 72 -20.099 9.061 8.340 1.00 0.00 H new ATOM 0 HA GLU A 72 -20.222 6.362 9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.944 8.218 10.331 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.456 8.996 10.753 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.113 6.156 11.620 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.119 7.356 12.424 1.00 0.00 H new ATOM 1207 N ASN A 73 -22.937 8.204 9.413 1.00 0.00 N ATOM 1208 CA ASN A 73 -24.373 8.158 9.650 1.00 0.00 C ATOM 1209 C ASN A 73 -25.068 7.211 8.675 1.00 0.00 C ATOM 1210 O ASN A 73 -25.973 6.468 9.055 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.972 9.562 9.526 1.00 0.00 C ATOM 1212 CG ASN A 73 -25.151 10.236 10.872 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -24.678 11.351 11.091 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -25.838 9.558 11.784 1.00 0.00 N ATOM 0 H ASN A 73 -22.600 9.087 9.030 1.00 0.00 H new ATOM 0 HA ASN A 73 -24.533 7.782 10.661 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.325 10.176 8.899 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.937 9.499 9.023 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -25.991 9.959 12.709 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -26.212 8.636 11.559 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.648 7.253 7.416 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.239 6.410 6.380 1.00 0.00 C ATOM 1223 C GLU A 74 -24.672 4.990 6.393 1.00 0.00 C ATOM 1224 O GLU A 74 -25.409 4.020 6.224 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.020 7.042 5.003 1.00 0.00 C ATOM 1226 CG GLU A 74 -26.236 7.790 4.478 1.00 0.00 C ATOM 1227 CD GLU A 74 -26.324 9.206 5.011 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -25.586 10.077 4.505 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -27.131 9.443 5.934 1.00 0.00 O ATOM 0 H GLU A 74 -23.899 7.862 7.086 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.306 6.339 6.591 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.176 7.730 5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.749 6.261 4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -26.199 7.817 3.389 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -27.139 7.246 4.753 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.357 4.872 6.565 1.00 0.00 N ATOM 1237 CA LEU A 75 -22.704 3.564 6.561 1.00 0.00 C ATOM 1238 C LEU A 75 -22.367 3.075 7.969 1.00 0.00 C ATOM 1239 O LEU A 75 -22.547 1.897 8.279 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.430 3.618 5.717 1.00 0.00 C ATOM 1241 CG LEU A 75 -21.018 2.290 5.079 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -20.456 2.518 3.684 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -20.001 1.573 5.954 1.00 0.00 C ATOM 0 H LEU A 75 -22.726 5.660 6.708 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.410 2.855 6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.567 4.356 4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.612 3.971 6.344 1.00 0.00 H new ATOM 0 HG LEU A 75 -21.904 1.660 4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.169 1.562 3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.214 2.990 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -19.582 3.166 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.719 0.630 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -19.117 2.199 6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.438 1.375 6.933 1.00 0.00 H new ATOM 1255 N GLY A 76 -21.870 3.972 8.812 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.508 3.584 10.166 1.00 0.00 C ATOM 1257 C GLY A 76 -20.031 3.274 10.298 1.00 0.00 C ATOM 1258 O GLY A 76 -19.629 2.475 11.144 1.00 0.00 O ATOM 0 H GLY A 76 -21.711 4.954 8.587 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -21.772 4.387 10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.089 2.709 10.459 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.220 3.910 9.458 1.00 0.00 N ATOM 1263 CA ILE A 77 -17.777 3.701 9.480 1.00 0.00 C ATOM 1264 C ILE A 77 -17.087 4.737 10.361 1.00 0.00 C ATOM 1265 O ILE A 77 -17.217 5.940 10.140 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.178 3.761 8.059 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -15.699 3.368 8.087 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -17.356 5.149 7.460 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -15.407 2.072 7.364 1.00 0.00 C ATOM 0 H ILE A 77 -19.538 4.575 8.753 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.605 2.707 9.893 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.711 3.049 7.429 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -15.110 4.167 7.637 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -15.374 