USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=19 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 Set 1.1: A 13 CYS SG : rot 156:sc= 0.525 USER MOD Set 1.2: A 17 THR OG1 : rot 100:sc= 1.3 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.641 K(o=-0.64,f=-0.059) USER MOD Single : A 20 TYR OH : rot 15:sc= -1.46 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 26 SER OG : rot 25:sc= 0.0859 USER MOD Single : A 29 SER OG : rot 180:sc= -1.01 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -65:sc= 0.0514 USER MOD Single : A 39 CYS SG : rot 160:sc= -1.45 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.329 K(o=-0.33,f=-1.2) 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) USER MOD Single : A 64 THR OG1 : rot 84:sc= 1.05 USER MOD Single : A 69 LYS NZ :NH3+ -167:sc=-0.00507 (180deg=-0.279) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,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= 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 43:sc=0.000983 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= -0.0158 X(o=-0.016,f=-0.29) USER MOD Single : A 103 HIS : no HD1:sc= -2.35 K(o=-2.3,f=-1.7) 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 0.444 -0.578 -3.482 1.00 0.00 N ATOM 202 CA GLN A 6 -0.043 0.795 -3.512 1.00 0.00 C ATOM 203 C GLN A 6 -0.696 1.116 -4.854 1.00 0.00 C ATOM 204 O GLN A 6 -1.639 1.903 -4.924 1.00 0.00 O ATOM 205 CB GLN A 6 1.103 1.771 -3.244 1.00 0.00 C ATOM 206 CG GLN A 6 0.689 2.993 -2.441 1.00 0.00 C ATOM 207 CD GLN A 6 1.738 3.409 -1.429 1.00 0.00 C ATOM 208 OE1 GLN A 6 2.404 4.432 -1.594 1.00 0.00 O ATOM 209 NE2 GLN A 6 1.889 2.618 -0.374 1.00 0.00 N ATOM 0 HA GLN A 6 -0.794 0.902 -2.730 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.897 1.248 -2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.521 2.097 -4.196 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.497 3.822 -3.122 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.247 2.783 -1.923 1.00 0.00 H new ATOM 0 HE21 GLN A 6 1.315 1.780 -0.278 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.579 2.848 0.341 1.00 0.00 H new ATOM 218 N GLU A 7 -0.182 0.507 -5.917 1.00 0.00 N ATOM 219 CA GLU A 7 -0.709 0.735 -7.259 1.00 0.00 C ATOM 220 C GLU A 7 -2.113 0.153 -7.415 1.00 0.00 C ATOM 221 O GLU A 7 -3.011 0.815 -7.934 1.00 0.00 O ATOM 222 CB GLU A 7 0.227 0.123 -8.305 1.00 0.00 C ATOM 223 CG GLU A 7 1.181 1.128 -8.928 1.00 0.00 C ATOM 224 CD GLU A 7 2.490 0.499 -9.363 1.00 0.00 C ATOM 225 OE1 GLU A 7 2.457 -0.412 -10.216 1.00 0.00 O ATOM 226 OE2 GLU A 7 3.549 0.917 -8.846 1.00 0.00 O ATOM 0 H GLU A 7 0.599 -0.148 -5.876 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.770 1.812 -7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.806 -0.675 -7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.371 -0.334 -9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.701 1.592 -9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.385 1.923 -8.210 1.00 0.00 H new ATOM 233 N GLU A 8 -2.296 -1.086 -6.967 1.00 0.00 N ATOM 234 CA GLU A 8 -3.594 -1.746 -7.067 1.00 0.00 C ATOM 235 C GLU A 8 -4.636 -1.043 -6.201 1.00 0.00 C ATOM 236 O GLU A 8 -5.821 -1.021 -6.533 1.00 0.00 O ATOM 237 CB GLU A 8 -3.478 -3.224 -6.676 1.00 0.00 C ATOM 238 CG GLU A 8 -3.356 -3.464 -5.178 1.00 0.00 C ATOM 239 CD GLU A 8 -4.566 -4.172 -4.599 1.00 0.00 C ATOM 240 OE1 GLU A 8 -5.641 -4.124 -5.231 1.00 0.00 O ATOM 241 OE2 GLU A 8 -4.436 -4.774 -3.512 1.00 0.00 O ATOM 0 H GLU A 8 -1.566 -1.651 -6.533 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.923 -1.686 -8.105 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.353 -3.757 -7.048 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.608 -3.653 -7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.464 -4.058 -4.981 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.222 -2.509 -4.671 1.00 0.00 H new ATOM 248 N LEU A 9 -4.187 -0.470 -5.089 1.00 0.00 N ATOM 249 CA LEU A 9 -5.081 0.235 -4.176 1.00 0.00 C ATOM 250 C LEU A 9 -5.635 1.498 -4.826 1.00 0.00 C ATOM 251 O LEU A 9 -6.835 1.767 -4.759 1.00 0.00 O ATOM 252 CB LEU A 9 -4.345 0.590 -2.883 1.00 0.00 C ATOM 253 CG LEU A 9 -4.011 -0.598 -1.982 1.00 0.00 C ATOM 254 CD1 LEU A 9 -2.998 -0.195 -0.920 1.00 0.00 C ATOM 255 CD2 LEU A 9 -5.273 -1.149 -1.335 1.00 0.00 C ATOM 0 H LEU A 9 -3.209 -0.480 -4.798 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.916 -0.425 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.419 1.104 -3.140 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.954 1.295 -2.318 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.570 -1.382 -2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.772 -1.054 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.084 0.151 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.412 0.607 -0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.015 -1.994 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.743 -0.371 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.966 -1.477 -2.110 1.00 0.00 H new ATOM 267 N LEU A 10 -4.754 2.270 -5.455 1.00 0.00 N ATOM 268 CA LEU A 10 -5.155 3.504 -6.119 1.00 0.00 C ATOM 269 C LEU A 10 -6.115 3.214 -7.269 1.00 0.00 C ATOM 270 O LEU A 10 -7.028 3.993 -7.541 1.00 0.00 O ATOM 271 CB LEU A 10 -3.924 4.253 -6.637 1.00 0.00 C ATOM 272 CG LEU A 10 -3.854 5.730 -6.246 1.00 0.00 C ATOM 273 CD1 LEU A 10 -2.520 6.329 -6.664 1.00 0.00 C ATOM 274 CD2 LEU A 10 -5.006 6.501 -6.871 1.00 0.00 C ATOM 0 H LEU A 10 -3.757 2.062 -5.518 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.670 4.131 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.030 3.752 -6.266 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.903 4.179 -7.724 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.939 5.805 -5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.488 7.380 -6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.710 5.793 -6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.405 6.243 -7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.941 7.550 -6.582 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.952 6.419 -7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.952 6.087 -6.523 1.00 0.00 H new ATOM 286 N ARG A 11 -5.901 2.087 -7.939 1.00 0.00 N ATOM 287 CA ARG A 11 -6.747 1.692 -9.060 1.00 0.00 C ATOM 288 C ARG A 11 -8.165 1.390 -8.589 1.00 0.00 C ATOM 289 O ARG A 11 -9.137 1.715 -9.272 1.00 0.00 O ATOM 290 CB ARG A 11 -6.158 0.467 -9.762 1.00 0.00 C ATOM 291 CG ARG A 11 -4.846 0.748 -10.479 1.00 0.00 C ATOM 292 CD ARG A 11 -4.803 0.083 -11.846 1.00 0.00 C ATOM 293 NE ARG A 11 -3.443 -0.289 -12.230 1.00 0.00 N ATOM 294 CZ ARG A 11 -3.071 -0.544 -13.482 1.00 0.00 C ATOM 295 NH1 ARG A 11 -3.951 -0.472 -14.473 1.00 0.00 N ATOM 296 NH2 ARG A 11 -1.813 -0.875 -13.744 1.00 0.00 N ATOM 0 H ARG A 11 -5.150 1.431 -7.726 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.787 2.522 -9.765 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.999 -0.321 -9.026 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.883 0.088 -10.483 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.716 1.824 -10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.015 0.389 -9.872 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.433 -0.806 -11.837 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.218 0.760 -12.592 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.738 -0.357 -11.496 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.920 -0.220 -14.277 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.658 -0.669 -15.430 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.133 -0.934 -12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.526 -1.071 -14.703 1.00 0.00 H new ATOM 310 N TRP A 12 -8.278 0.767 -7.421 1.00 0.00 N ATOM 311 CA TRP A 12 -9.579 0.422 -6.861 1.00 0.00 C ATOM 312 C TRP A 12 -10.351 1.676 -6.467 1.00 0.00 C ATOM 313 O TRP A 12 -11.565 1.757 -6.659 1.00 0.00 O ATOM 314 CB TRP A 12 -9.407 -0.488 -5.644 1.00 0.00 C ATOM 315 CG TRP A 12 -10.705 -0.954 -5.062 1.00 0.00 C ATOM 316 CD1 TRP A 12 -11.542 -1.902 -5.577 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.318 -0.493 -3.851 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.637 -2.059 -4.762 1.00 0.00 N ATOM 319 CE2 TRP A 12 -12.523 -1.205 -3.697 1.00 0.00 C ATOM 320 CE3 TRP A 12 -10.966 0.451 -2.884 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -13.375 -1.001 -2.614 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -11.811 0.653 -1.810 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.003 -0.071 -1.683 1.00 0.00 C ATOM 0 H TRP A 12 -7.484 0.491 -6.844 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.148 -0.108 -7.625 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.813 -1.356 -5.930 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -8.844 0.045 -4.878 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -11.369 -2.449 -6.492 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.409 -2.706 -4.924 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.049 1.014 -2.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.295 -1.557 -2.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -11.548 1.381 -1.056 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -13.642 0.109 -0.831 1.00 0.00 H new ATOM 334 N CYS A 13 -9.641 2.654 -5.915 1.00 0.00 N ATOM 335 CA CYS A 13 -10.260 3.906 -5.493 1.00 0.00 C ATOM 336 C CYS A 13 -10.710 4.724 -6.701 1.00 0.00 C ATOM 337 O CYS A 13 -11.821 5.254 -6.723 1.00 0.00 O ATOM 338 CB CYS A 13 -9.285 4.722 -4.644 1.00 0.00 C ATOM 339 SG CYS A 13 -9.990 6.242 -3.964 1.00 0.00 S ATOM 0 H CYS A 13 -8.636 2.604 -5.749 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.137 3.664 -4.893 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -8.928 4.101 -3.823 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.417 4.977 -5.252 1.00 0.00 H new ATOM 0 HG CYS A 13 -9.334 6.584 -2.895 1.00 0.00 H new ATOM 345 N GLN A 14 -9.839 4.824 -7.700 1.00 0.00 N ATOM 346 CA GLN A 14 -10.147 5.580 -8.908 1.00 0.00 C ATOM 347 C GLN A 14 -11.363 4.997 -9.621 1.00 0.00 C ATOM 348 O GLN A 14 -12.199 5.735 -10.144 1.00 0.00 O ATOM 349 CB GLN A 14 -8.942 5.585 -9.851 1.00 0.00 C ATOM 350 CG GLN A 14 -9.122 6.483 -11.064 1.00 0.00 C ATOM 351 CD GLN A 14 -8.447 5.930 -12.304 1.00 0.00 C ATOM 352 OE1 GLN A 14 -7.220 5.907 -12.398 1.00 0.00 O ATOM 353 NE2 GLN A 14 -9.249 5.481 -13.263 1.00 0.00 N ATOM 0 H GLN A 14 -8.915 4.391 -7.697 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.377 6.605 -8.617 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.060 5.908 -9.298 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.751 4.566 -10.189 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.186 6.612 -11.261 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -8.716 7.470 -10.844 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.261 5.520 -13.141 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.853 5.097 -14.121 1.00 0.00 H new ATOM 362 N GLU A 15 -11.458 3.672 -9.635 1.00 0.00 N ATOM 363 CA GLU A 15 -12.576 2.995 -10.281 1.00 0.00 C ATOM 364 C GLU A 15 -13.881 3.286 -9.549 1.00 0.00 C ATOM 365 O GLU A 15 -14.900 3.589 -10.169 1.00 0.00 O ATOM 366 CB GLU A 15 -12.328 1.486 -10.326 1.00 0.00 C ATOM 367 CG GLU A 15 -13.192 0.759 -11.343 1.00 0.00 C ATOM 368 CD GLU A 15 -12.751 -0.675 -11.563 1.00 0.00 C ATOM 369 OE1 GLU A 15 -11.561 -0.973 -11.328 1.00 0.00 O ATOM 370 OE2 GLU A 15 -13.596 -1.499 -11.973 1.00 0.00 O ATOM 0 H GLU A 15 -10.775 3.046 -9.207 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.659 3.372 -11.300 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.278 1.305 -10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.513 1.066 -9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.229 0.769 -11.007 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.159 1.295 -12.292 1.00 0.00 H new ATOM 377 N GLN A 16 -13.840 3.193 -8.224 1.00 0.00 N ATOM 378 CA GLN A 16 -15.018 3.445 -7.401 1.00 0.00 C ATOM 379 C GLN A 16 -15.411 4.918 -7.445 1.00 0.00 C ATOM 380 O GLN A 16 -16.581 5.263 -7.279 1.00 0.00 O ATOM 381 CB GLN A 16 -14.756 3.018 -5.954 1.00 0.00 C ATOM 382 CG GLN A 16 -14.335 1.565 -5.816 1.00 0.00 C ATOM 383 CD GLN A 16 -15.517 0.625 -5.697 1.00 0.00 C ATOM 384 OE1 GLN A 16 -15.645 -0.330 -6.463 1.00 0.00 O ATOM 385 NE2 GLN A 16 -16.389 0.891 -4.732 1.00 0.00 N ATOM 0 H GLN A 16 -13.003 2.945 -7.696 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.843 2.857 -7.804 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.979 3.655 -5.531 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.659 3.184 -5.366 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.735 1.281 -6.680 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -13.699 1.457 -4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.243 1.694 -4.120 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.205 0.293 -4.603 1.00 0.00 H new ATOM 394 N THR A 17 -14.428 5.785 -7.668 1.00 0.00 N ATOM 395 CA THR A 17 -14.675 7.220 -7.733 1.00 0.00 C ATOM 396 C THR A 17 -14.968 7.674 -9.163 1.00 0.00 C ATOM 397 O THR A 17 -15.138 8.866 -9.418 1.00 0.00 O ATOM 398 CB THR A 17 -13.471 7.985 -7.181 1.00 0.00 C ATOM 399 OG1 THR A 17 -13.025 7.411 -5.967 1.00 0.00 O ATOM 400 CG2 THR A 17 -13.760 9.448 -6.918 1.00 0.00 C ATOM 0 H THR A 17 -13.453 5.518 -7.807 1.00 0.00 H new ATOM 0 HA THR A 17 -15.553 7.435 -7.124 1.00 0.00 H new ATOM 0 HB THR A 17 -12.706 7.915 -7.955 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.250 6.837 -6.142 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.864 9.931 -6.528 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.058 9.933 -7.848 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.566 9.534 -6.189 1.00 0.00 H new ATOM 408 N ALA A 18 -15.029 6.723 -10.093 1.00 0.00 N ATOM 409 CA ALA A 18 -15.302 7.040 -11.490 1.00 