3.278 9.124 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -16.927 5.171 6.458 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -18.418 5.388 7.405 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -16.850 5.883 8.087 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -14.341 1.854 7.424 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -15.969 1.262 7.828 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -15.701 2.165 6.318 1.00 0.00 H new ATOM 1281 N THR A 78 -16.354 4.261 11.362 1.00 0.00 N ATOM 1282 CA THR A 78 -15.645 5.148 12.278 1.00 0.00 C ATOM 1283 C THR A 78 -14.415 5.756 11.604 1.00 0.00 C ATOM 1284 O THR A 78 -13.473 5.043 11.257 1.00 0.00 O ATOM 1285 CB THR A 78 -15.224 4.384 13.534 1.00 0.00 C ATOM 1286 OG1 THR A 78 -16.343 3.759 14.138 1.00 0.00 O ATOM 1287 CG2 THR A 78 -14.569 5.261 14.577 1.00 0.00 C ATOM 0 H THR A 78 -16.235 3.267 11.560 1.00 0.00 H new ATOM 0 HA THR A 78 -16.321 5.956 12.559 1.00 0.00 H new ATOM 0 HB THR A 78 -14.496 3.648 13.194 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.054 3.274 14.939 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.295 4.656 15.441 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.674 5.719 14.157 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.265 6.041 14.886 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.401 7.090 11.412 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.275 7.782 10.779 1.00 0.00 C ATOM 1297 C PRO A 79 -12.023 7.761 11.649 1.00 0.00 C ATOM 1298 O PRO A 79 -12.040 8.227 12.788 1.00 0.00 O ATOM 1299 CB PRO A 79 -13.782 9.216 10.607 1.00 0.00 C ATOM 1300 CG PRO A 79 -14.834 9.373 11.650 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.477 8.023 11.796 1.00 0.00 C ATOM 0 HA PRO A 79 -12.982 7.308 9.842 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.978 9.939 10.743 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -14.188 9.375 9.608 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.401 9.703 12.594 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.567 10.124 11.355 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.816 7.847 12.817 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.348 7.920 11.149 1.00 0.00 H new ATOM 1309 N VAL A 80 -10.938 7.219 11.105 1.00 0.00 N ATOM 1310 CA VAL A 80 -9.678 7.138 11.834 1.00 0.00 C ATOM 1311 C VAL A 80 -8.695 8.211 11.370 1.00 0.00 C ATOM 1312 O VAL A 80 -7.490 8.100 11.595 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.021 5.754 11.669 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -7.860 5.592 12.638 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.047 4.647 11.865 1.00 0.00 C ATOM 0 H VAL A 80 -10.906 6.830 10.163 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.915 7.300 12.885 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.629 5.679 10.655 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.410 4.608 12.505 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.113 6.362 12.443 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.224 5.690 13.661 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.564 3.677 11.745 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.473 4.718 12.866 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -10.841 4.751 11.125 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.215 9.251 10.724 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.379 10.339 10.234 1.00 0.00 C ATOM 1327 C VAL A 81 -9.146 11.658 10.226 1.00 0.00 C ATOM 1328 O VAL A 81 -10.359 11.681 10.019 1.00 0.00 O ATOM 1329 CB VAL A 81 -7.854 10.048 8.814 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -9.006 9.910 7.831 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -6.889 11.137 8.366 1.00 0.00 C ATOM 0 H VAL A 81 -10.210 9.362 10.529 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.531 10.421 10.914 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.314 9.102 8.837 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.612 9.705 6.835 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.653 9.090 8.141 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.580 10.837 7.810 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -6.529 10.914 7.362 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.402 12.099 8.362 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.044 11.179 9.053 1.00 0.00 H new ATOM 1341 N SER A 82 -8.431 12.756 10.451 1.00 0.00 N ATOM 1342 CA SER A 82 -9.045 14.078 10.466 1.00 0.00 C ATOM 1343 C SER A 82 -9.191 14.626 9.050 1.00 0.00 C ATOM 1344 O SER A 82 -8.513 14.178 8.128 1.00 0.00 O ATOM 1345 CB SER A 82 -8.211 15.041 11.312 1.00 0.00 C ATOM 1346 OG SER A 82 -7.947 14.497 12.594 