0.00 C ATOM 410 C ALA A 18 -16.801 7.152 -11.744 1.00 0.00 C ATOM 411 O ALA A 18 -17.582 6.311 -11.300 1.00 0.00 O ATOM 412 CB ALA A 18 -14.689 5.985 -12.398 1.00 0.00 C ATOM 0 H ALA A 18 -14.893 5.730 -9.904 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.849 8.006 -11.714 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.900 6.233 -13.438 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.610 5.954 -12.244 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.117 5.010 -12.164 1.00 0.00 H new ATOM 418 N GLY A 19 -17.196 8.199 -12.464 1.00 0.00 N ATOM 419 CA GLY A 19 -18.600 8.401 -12.766 1.00 0.00 C ATOM 420 C GLY A 19 -19.027 9.851 -12.624 1.00 0.00 C ATOM 421 O GLY A 19 -20.003 10.277 -13.240 1.00 0.00 O ATOM 0 H GLY A 19 -16.569 8.909 -12.842 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -18.801 8.065 -13.783 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -19.203 7.782 -12.102 1.00 0.00 H new ATOM 425 N TYR A 20 -18.297 10.606 -11.810 1.00 0.00 N ATOM 426 CA TYR A 20 -18.611 12.014 -11.591 1.00 0.00 C ATOM 427 C TYR A 20 -17.959 12.892 -12.658 1.00 0.00 C ATOM 428 O TYR A 20 -16.827 12.637 -13.075 1.00 0.00 O ATOM 429 CB TYR A 20 -18.148 12.448 -10.199 1.00 0.00 C ATOM 430 CG TYR A 20 -18.578 11.509 -9.096 1.00 0.00 C ATOM 431 CD1 TYR A 20 -17.879 10.335 -8.845 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.685 11.792 -8.306 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.270 9.471 -7.840 1.00 0.00 C ATOM 434 CE2 TYR A 20 -20.082 10.935 -7.298 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.371 9.776 -7.069 1.00 0.00 C ATOM 436 OH TYR A 20 -19.763 8.919 -6.067 1.00 0.00 O ATOM 0 H TYR A 20 -17.486 10.268 -11.292 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.692 12.136 -11.661 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -17.061 12.525 -10.195 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.539 13.444 -9.990 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.015 10.093 -9.446 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -20.245 12.698 -8.483 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.716 8.562 -7.660 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -20.945 11.171 -6.693 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.040 8.285 -5.878 1.00 0.00 H new ATOM 446 N PRO A 21 -18.664 13.941 -13.117 1.00 0.00 N ATOM 447 CA PRO A 21 -18.145 14.855 -14.142 1.00 0.00 C ATOM 448 C PRO A 21 -16.997 15.716 -13.624 1.00 0.00 C ATOM 449 O PRO A 21 -17.100 16.941 -13.566 1.00 0.00 O ATOM 450 CB PRO A 21 -19.354 15.727 -14.490 1.00 0.00 C ATOM 451 CG PRO A 21 -20.211 15.687 -13.272 1.00 0.00 C ATOM 452 CD PRO A 21 -20.020 14.322 -12.676 1.00 0.00 C ATOM 0 HA PRO A 21 -17.733 14.316 -14.996 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -19.052 16.747 -14.728 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -19.884 15.340 -15.360 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -19.922 16.465 -12.566 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -21.257 15.859 -13.525 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -20.097 14.344 -11.589 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -20.771 13.619 -13.035 1.00 0.00 H new ATOM 460 N GLY A 22 -15.903 15.065 -13.246 1.00 0.00 N ATOM 461 CA GLY A 22 -14.750 15.780 -12.737 1.00 0.00 C ATOM 462 C GLY A 22 -13.966 14.959 -11.736 1.00 0.00 C ATOM 463 O GLY A 22 -13.500 15.479 -10.721 1.00 0.00 O ATOM 0 H GLY A 22 -15.795 14.051 -13.284 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.100 16.056 -13.567 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.078 16.707 -12.267 1.00 0.00 H new ATOM 467 N VAL A 23 -13.823 13.668 -12.020 1.00 0.00 N ATOM 468 CA VAL A 23 -13.093 12.770 -11.137 1.00 0.00 C ATOM 469 C VAL A 23 -11.630 12.659 -11.548 1.00 0.00 C ATOM 470 O VAL A 23 -11.315 12.252 -12.667 1.00 0.00 O ATOM 471 CB VAL A 23 -13.723 11.362 -11.119 1.00 0.00 C ATOM 472 CG1 VAL A 23 -13.636 10.713 -12.492 1.00 0.00 C ATOM 473 CG2 VAL A 23 -13.052 10.492 -10.067 1.00 0.00 C ATOM 0 H VAL A 23 -14.204 13.222 -12.855 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.151 13.197 -10.136 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.777 11.462 -10.860 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.086 9.721 -12.455 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.169 11.326 -13.219 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.590 10.626 -12.788 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -13.509 9.502 -10.068 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -11.990 10.402 -10.293 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.176 10.948 -9.085 1.00 0.00 H new ATOM 483 N HIS A 24 -10.743 13.018 -10.632 1.00 0.00 N ATOM 484 CA HIS A 24 -9.309 12.957 -10.886 1.00 0.00 C ATOM 485 C HIS A 24 -8.593 12.265 -9.728 1.00 0.00 C ATOM 486 O HIS A 24 -7.935 12.913 -8.913 1.00 0.00 O ATOM 487 CB HIS A 24 -8.747 14.367 -11.094 1.00 0.00 C ATOM 488 CG HIS A 24 -8.048 14.542 -12.407 1.00 0.00 C ATOM 489 ND1 HIS A 24 -8.680 14.392 -13.624 1.00 0.00 N ATOM 490 CD2 HIS A 24 -6.762 14.858 -12.691 1.00 0.00 C ATOM 491 CE1 HIS A 24 -7.813 14.608 -14.597 1.00 0.00 C ATOM 492 NE2 HIS A 24 -6.643 14.893 -14.058 1.00 0.00 N ATOM 0 H HIS A 24 -10.991 13.356 -9.702 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.140 12.377 -11.793 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.561 15.088 -11.026 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.051 14.595 -10.287 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -5.976 15.047 -11.975 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.026 14.560 -15.655 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -5.789 15.105 -14.573 1.00 0.00 H new ATOM 501 N VAL A 25 -8.734 10.946 -9.658 1.00 0.00 N ATOM 502 CA VAL A 25 -8.109 10.166 -8.596 1.00 0.00 C ATOM 503 C VAL A 25 -6.815 9.513 -9.067 1.00 0.00 C ATOM 504 O VAL A 25 -6.822 8.389 -9.570 1.00 0.00 O ATOM 505 CB VAL A 25 -9.058 9.072 -8.073 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.476 8.405 -6.836 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.433 9.651 -7.777 1.00 0.00 C ATOM 0 H VAL A 25 -9.275 10.395 -10.324 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.883 10.864 -7.790 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.168 8.314 -8.849 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.161 7.635 -6.481 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.517 7.951 -7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.332 9.151 -6.054 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.088 8.862 -7.409 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.344 10.431 -7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.853 10.075 -8.689 1.00 0.00 H new ATOM 517 N SER A 26 -5.703 10.219 -8.893 1.00 0.00 N ATOM 518 CA SER A 26 -4.397 9.702 -9.288 1.00 0.00 C ATOM 519 C SER A 26 -3.303 10.205 -8.348 1.00 