1.00 0.00 O ATOM 0 H SER A 82 -7.426 12.756 10.625 1.00 0.00 H new ATOM 0 HA SER A 82 -10.038 13.984 10.905 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.271 15.255 10.804 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.740 15.988 11.417 1.00 0.00 H new ATOM 0 HG SER A 82 -7.411 15.131 13.114 1.00 0.00 H new ATOM 1352 N ALA A 83 -10.082 15.599 8.886 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.316 16.207 7.583 1.00 0.00 C ATOM 1354 C ALA A 83 -9.077 16.950 7.096 1.00 0.00 C ATOM 1355 O ALA A 83 -8.700 16.849 5.927 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.508 17.149 7.647 1.00 0.00 C ATOM 0 H ALA A 83 -10.653 15.982 9.639 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.535 15.411 6.871 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.671 17.596 6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.396 16.592 7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.312 17.935 8.376 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.448 17.696 7.997 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.252 18.458 7.658 1.00 0.00 C ATOM 1364 C GLN A 84 -6.109 17.531 7.253 1.00 0.00 C ATOM 1365 O GLN A 84 -5.294 17.873 6.398 1.00 0.00 O ATOM 1366 CB GLN A 84 -6.823 19.327 8.842 1.00 0.00 C ATOM 1367 CG GLN A 84 -6.198 20.650 8.429 1.00 0.00 C ATOM 1368 CD GLN A 84 -5.503 21.351 9.581 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -4.519 20.849 10.126 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -6.013 22.519 9.957 1.00 0.00 N ATOM 0 H GLN A 84 -8.746 17.789 8.968 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.491 19.101 6.811 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.691 19.525 9.470 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.109 18.771 9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.479 20.474 7.629 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.972 21.303 8.025 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.830 22.897 9.477 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -5.588 23.037 10.726 1.00 0.00 H new ATOM 1379 N ALA A 85 -6.055 16.358 7.876 1.00 0.00 N ATOM 1380 CA ALA A 85 -5.008 15.385 7.581 1.00 0.00 C ATOM 1381 C ALA A 85 -5.169 14.808 6.180 1.00 0.00 C ATOM 1382 O ALA A 85 -4.204 14.714 5.423 1.00 0.00 O ATOM 1383 CB ALA A 85 -5.019 14.272 8.617 1.00 0.00 C ATOM 0 H ALA A 85 -6.722 16.058 8.587 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.047 15.899 7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.234 13.552 8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.845 14.694 9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.987 13.770 8.602 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.395 14.423 5.838 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.676 13.853 4.525 1.00 0.00 C ATOM 1391 C VAL A 86 -6.578 14.913 3.431 1.00 0.00 C ATOM 1392 O VAL A 86 -6.036 14.657 2.356 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.073 13.200 4.479 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -9.157 14.222 4.787 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.316 12.543 3.128 1.00 0.00 C ATOM 0 H VAL A 86 -7.208 14.495 6.450 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.923 13.085 4.347 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.112 12.425 5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -10.134 13.739 4.749 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.995 14.635 5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.120 15.025 4.051 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.307 12.089 3.117 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.253 13.295 2.341 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.563 11.774 2.956 1.00 0.00 H new ATOM 1405 N VAL A 87 -7.099 16.103 3.713 1.00 0.00 N ATOM 1406 CA VAL A 87 -7.064 17.198 2.750 1.00 0.00 C ATOM 1407 C VAL A 87 -5.634 17.682 2.525 1.00 0.00 C ATOM 1408 O VAL A 87 -5.261 18.050 1.410 1.00 0.00 O ATOM 1409 CB VAL A 87 -7.931 18.386 3.214 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -7.918 19.502 2.180 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -9.357 17.930 3.496 1.00 0.00 C ATOM 0 H VAL A 87 -7.550 16.333 4.599 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.467 16.811 1.814 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.506 18.777 4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.536 20.329 2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.896 19.850 2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.313 19.128 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.954 18.782 3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.791 17.509 2.589 