0.00 C ATOM 520 O SER A 26 -2.125 10.216 -8.701 1.00 0.00 O ATOM 521 CB SER A 26 -4.077 10.109 -10.729 1.00 0.00 C ATOM 522 OG SER A 26 -4.611 9.176 -11.653 1.00 0.00 O ATOM 0 H SER A 26 -5.680 11.152 -8.481 1.00 0.00 H new ATOM 0 HA SER A 26 -4.431 8.614 -9.225 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.486 11.099 -10.930 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.997 10.178 -10.860 1.00 0.00 H new ATOM 0 HG SER A 26 -5.375 8.715 -11.248 1.00 0.00 H new ATOM 528 N ASP A 27 -3.705 10.618 -7.149 1.00 0.00 N ATOM 529 CA ASP A 27 -2.764 11.117 -6.153 1.00 0.00 C ATOM 530 C ASP A 27 -3.107 10.583 -4.766 1.00 0.00 C ATOM 531 O ASP A 27 -4.275 10.342 -4.454 1.00 0.00 O ATOM 532 CB ASP A 27 -2.765 12.646 -6.140 1.00 0.00 C ATOM 533 CG ASP A 27 -2.544 13.238 -7.518 1.00 0.00 C ATOM 534 OD1 ASP A 27 -1.707 12.697 -8.270 1.00 0.00 O ATOM 535 OD2 ASP A 27 -3.207 14.245 -7.845 1.00 0.00 O ATOM 0 H ASP A 27 -4.678 10.616 -6.844 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.768 10.765 -6.422 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.716 13.002 -5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.985 13.001 -5.466 1.00 0.00 H new ATOM 540 N LEU A 28 -2.088 10.392 -3.937 1.00 0.00 N ATOM 541 CA LEU A 28 -2.289 9.881 -2.586 1.00 0.00 C ATOM 542 C LEU A 28 -2.211 11.005 -1.556 1.00 0.00 C ATOM 543 O LEU A 28 -1.644 10.832 -0.479 1.00 0.00 O ATOM 544 CB LEU A 28 -1.248 8.808 -2.266 1.00 0.00 C ATOM 545 CG LEU A 28 -1.285 7.577 -3.173 1.00 0.00 C ATOM 546 CD1 LEU A 28 -0.353 7.760 -4.360 1.00 0.00 C ATOM 547 CD2 LEU A 28 -0.913 6.326 -2.390 1.00 0.00 C ATOM 0 H LEU A 28 -1.115 10.583 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.285 9.440 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.256 9.256 -2.328 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.388 8.484 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.301 7.458 -3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.393 6.874 -4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.664 8.632 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.667 7.905 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.945 5.460 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.093 6.436 -1.984 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.620 6.184 -1.573 1.00 0.00 H new ATOM 559 N SER A 29 -2.786 12.157 -1.893 1.00 0.00 N ATOM 560 CA SER A 29 -2.778 13.302 -0.989 1.00 0.00 C ATOM 561 C SER A 29 -3.623 14.450 -1.537 1.00 0.00 C ATOM 562 O SER A 29 -4.769 14.638 -1.128 1.00 0.00 O ATOM 563 CB SER A 29 -1.343 13.776 -0.749 1.00 0.00 C ATOM 564 OG SER A 29 -1.322 15.021 -0.073 1.00 0.00 O ATOM 0 H SER A 29 -3.261 12.321 -2.781 1.00 0.00 H new ATOM 0 HA SER A 29 -3.215 12.983 -0.042 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.804 13.032 -0.163 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.823 13.868 -1.703 1.00 0.00 H new ATOM 0 HG SER A 29 -0.393 15.300 0.069 1.00 0.00 H new ATOM 570 N SER A 30 -3.052 15.218 -2.461 1.00 0.00 N ATOM 571 CA SER A 30 -3.751 16.350 -3.061 1.00 0.00 C ATOM 572 C SER A 30 -5.071 15.918 -3.697 1.00 0.00 C ATOM 573 O SER A 30 -5.974 16.733 -3.890 1.00 0.00 O ATOM 574 CB SER A 30 -2.865 17.023 -4.111 1.00 0.00 C ATOM 575 OG SER A 30 -2.096 18.067 -3.538 1.00 0.00 O ATOM 0 H SER A 30 -2.105 15.076 -2.811 1.00 0.00 H new ATOM 0 HA SER A 30 -3.974 17.061 -2.266 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.202 16.283 -4.560 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.486 17.423 -4.913 1.00 0.00 H new ATOM 0 HG SER A 30 -1.537 18.479 -4.230 1.00 0.00 H new ATOM 581 N SER A 31 -5.175 14.634 -4.024 1.00 0.00 N ATOM 582 CA SER A 31 -6.383 14.099 -4.640 1.00 0.00 C ATOM 583 C SER A 31 -7.566 14.163 -3.679 1.00 0.00 C ATOM 584 O SER A 31 -8.715 14.301 -4.102 1.00 0.00 O ATOM 585 CB SER A 31 -6.151 12.653 -5.081 1.00 0.00 C ATOM 586 OG SER A 31 -6.097 12.553 -6.493 1.00 0.00 O ATOM 0 H SER A 31 -4.438 13.946 -3.873 1.00 0.00 H new ATOM 0 HA SER A 31 -6.617 14.711 -5.511 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.220 12.283 -4.651 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.952 12.020 -4.699 1.00 0.00 H new ATOM 0 HG SER A 31 -6.971 12.786 -6.871 1.00 0.00 H new ATOM 592 N TRP A 32 -7.281 14.054 -2.387 1.00 0.00 N ATOM 593 CA TRP A 32 -8.325 14.092 -1.368 1.00 0.00 C ATOM 594 C TRP A 32 -8.493 15.497 -0.791 1.00 0.00 C ATOM 595 O TRP A 32 -9.142 15.678 0.240 1.00 0.00 O ATOM 596 CB TRP A 32 -8.001 13.103 -0.246 1.00 0.00 C ATOM 597 CG TRP A 32 -7.517 11.776 -0.745 1.00 0.00 C ATOM 598 CD1 TRP A 32 -6.313 11.511 -1.332 1.00 0.00 C ATOM 599 CD2 TRP A 32 -8.226 10.532 -0.704 1.00 0.00 C ATOM 600 NE1 TRP A 32 -6.231 10.180 -1.661 1.00 0.00 N ATOM 601 CE2 TRP A 32 -7.393 9.557 -1.284 1.00 0.00 C ATOM 602 CE3 TRP A 32 -9.486 10.148 -0.232 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -7.778 8.224 -1.405 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -9.867 8.825 -0.353 1.00 0.00 C ATOM 605 CH2 TRP A 32 -9.016 7.877 -0.934 1.00 0.00 C ATOM 0 H TRP A 32 -6.337 13.939 -2.019 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.264 13.808 -1.842 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.241 13.538 0.404 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.892 12.951 0.363 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.538 12.242 -1.511 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -5.435 9.729 -2.112 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.149 10.872 0.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -7.124 7.491 -1.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -10.838 8.517 0.007 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.343 6.851 -1.012 1.00 0.00 H new ATOM 616 N ALA A 33 -7.909 16.491 -1.457 1.00 0.00 N ATOM 617 CA ALA A 33 -8.003 17.872 -1.001 1.00 0.00 C ATOM 618 C ALA A 33 -9.458 18.312 -0.863 1.00 0.00 C ATOM 619 O ALA A 33 -9.892 18.716 0.216 1.00 0.00 O ATOM 620 CB ALA A 33 -7.260 18.795 -1.955 1.00 0.00 C ATOM 0 H ALA A 33 -7.367 16.364 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.539 17.933 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.339 19.823 -1.602 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.210 18.505 -1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.698 18.719 -2.950 1.00 0.00 H new ATOM 626 N ASP A 34 -10.207 18.231 -1.959 1.00 0.00 N ATOM 627 CA ASP A 34 -11.614 18.622 -1.952 1.00 0.00 C ATOM 628 C ASP A 34 -12.495 17.525 -1.352 1.00 0.00 C ATOM 629 O ASP A 34 -13.707 17.696 -1.226 1.00 0.00 O ATOM 630 CB ASP A 34 -12.085 18.954 -3.371 1.00 0.00 C ATOM 631 CG ASP A 34 -11.694 17.888 -4.375 1.00 0.00 C ATOM 632 OD1 ASP A 34 -11.596 16.707 -3.978 1.00 0.00 O ATOM 633 OD2 ASP A 34 -11.484 18.233 -5.557 1.00 0.00 O ATOM 0 H ASP A 34 -9.865 17.899 -2.861 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.707 19.511 -1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.169 19.071 -3.373 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.661 19.910 -3.677 1.00 0.00 H new ATOM 638 N GLY A 35 -11.883 16.401 -0.980 1.00 0.00 N ATOM 639 CA GLY A 35 -12.638 15.305 -0.396 1.00 0.00 C ATOM 640 C GLY A 35 -13.570 14.643 -1.391 1.00 0.00 C ATOM 641 O GLY A 35 -14.642 14.163 -1.022 1.00 0.00 O ATOM 0 H GLY A 35 -10.882 16.231 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.945 14.561 -0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.219 15.678 0.448 1.00 0.00 H new ATOM 645 N LEU A 36 -13.164 14.618 -2.656 1.00 0.00 N ATOM 646 CA LEU A 36 -13.973 14.011 -3.706 1.00 0.00 C ATOM 647 C LEU A 36 -13.919 12.488 -3.630 1.00 0.00 C ATOM 648 O LEU A 36 -14.929 11.811 -3.822 1.00 0.00 O ATOM 649 CB LEU A 36 -13.497 14.485 -5.083 1.00 0.00 C ATOM 650 CG LEU A 36 -14.413 15.505 -5.767 1.00 0.00 C ATOM 651 CD1 LEU A 36 -13.603 16.665 -6.327 1.00 0.00 C ATOM 652 CD2 LEU A 36 -15.227 14.837 -6.866 1.00 0.00 C ATOM 0 H LEU A 36 -12.280 15.011 -2.979 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.007 14.324 -3.558 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.505 14.923 -4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.394 13.617 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.102 15.901 -5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -14.273 17.378 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.068 17.160 -5.516 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.887 16.289 -7.058 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.872 15.576 -7.341 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.554 14.411 -7.610 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -15.839 14.045 -6.435 1.00 0.00 H new ATOM 664 N ALA A 37 -12.732 11.956 -3.356 1.00 0.00 N ATOM 665 CA ALA A 37 -12.546 10.513 -3.261 1.00 0.00 C ATOM 666 C ALA A 37 -13.421 9.911 -2.166 1.00 0.00 C ATOM 667 O ALA A 37 -14.090 8.900 -2.377 1.00 0.00 O ATOM 668 CB ALA A 37 -11.082 10.187 -3.008 1.00 0.00 C ATOM 0 H ALA A 37 -11.886 12.502 -3.196 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.849 10.072 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.957 9.106 -2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.477 10.571 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.762 10.650 -2.074 1.00 0.00 H new ATOM 674 N LEU A 38 -13.406 10.536 -0.993 1.00 0.00 N ATOM 675 CA LEU A 38 -14.195 10.059 0.137 1.00 0.00 C ATOM 676 C LEU A 38 -15.689 10.204 -0.134 1.00 0.00 C ATOM 677 O LEU A 38 -16.468 9.283 0.114 1.00 0.00 O ATOM 678 CB LEU A 38 -13.820 10.825 1.407 1.00 0.00 C ATOM 679 CG LEU A 38 -14.100 10.083 2.718 1.00 0.00 C ATOM 680 CD1 LEU A 38 -12.876 10.109 3.622 1.00 0.00 C ATOM 681 CD2 LEU A 38 -15.302 10.688 3.427 1.00 0.00 C ATOM 0 H LEU A 38 -12.856 11.373 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 38 -13.973 9.001 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.759 11.070 1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.365 11.769 1.418 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.327 9.044 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -13.096 9.577 4.547 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.040 9.627 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.615 11.142 3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.486 10.148 4.356 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.103 11.736 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.179 10.613 2.784 1.00 0.00 H new ATOM 693 N CYS A 39 -16.085 11.367 -0.641 1.00 0.00 N ATOM 694 CA CYS A 39 -17.488 11.632 -0.942 1.00 0.00 C ATOM 695 C CYS A 39 -17.998 10.701 -2.038 1.00 0.00 C ATOM 696 O CYS A 39 -19.112 10.184 -1.956 1.00 0.00 O ATOM 697 CB CYS A 39 -17.670 13.091 -1.366 1.00 0.00 C ATOM 698 SG CYS A 39 -19.151 13.877 -0.688 1.00 0.00 S ATOM 0 H CYS A 39 -15.455 12.141 -0.852 1.00 0.00 H new ATOM 0 HA CYS A 39 -18.070 11.447 -0.039 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -16.794 13.661 -1.055 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -17.712 13.140 -2.454 1.00 0.00 H new ATOM 0 HG CYS A 39 -19.015 15.169 -0.731 1.00 0.00 H new ATOM 704 N ALA A 40 -17.178 10.494 -3.064 1.00 0.00 N ATOM 705 CA ALA A 40 -17.547 9.627 -4.176 1.00 0.00 C ATOM 706 C ALA A 40 -17.877 8.218 -3.694 1.00 0.00 C ATOM 707 O ALA A 40 -18.887 7.637 -4.089 1.00 0.00 O ATOM 708 CB ALA A 40 -16.427 9.586 -5.205 1.00 0.00 C ATOM 0 H ALA A 40 -16.253 10.916 -3.148 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.442 10.039 -4.642 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.715 8.935 -6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.243 10.592 -5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.519 9.202 -4.740 1.00 0.00 H new ATOM 714 N LEU A 41 -17.016 7.673 -2.840 1.00 0.00 N ATOM 715 CA LEU A 41 -17.218 6.330 -2.305 1.00 0.00 C ATOM 716 C LEU A 41 -18.538 6.239 -1.548 1.00 0.00 C ATOM 717 O LEU A 41 -19.360 5.357 -1.811 1.00 0.00 O ATOM 718 CB LEU A 41 -16.059 5.948 -1.380 1.00 0.00 C ATOM 719 CG LEU A 41 -14.667 6.057 -2.004 1.00 0.00 C ATOM 720 CD1 LEU A 41 -13.653 6.525 -0.971 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.245 4.723 -2.600 1.00 0.00 C ATOM 0 H LEU A 41 -16.173 8.139 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.251 5.633 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.095 6.585 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.209 4.923 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.706 6.795 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.669 6.596 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.947 7.503 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.616 5.811 -0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.252 4.819 -3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.223 3.965 -1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.956 4.428 -3.371 1.00 0.00 H new ATOM 733 N VAL A 42 -18.737 7.156 -0.607 1.00 0.00 N ATOM 734 CA VAL A 42 -19.958 7.181 0.189 1.00 0.00 C ATOM 735 C VAL A 42 -21.185 7.345 -0.703 1.00 0.00 C ATOM 736 O VAL A 42 -22.198 6.672 -0.512 1.00 0.00 O ATOM 737 CB VAL A 42 -19.933 8.323 1.223 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.120 8.214 2.168 1.00 0.00 C ATOM 739 CG2 VAL A 42 -18.622 8.318 1.998 1.00 0.00 C ATOM 0 H VAL A 42 -18.068 7.891 -0.377 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.015 6.228 0.716 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.008 9.271 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.085 9.029 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.046 8.275 1.597 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.080 7.260 2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.625 9.132 2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.512 7.368 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.790 8.451 1.306 1.00 0.00 H new ATOM 749 N TYR A 43 -21.082 