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.348 17.172 4.279 1.00 0.00 H new ATOM 1421 N ALA A 88 -4.840 17.679 3.590 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.450 18.118 3.508 1.00 0.00 C ATOM 1423 C ALA A 88 -2.516 16.959 3.163 1.00 0.00 C ATOM 1424 O ALA A 88 -1.356 17.174 2.809 1.00 0.00 O ATOM 1425 CB ALA A 88 -3.027 18.765 4.817 1.00 0.00 C ATOM 0 H ALA A 88 -5.134 17.378 4.519 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.377 18.853 2.706 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.989 19.088 4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.662 19.627 5.019 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.126 18.044 5.628 1.00 0.00 H new ATOM 1431 N GLY A 89 -3.024 15.733 3.265 1.00 0.00 N ATOM 1432 CA GLY A 89 -2.213 14.569 2.957 1.00 0.00 C ATOM 1433 C GLY A 89 -0.959 14.491 3.806 1.00 0.00 C ATOM 1434 O GLY A 89 0.053 13.936 3.380 1.00 0.00 O ATOM 0 H GLY A 89 -3.980 15.526 3.555 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.806 13.667 3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.933 14.594 1.904 1.00 0.00 H new ATOM 1438 N SER A 90 -1.026 15.050 5.011 1.00 0.00 N ATOM 1439 CA SER A 90 0.113 15.042 5.921 1.00 0.00 C ATOM 1440 C SER A 90 0.247 13.691 6.617 1.00 0.00 C ATOM 1441 O SER A 90 1.353 13.247 6.922 1.00 0.00 O ATOM 1442 CB SER A 90 -0.036 16.151 6.964 1.00 0.00 C ATOM 1443 OG SER A 90 1.215 16.474 7.548 1.00 0.00 O ATOM 0 H SER A 90 -1.857 15.514 5.379 1.00 0.00 H new ATOM 0 HA SER A 90 1.015 15.219 5.335 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.463 17.039 6.497 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.732 15.833 7.740 1.00 0.00 H new ATOM 0 HG SER A 90 1.093 17.186 8.210 1.00 0.00 H new ATOM 1449 N ASP A 91 -0.886 13.041 6.863 1.00 0.00 N ATOM 1450 CA ASP A 91 -0.893 11.741 7.522 1.00 0.00 C ATOM 1451 C ASP A 91 -1.235 10.629 6.531 1.00 0.00 C ATOM 1452 O ASP A 91 -2.363 10.138 6.501 1.00 0.00 O ATOM 1453 CB ASP A 91 -1.895 11.737 8.678 1.00 0.00 C ATOM 1454 CG ASP A 91 -1.257 12.129 9.996 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -0.770 11.227 10.712 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -1.245 13.336 10.314 1.00 0.00 O ATOM 0 H ASP A 91 -1.811 13.394 6.616 1.00 0.00 H new ATOM 0 HA ASP A 91 0.106 11.556 7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.709 12.426 8.452 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.334 10.744 8.771 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.257 10.215 5.706 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.460 9.154 4.713 1.00 0.00 C ATOM 1463 C PRO A 92 -0.821 7.821 5.359 1.00 0.00 C ATOM 1464 O PRO A 92 -1.709 7.111 4.888 1.00 0.00 O ATOM 1465 CB PRO A 92 0.895 9.056 4.000 1.00 0.00 C ATOM 1466 CG PRO A 92 1.873 9.675 4.941 1.00 0.00 C ATOM 1467 CD PRO A 92 1.116 10.742 5.677 1.00 0.00 C ATOM 0 HA PRO A 92 -1.288 9.381 4.042 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.155 8.019 3.787 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.878 9.583 3.046 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.274 8.933 5.632 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.720 10.099 4.401 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.510 10.896 6.681 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.169 11.702 5.163 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.127 7.488 6.443 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.376 6.242 7.157 1.00 0.00 C ATOM 1477 C LEU A 93 -1.823 6.168 7.630 1.00 0.00 C ATOM 1478 O LEU A 93 -2.461 5.118 7.549 1.00 0.00 O ATOM 1479 CB LEU A 93 0.572 6.114 8.351 1.00 0.00 C ATOM 1480 CG LEU A 93 2.058 6.073 7.996 1.00 0.00 C ATOM 1481 CD1 LEU A 93 2.902 5.909 9.251 1.00 0.00 C ATOM 1482 CD2 LEU A 93 2.339 4.948 7.011 1.00 0.00 C ATOM 0 H LEU A 93 0.612 8.064 6.846 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.194 5.416 6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.398 6.953 9.025 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.320 5.207 8.900 1.00 0.00 H new ATOM 0 HG LEU A 93 2.326 7.018 7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.957 5.882 8.979 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.722 6.748 9.923 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.632 4.979 9.752 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.402 4.933 6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.055 3.995 7.457 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.762 5.109 6.100 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.337 7.291 8.122 1.00 0.00 N ATOM 1495 CA GLY A 94 -3.705 7.334 8.598 1.00 0.00 C ATOM 1496 C GLY A 94 -4.711 7.133 7.482 1.00 0.00 C ATOM 1497 O GLY A 94 -5.738 