8.240 -1.678 1.00 0.00 N ATOM 750 CA TYR A 43 -22.180 8.495 -2.605 1.00 0.00 C ATOM 751 C TYR A 43 -22.559 7.225 -3.358 1.00 0.00 C ATOM 752 O TYR A 43 -23.737 6.971 -3.610 1.00 0.00 O ATOM 753 CB TYR A 43 -21.788 9.592 -3.595 1.00 0.00 C ATOM 754 CG TYR A 43 -22.885 9.947 -4.574 1.00 0.00 C ATOM 755 CD1 TYR A 43 -23.843 10.899 -4.256 1.00 0.00 C ATOM 756 CD2 TYR A 43 -22.960 9.330 -5.816 1.00 0.00 C ATOM 757 CE1 TYR A 43 -24.846 11.228 -5.146 1.00 0.00 C ATOM 758 CE2 TYR A 43 -23.961 9.654 -6.714 1.00 0.00 C ATOM 759 CZ TYR A 43 -24.900 10.603 -6.374 1.00 0.00 C ATOM 760 OH TYR A 43 -25.898 10.928 -7.263 1.00 0.00 O ATOM 0 H TYR A 43 -20.248 8.803 -1.848 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.045 8.825 -2.029 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.505 10.486 -3.040 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -20.907 9.270 -4.151 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -23.803 11.391 -3.296 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -22.225 8.586 -6.085 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -25.584 11.971 -4.882 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -24.006 9.166 -7.676 1.00 0.00 H new ATOM 0 HH TYR A 43 -25.793 10.399 -8.081 1.00 0.00 H new ATOM 770 N ARG A 44 -21.557 6.428 -3.714 1.00 0.00 N ATOM 771 CA ARG A 44 -21.792 5.184 -4.437 1.00 0.00 C ATOM 772 C ARG A 44 -22.619 4.218 -3.594 1.00 0.00 C ATOM 773 O ARG A 44 -23.531 3.565 -4.097 1.00 0.00 O ATOM 774 CB ARG A 44 -20.466 4.531 -4.829 1.00 0.00 C ATOM 775 CG ARG A 44 -20.628 3.342 -5.762 1.00 0.00 C ATOM 776 CD ARG A 44 -19.345 3.042 -6.519 1.00 0.00 C ATOM 777 NE ARG A 44 -19.413 3.487 -7.909 1.00 0.00 N ATOM 778 CZ ARG A 44 -18.682 2.969 -8.894 1.00 0.00 C ATOM 779 NH1 ARG A 44 -17.820 1.989 -8.646 1.00 0.00 N ATOM 780 NH2 ARG A 44 -18.810 3.431 -10.129 1.00 0.00 N ATOM 0 H ARG A 44 -20.576 6.621 -3.514 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.349 5.421 -5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -19.831 5.276 -5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -19.949 4.206 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -20.924 2.465 -5.186 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -21.431 3.543 -6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -18.508 3.532 -6.022 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -19.149 1.970 -6.491 1.00 0.00 H new ATOM 0 HE ARG A 44 -20.060 4.241 -8.139 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.716 1.630 -7.697 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.263 1.596 -9.404 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -19.469 4.184 -10.326 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.250 3.034 -10.883 1.00 0.00 H new ATOM 794 N LEU A 45 -22.295 4.139 -2.307 1.00 0.00 N ATOM 795 CA LEU A 45 -23.013 3.257 -1.394 1.00 0.00 C ATOM 796 C LEU A 45 -24.343 3.878 -0.979 1.00 0.00 C ATOM 797 O LEU A 45 -25.344 3.181 -0.817 1.00 0.00 O ATOM 798 CB LEU A 45 -22.162 2.965 -0.155 1.00 0.00 C ATOM 799 CG LEU A 45 -21.128 1.852 -0.328 1.00 0.00 C ATOM 800 CD1 LEU A 45 -21.813 0.500 -0.446 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.256 2.116 -1.546 1.00 0.00 C ATOM 0 H LEU A 45 -21.542 4.674 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.214 2.320 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.644 3.879 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.825 2.699 0.668 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.489 1.838 0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -21.061 -0.279 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.393 0.306 0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.477 0.503 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.527 1.313 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -20.881 2.159 -2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -19.735 3.065 -1.422 1.00 0.00 H new ATOM 813 N GLN A 46 -24.344 5.197 -0.814 1.00 0.00 N ATOM 814 CA GLN A 46 -25.546 5.923 -0.424 1.00 0.00 C ATOM 815 C GLN A 46 -25.577 7.299 -1.084 1.00 0.00 C ATOM 816 O GLN A 46 -25.259 8.307 -0.452 1.00 0.00 O ATOM 817 CB GLN A 46 -25.610 6.071 1.097 1.00 0.00 C ATOM 818 CG GLN A 46 -26.140 4.833 1.805 1.00 0.00 C ATOM 819 CD GLN A 46 -27.639 4.890 2.032 1.00 0.00 C ATOM 820 OE1 GLN A 46 -28.404 5.218 1.124 1.00 0.00 O ATOM 821 NE2 GLN A 46 -28.065 4.569 3.247 1.00 0.00 N ATOM 0 H GLN A 46 -23.522 5.786 -0.945 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.413 5.354 -0.759 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -24.613 6.297 1.474 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -26.245 6.922 1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -25.899 3.949 1.214 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -25.635 4.723 2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -27.395 4.303 3.969 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -29.062 4.588 3.459 1.00 0.00 H new ATOM 830 N PRO A 47 -25.959 7.357 -2.370 1.00 0.00 N ATOM 831 CA PRO A 47 -26.024 8.616 -3.118 1.00 0.00 C ATOM 832 C PRO A 47 -27.168 9.510 -2.659 1.00 0.00 C ATOM 833 O PRO A 47 -27.018 10.726 -2.556 1.00 0.00 O ATOM 834 CB PRO A 47 -26.245 8.161 -4.562 1.00 0.00 C ATOM 835 CG PRO A 47 -26.910 6.834 -4.442 1.00 0.00 C ATOM 836 CD PRO A 47 -26.349 6.201 -3.198 1.00 0.00 C ATOM 0 HA PRO A 47 -25.125 9.217 -2.979 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -26.868 8.868 -5.109 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.301 8.084 -5.102 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -27.992 6.945 -4.370 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -26.711 6.217 -5.318 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.089 5.579 -2.695 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.495 5.562 -3.423 1.00 0.00 H new ATOM 844 N GLY A 48 -28.309 8.895 -2.384 1.00 0.00 N ATOM 845 CA GLY A 48 -29.467 9.646 -1.939 1.00 0.00 C ATOM 846 C GLY A 48 -29.206 10.401 -0.650 1.00 0.00 C ATOM 847 O GLY A 48 -29.785 11.462 -0.417 1.00 0.00 O ATOM 0 H GLY A 48 -28.455 7.888 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -29.760 10.351 -2.717 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.305 8.964 -1.794 1.00 0.00 H new ATOM 851 N LEU A 49 -28.339 9.850 0.192 1.00 0.00 N ATOM 852 CA LEU A 49 -28.008 10.476 1.466 1.00 0.00 C ATOM 853 C LEU A 49 -26.731 11.306 1.361 1.00 0.00 C ATOM 854 O LEU A 49 -26.046 11.531 2.359 1.00 0.00 O ATOM 855 CB LEU A 49 -27.846 9.410 2.552 1.00 0.00 C ATOM 856 CG LEU A 49 -29.149 8.773 3.038 1.00 0.00 C ATOM 857 CD1 LEU A 49 -29.968 9.773 3.839 1.00 0.00 C ATOM 858 CD2 LEU A 49 -29.955 8.238 1.863 1.00 0.00 C ATOM 0 H LEU A 49 -27.853 8.971 0.015 1.00 0.00 H new ATOM 0 HA LEU A 49 -28.827 11.143 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -27.195 8.623 2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -27.339 9.858 3.406 1.00 0.00 H new ATOM 0 HG LEU A 49 -28.898 7.936 3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -30.891 9.301 4.176 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -29.393 10.104 4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -30.208 10.632 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -30.878 7.789 2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -30.194 9.056 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -29.371 7.486 1.333 1.00 0.00 H new ATOM 870 N LEU A 50 -26.413 11.762 0.151 1.00 0.00 N ATOM 871 CA LEU A 50 -25.215 12.564 -0.067 1.00 0.00 C ATOM 872 C LEU A 50 -25.386 13.501 -1.260 1.00 0.00 C ATOM 873 O LEU A 50 -26.379 13.429 -1.984 1.00 0.00 O ATOM 874 CB LEU A 50 -24.003 11.657 -0.284 1.00 0.00 C ATOM 875 CG LEU A 50 -23.236 11.284 0.988 1.00 0.00 C ATOM 876 CD1 LEU A 50 -23.643 9.901 1.472 1.00 0.00 C ATOM 877 CD2 LEU A 50 -21.735 11.344 0.744 1.00 0.00 C ATOM 0 H LEU A 50 -26.966 11.590 -0.688 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.053 13.173 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.337 10.741 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -23.317 12.151 -0.972 1.00 0.00 H new ATOM 0 HG LEU A 50 -23.487 12.007 1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -23.087 9.654 2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -24.711 9.891 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.423 9.165 0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -21.207 11.076 1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -21.467 10.645 -0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -21.455 12.354 0.446 1.00 0.00 H new ATOM 889 N GLU A 51 -24.405 14.378 -1.458 1.00 0.00 N ATOM 890 CA GLU A 51 -24.433 15.332 -2.562 1.00 0.00 C ATOM 891 C GLU A 51 -23.024 15.834 -2.874 1.00 0.00 C ATOM 892 O GLU A 51 -22.751 17.035 -2.809 1.00 0.00 O ATOM 893 CB GLU A 51 -25.348 16.513 -2.224 1.00 0.00 C ATOM 894 CG GLU A 51 -26.808 16.124 -2.056 1.00 0.00 C ATOM 895 CD GLU A 51 -27.738 17.322 -2.100 1.00 0.00 C ATOM 896 OE1 GLU A 51 -27.373 18.376 -1.538 1.00 0.00 O ATOM 897 OE2 GLU A 51 -28.830 17.205 -2.695 1.00 0.00 O ATOM 0 H GLU A 51 -23.578 14.447 -0.865 1.00 0.00 H new ATOM 0 HA GLU A 51 -24.825 14.824 -3.443 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -24.998 16.982 -1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.268 17.261 -3.013 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.087 15.423 -2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -26.935 15.604 -1.106 1.00 0.00 H new ATOM 904 N PRO A 52 -22.106 14.916 -3.219 1.00 0.00 N ATOM 905 CA PRO A 52 -20.717 15.255 -3.541 1.00 0.00 C ATOM 906 C PRO A 52 -20.612 16.331 -4.613 1.00 0.00 C ATOM 907 O PRO A 52 -19.671 17.123 -4.621 1.00 0.00 O ATOM 908 CB PRO A 52 -20.121 13.933 -4.055 1.00 0.00 C ATOM 909 CG PRO A 52 -21.292 13.041 -4.302 1.00 0.00 C ATOM 910 CD PRO A 52 -22.347 13.471 -3.327 1.00 0.00 C ATOM 0 HA PRO A 52 -20.196 15.662 -2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.547 14.090 -4.968 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.442 13.497 -3.322 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.646 13.136 -5.328 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.025 11.995 -4.153 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.351 13.253 -3.692 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.241 12.968 -2.366 1.00 0.00 H new ATOM 918 N SER A 53 -21.582 16.353 -5.520 1.00 0.00 N ATOM 919 CA SER A 53 -21.595 17.332 -6.602 1.00 0.00 C ATOM 920 C SER A 53 -21.488 18.754 -6.063 1.00 0.00 C ATOM 921 O SER A 53 -20.699 19.559 -6.560 1.00 0.00 O ATOM 922 CB SER A 53 -22.871 17.185 -7.433 1.00 0.00 C ATOM 923 OG SER A 53 -22.610 17.395 -8.811 1.00 0.00 O ATOM 0 H SER A 53 -22.369 15.705 -5.528 1.00 0.00 H new ATOM 0 HA SER A 53 -20.729 17.142 -7.235 1.00 0.00 H new ATOM 0 HB2 SER A 53 -23.291 16.190 -7.287 1.00 0.00 H new ATOM 0 HB3 SER A 53 -23.618 17.900 -7.088 1.00 0.00 H new ATOM 0 HG SER A 53 -23.441 17.294 -9.320 1.00 0.00 H new ATOM 929 N GLU A 54 -22.288 19.057 -5.051 1.00 0.00 N ATOM 930 CA GLU A 54 -22.289 20.384 -4.448 1.00 0.00 C ATOM 931 C GLU A 54 -21.021 20.628 -3.632 1.00 0.00 C ATOM 932 O GLU A 54 -20.357 21.650 -3.795 1.00 0.00 O ATOM 933 CB GLU A 54 -23.521 20.559 -3.556 1.00 0.00 C ATOM 934 CG GLU A 54 -24.713 21.165 -4.278 1.00 0.00 C ATOM 935 CD GLU A 54 -25.595 21.986 -3.357 1.00 0.00 C ATOM 936 OE1 GLU A 54 -25.062 22.875 -2.661 1.00 0.00 O ATOM 937 OE2 GLU A 54 -26.820 21.738 -3.332 1.00 0.00 O ATOM 0 H GLU A 54 -22.946 18.402 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.319 21.115 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.807 19.588 -3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.259 21.193 -2.709 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.358 21.796 -5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -25.305 20.368 -4.727 1.00 0.00 H new ATOM 944 N LEU A 55 -20.699 19.685 -2.754 1.00 0.00 N ATOM 945 CA LEU A 55 -19.516 19.797 -1.901 1.00 0.00 C ATOM 946 C LEU A 55 -18.220 19.635 -2.695 1.00 0.00 C ATOM 947 O LEU A 55 -17.132 19.868 -2.169 1.00 0.00 O ATOM 948 CB LEU A 55 -19.570 18.751 -0.786 1.00 0.00 C ATOM 949 CG LEU A 55 -20.905 18.662 -0.044 1.00 0.00 C ATOM 950 CD1 LEU A 55 -21.126 17.254 0.489 1.00 0.00 C ATOM 951 CD2 LEU A 55 -20.953 19.676 1.089 1.00 0.00 C ATOM 0 H LEU A 55 -21.240 18.832 -2.612 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.520 20.798 -1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.344 17.774 -1.214 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.784 18.972 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.706 18.893 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.080 17.209 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -21.135 16.548 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.321 16.995 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.909 19.599 1.606 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.144 19.476 1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.840 20.681 0.683 1.00 0.00 H new ATOM 963 N GLN A 56 -18.335 19.227 -3.952 1.00 0.00 N ATOM 964 CA GLN A 56 -17.162 19.026 -4.796 1.00 0.00 C ATOM 965 C GLN A 56 -16.371 20.318 -4.962 1.00 0.00 C ATOM 966 O GLN A 56 -15.140 20.307 -4.952 1.00 0.00 O ATOM 967 CB GLN A 56 -17.583 18.488 -6.168 1.00 0.00 C ATOM 968 CG GLN A 56 -16.427 18.302 -7.138 1.00 0.00 C ATOM 969 CD GLN A 56 -16.893 18.136 -8.571 1.00 0.00 C ATOM 970 OE1 GLN A 56 -16.629 18.985 -9.424 1.00 0.00 O ATOM 971 NE2 GLN A 56 -17.589 17.039 -8.844 1.00 0.00 N ATOM 0 H GLN A 56 -19.225 19.029 -4.410 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.518 18.296 -4.306 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.089 17.532 -6.033 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.308 19.172 -6.609 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.761 19.162 -7.073 