6.482 7.673 1.00 0.00 O ATOM 0 H GLY A 94 -1.829 8.172 8.199 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.848 6.563 9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.889 8.294 9.081 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.413 7.692 6.314 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.298 7.568 5.162 1.00 0.00 C ATOM 1503 C LEU A 95 -5.484 6.105 4.773 1.00 0.00 C ATOM 1504 O LEU A 95 -6.595 5.669 4.475 1.00 0.00 O ATOM 1505 CB LEU A 95 -4.739 8.362 3.976 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.706 9.376 3.364 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -4.942 10.545 2.762 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -6.581 8.711 2.314 1.00 0.00 C ATOM 0 H LEU A 95 -3.567 8.234 6.140 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.271 7.976 5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.842 8.889 4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.433 7.660 3.200 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.351 9.759 4.155 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.646 11.257 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.359 11.038 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.273 10.180 1.983 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.263 9.448 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.953 8.300 1.524 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.156 7.908 2.775 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.388 5.351 4.784 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.435 3.936 4.435 1.00 0.00 C ATOM 1522 C ILE A 96 -5.257 3.150 5.449 1.00 0.00 C ATOM 1523 O ILE A 96 -6.035 2.269 5.085 1.00 0.00 O ATOM 1524 CB ILE A 96 -3.021 3.328 4.353 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -2.130 4.171 3.439 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -3.085 1.891 3.856 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -2.658 4.293 2.026 1.00 0.00 C ATOM 0 H ILE A 96 -3.460 5.696 5.030 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.907 3.867 3.455 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.588 3.326 5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.025 5.168 3.866 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.133 3.730 3.409 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.077 1.479 3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.686 1.295 4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.537 1.869 2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.976 4.904 1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.737 3.301 1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.642 4.762 2.044 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.081 3.477 6.726 1.00 0.00 N ATOM 1540 CA ALA A 97 -5.808 2.803 7.795 1.00 0.00 C ATOM 1541 C ALA A 97 -7.313 2.964 7.616 1.00 0.00 C ATOM 1542 O ALA A 97 -8.072 2.004 7.762 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.375 3.343 9.150 1.00 0.00 C ATOM 0 H ALA A 97 -4.441 4.205 7.045 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.573 1.740 7.749 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.926 2.831 9.939 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.307 3.174 9.285 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.582 4.412 9.199 1.00 0.00 H new ATOM 1549 N TYR A 98 -7.740 4.180 7.299 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.155 4.467 7.099 1.00 0.00 C ATOM 1551 C TYR A 98 -9.669 3.798 5.830 1.00 0.00 C ATOM 1552 O TYR A 98 -10.792 3.294 5.793 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.386 5.977 7.024 1.00 0.00 C ATOM 1554 CG TYR A 98 -10.847 6.367 6.967 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.793 5.705 7.739 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.280 7.396 6.140 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -13.128 6.056 7.690 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -12.612 7.754 6.086 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.532 7.082 6.862 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.862 7.436 6.810 1.00 0.00 O ATOM 0 H TYR A 98 -7.126 4.985 7.175 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.706 4.066 7.949 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.927 6.449 7.892 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -8.880 6.370 6.142 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.479 4.902 8.389 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.563 7.924 5.529 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -13.851 5.530 8.296 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.932 8.557 5.439 1.00 0.00 H new ATOM 0 HH TYR A 98 -15.318 6.897 6.130 1.00 0.00 H new ATOM 1570 N LEU A 99 -8.842 3.796 4.790 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.211 3.188 3.516 1.00 0.00 C ATOM 1572 C LEU A 99 -9.549 1.711 3.697 1.00 0.00 C ATOM 1573 O LEU A 99 -10.474 1.195 3.071 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.075 3.345 2.503 1.00 0.00 C ATOM 1575 CG LEU A 99 -8.514 3.750 1.095 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -9.547 2.773 0.557 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -9.066 5.168 1.096 1.00 0.00 C ATOM 0 H LEU A 99 -7.910 4.209 4.804 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.096 3.701 3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.375 4.092 2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.532 2.402 2.440 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.643 3.722 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -9.848 3.077 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -9.116 1.772 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -10.419 2.768 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.373 5.439 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.925 5.223 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.295 5.858 1.438 1.00 0.00 H new ATOM 1589 N SER A 100 -8.794 1.038 4.558 1.00 0.00 N ATOM 1590 CA SER A 100 -9.012 -0.380 4.824 1.00 0.00 C ATOM 1591 C SER A 100 -10.412 -0.617 5.381 1.00 0.00 C ATOM 1592 O SER A 100 -11.089 -1.571 5.000 1.00 0.00 O ATOM 1593 CB SER A 100 -7.963 -0.905 5.804 1.00 0.00 C ATOM 1594 OG SER A 100 -7.909 -2.321 5.784 1.00 0.00 O ATOM 0 H SER A 100 -8.025 1.452 5.085 1.00 0.00 H new ATOM 0 HA SER A 100 -8.918 -0.921 3.882 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.985 -0.497 5.548 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.198 -0.561 6.811 1.00 0.00 H new ATOM 0 HG SER A 100 -7.229 -2.631 6.418 1.00 0.00 H new ATOM 1600 N HIS A 101 -10.837 0.258 6.287 1.00 0.00 N ATOM 1601 CA HIS A 101 -12.157 0.145 6.898 1.00 0.00 C ATOM 1602 C HIS A 101 -13.256 0.334 5.857 1.00 0.00 C ATOM 1603 O HIS A 101 -14.254 -0.385 5.855 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.311 1.174 8.019 1.00 0.00 C ATOM 1605 CG HIS A 101 -12.922 0.615 9.268 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -12.732 -0.688 9.682 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -13.722 1.190 10.198 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -13.390 -0.889 10.810 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -13.998 0.235 11.144 1.00 0.00 N ATOM 0 H HIS A 101 -10.287 1.052 6.614 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.253 -0.856 7.320 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.331 1.588 8.258 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.927 1.999 7.661 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -14.077 2.210 10.195 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -13.425 -1.815 11.365 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -14.579 0.371 11.971 1.00 0.00 H new ATOM 1618 N PHE A 102 -13.063 1.306 4.971 1.00 0.00 N ATOM 1619 CA PHE A 102 -14.036 1.588 3.922 1.00 0.00 C ATOM 1620 C PHE A 102 -14.089 0.448 2.911 1.00 0.00 C ATOM 1621 O PHE A 102 -15.166 0.028 2.487 1.00 0.00 O ATOM 1622 CB PHE A 102 -13.686 2.900 3.213 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.657 4.012 3.494 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -16.017 3.829 3.293 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -14.210 5.239 3.958 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -16.911 4.851 3.551 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -15.101 6.263 4.217 1.00 0.00 C ATOM 1628 CZ PHE A 102 -16.453 6.069 4.012 1.00 0.00 C ATOM 0 H PHE A 102 -12.242 1.911 4.959 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.018 1.684 4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.688 3.214 3.519 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -13.649 2.724 2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -16.381 2.879 2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -13.154 5.397 4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -17.968 4.697 3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -14.740 7.214 4.579 1.00 0.00 H new ATOM 0 HZ PHE A 102 -17.151 6.869 4.212 1.00 0.00 H new ATOM 1638 N HIS A 103 -12.918 -0.052 2.529 1.00 0.00 N ATOM 1639 CA HIS A 103 -12.829 -1.145 1.568 1.00 0.00 C ATOM 1640 C HIS A 103 -13.494 -2.405 2.113 1.00 0.00 C ATOM 1641 O HIS A 103 -14.219 -3.094 1.397 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.365 -1.434 1.228 1.00 0.00 C ATOM 1643 CG HIS A 103 -11.191 -2.305 0.023 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -10.049 -3.041 -0.216 1.00 0.00 N ATOM 1645 CD2 HIS A 103 -12.023 -2.559 -1.016 1.00 0.00 C ATOM 1646 CE1 HIS A 103 -10.186 -3.707 -1.349 1.00 0.00 C ATOM 1647 NE2 HIS A 103 -11.374 -3.432 -1.853 1.00 0.00 N ATOM 0 H HIS A 103 -12.017 0.283 2.871 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.353 -0.842 0.662 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.846 -0.490 1.062 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.889 -1.913 2.084 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -9.227 -3.067 0.388 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -13.013 -2.151 -1.159 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.450 -4.365 -1.788 1.00 0.00 H new ATOM 1656 N SER A 104 -13.242 -2.699 3.385 1.00 0.00 N ATOM 1657 CA SER A 104 -13.817 -3.877 4.026 1.00 0.00 C ATOM 1658 C SER A 104 -15.341 -3.836 3.975 1.00 0.00 C ATOM 1659 O SER A 104 -15.996 -4.873 3.877 1.00 0.00 O ATOM 1660 CB SER A 104 -13.345 -3.972 5.478 1.00 0.00 C ATOM 1661 OG SER A 104 -11.982 -4.353 5.549 1.00 0.00 O ATOM 0 H SER A 104 -12.644 -2.138 3.992 1.00 0.00 H new ATOM 0 HA SER A 104 -13.478 -4.759 3.482 1.00 0.00 H new ATOM 0 HB2 SER A 104 -13.483 -3.010 5.972 1.00 0.00 H new ATOM 0 HB3 SER A 104 -13.957 -4.697 6.015 1.00 0.00 H new ATOM 0 HG SER A 104 -11.415 -3.570 5.392 1.00 0.00 H new ATOM 1667 N ALA A 105 -15.898 -2.632 4.043 1.00 0.00 N ATOM 1668 CA ALA A 105 -17.346 -2.457 4.003 1.00 0.00 C ATOM 1669 C ALA A 105 -17.866 -2.498 2.571 1.00 0.00 C ATOM 1670 O ALA A 105 -18.877 -3.139 2.285 1.00 0.00 O ATOM 1671 CB ALA A 105 -17.735 -1.148 4.672 1.00 0.00 C ATOM 0 H ALA A 105 -15.370 -1.763 4.126 1.00 0.00 H new ATOM 0 HA ALA A 105 -17.803 -3.282 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -18.818 -1.029 4.636 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -17.406 -1.158 5.711 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.261 -0.317 4.149 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.169 -1.808 1.674 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.559 -1.763 0.270 1.00 0.00 C ATOM 1679 C PHE A 106 -17.406 -3.132 -0.385 1.00 0.00 C ATOM 1680 O PHE A 106 -18.171 -3.493 -1.277 1.00 0.00 O ATOM 1681 CB PHE A 106 -16.717 -0.729 -0.477 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.207 0.681 -0.313 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -17.665 1.137 0.914 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -17.212 1.553 -1.389 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -18.115 2.433 1.064 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.662 2.851 -1.246 1.00 0.00 C ATOM 1687 CZ PHE A 106 -18.114 3.292 -0.018 1.00 0.00 C ATOM 0 H PHE A 106 -16.330 -1.272 1.895 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.609 -1.475 0.219 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.687 -0.790 -0.125 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -16.707 -0.980 -1.538 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -17.670 0.469 1.763 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -16.860 1.214 -2.352 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -18.467 2.775 2.026 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -17.660 3.520 -2.094 1.00 0.00 H new ATOM 0 HZ PHE A 106 -18.466 4.307 0.096 1.00 0.00 H new ATOM 1697 N LYS A 107 -16.410 -3.888 0.065 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.155 -5.217 -0.480 1.00 0.00 C ATOM 1699 C LYS A 107 -17.200 -6.216 0.007 1.00 0.00 C ATOM 1700 O LYS A 107 -17.541 -7.166 -0.698 1.00 0.00 O ATOM 1701 CB LYS A 107 -14.756 -5.692 -0.086 1.00 0.00 C ATOM 1702 CG LYS A 107 -14.145 -6.671 -1.075 1.00 0.00 C ATOM 1703 CD LYS A 107 -13.573 -5.954 -2.288 1.00 0.00 C ATOM 1704 CE LYS A 107 -13.077 -6.939 -3.334 1.00 0.00 C ATOM 1705 NZ LYS A 107 -13.295 -6.435 -4.719 1.00 0.00 N ATOM 0 H LYS A 107 -15.767 -3.604 0.804 1.00 0.00 H new ATOM 0 HA LYS A 107 -16.218 -5.155 -1.566 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.100 -4.826 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -14.804 -6.163 0.896 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -13.357 -7.242 -0.584 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -14.903 -7.385 -1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -14.337 -5.311 -2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.752 -5.308 -1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -12.015 -7.128 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -13.592 -7.891 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.943 -7.135 -5.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -14.311 -6.278 -4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.783 -5.539 -4.847 1.00 0.00 H new