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -15.847 17.427 -6.844 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -17.784 16.362 -8.106 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -17.928 16.873 -9.791 1.00 0.00 H new ATOM 980 N GLY A 57 -17.080 21.427 -5.113 1.00 0.00 N ATOM 981 CA GLY A 57 -16.416 22.706 -5.277 1.00 0.00 C ATOM 982 C GLY A 57 -16.781 23.702 -4.193 1.00 0.00 C ATOM 983 O GLY A 57 -16.116 24.727 -4.037 1.00 0.00 O ATOM 0 H GLY A 57 -18.099 21.466 -5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.337 22.553 -5.275 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.676 23.123 -6.250 1.00 0.00 H new ATOM 987 N LEU A 58 -17.836 23.407 -3.437 1.00 0.00 N ATOM 988 CA LEU A 58 -18.272 24.293 -2.365 1.00 0.00 C ATOM 989 C LEU A 58 -17.173 24.467 -1.327 1.00 0.00 C ATOM 990 O LEU A 58 -17.087 25.504 -0.667 1.00 0.00 O ATOM 991 CB LEU A 58 -19.539 23.750 -1.700 1.00 0.00 C ATOM 992 CG LEU A 58 -20.802 24.571 -1.966 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.623 23.946 -3.085 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.634 24.703 -0.699 1.00 0.00 C ATOM 0 H LEU A 58 -18.401 22.565 -3.547 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.494 25.266 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.706 22.730 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.375 23.699 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.500 25.570 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.517 24.545 -3.259 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.027 23.910 -3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.914 22.934 -2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.528 25.290 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.925 23.712 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -21.046 25.201 0.072 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.330 23.449 -1.185 1.00 0.00 N ATOM 1007 CA GLY A 59 -15.247 23.520 -0.222 1.00 0.00 C ATOM 1008 C GLY A 59 -14.637 22.166 0.081 1.00 0.00 C ATOM 1009 O GLY A 59 -15.311 21.139 -0.003 1.00 0.00 O ATOM 0 H GLY A 59 -16.377 22.580 -1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.472 24.185 -0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.619 23.961 0.703 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.356 22.167 0.438 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.650 20.933 0.759 1.00 0.00 C ATOM 1015 C ALA A 60 -13.033 20.431 2.145 1.00 0.00 C ATOM 1016 O ALA A 60 -13.488 19.297 2.303 1.00 0.00 O ATOM 1017 CB ALA A 60 -11.147 21.148 0.671 1.00 0.00 C ATOM 0 H ALA A 60 -12.786 23.010 0.512 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.941 20.175 0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.632 20.219 0.913 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.882 21.457 -0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.848 21.923 1.377 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.848 21.282 3.149 1.00 0.00 N ATOM 1024 CA LEU A 61 -13.175 20.925 4.523 1.00 0.00 C ATOM 1025 C LEU A 61 -14.660 20.604 4.661 1.00 0.00 C ATOM 1026 O LEU A 61 -15.045 19.700 5.401 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.796 22.062 5.474 1.00 0.00 C ATOM 1028 CG LEU A 61 -11.300 22.188 5.768 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -10.815 20.998 6.582 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -10.509 22.307 4.473 1.00 0.00 C ATOM 0 H LEU A 61 -12.473 22.224 3.036 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.602 20.036 4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -13.148 23.002 5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.325 21.919 6.416 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.139 23.094 6.353 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.749 21.104 6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -11.359 20.957 7.526 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.989 20.079 6.022 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.447 22.396 4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.676 21.420 3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -10.837 23.191 3.926 1.00 0.00 H new ATOM 1042 N GLU A 62 -15.489 21.354 3.941 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.933 21.150 3.981 1.00 0.00 C ATOM 1044 C GLU A 62 -17.306 19.780 3.425 1.00 0.00 C ATOM 1045 O GLU A 62 -18.118 19.064 4.008 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.646 22.246 3.190 1.00 0.00 C ATOM 1047 CG GLU A 62 -19.056 22.531 3.682 1.00 0.00 C ATOM 1048 CD GLU A 62 -19.936 23.141 2.607 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -19.921 22.632 1.468 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -20.639 24.129 2.907 1.00 0.00 O ATOM 0 H GLU A 62 -15.186 22.107 3.324 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.252 21.197 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.059 23.163 3.245 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.688 21.956 2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.508 21.604 4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.009 23.207 4.536 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.708 19.422 2.293 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.981 18.138 1.658 1.00 0.00 C ATOM 1059 C ALA A 63 -16.542 16.980 2.547 1.00 0.00 C ATOM 1060 O ALA A 63 -17.258 15.990 2.696 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.286 18.060 0.305 1.00 0.00 C ATOM 0 H ALA A 63 -16.032 20.003 1.797 1.00 0.00 H new ATOM 0 HA ALA A 63 -18.058 18.057 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.498 17.096 -0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.652 18.860 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.210 18.168 0.442 1.00 0.00 H new ATOM 1067 N THR A 64 -15.358 17.112 3.137 1.00 0.00 N ATOM 1068 CA THR A 64 -14.820 16.076 4.011 1.00 0.00 C ATOM 1069 C THR A 64 -15.643 15.953 5.292 1.00 0.00 C ATOM 1070 O THR A 64 -15.969 14.848 5.727 1.00 0.00 O ATOM 1071 CB THR A 64 -13.363 16.382 4.359 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.720 17.045 3.285 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.552 15.147 4.687 1.00 0.00 C ATOM 0 H THR A 64 -14.753 17.926 3.026 1.00 0.00 H new ATOM 0 HA THR A 64 -14.872 15.127 3.477 1.00 0.00 H new ATOM 0 HB THR A 64 -13.405 17.014 5.246 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.905 18.006 3.336 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.528 15.436 4.924 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.994 14.639 5.544 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.549 14.475 3.829 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.970 17.093 5.892 1.00 0.00 N ATOM 1082 CA ALA A 65 -16.746 17.110 7.127 1.00 0.00 C ATOM 1083 C ALA A 65 -18.150 16.550 6.912 1.00 0.00 C ATOM 1084 O ALA A 65 -18.646 15.771 7.725 1.00 0.00 O ATOM 1085 CB ALA A 65 -16.821 18.525 7.680 1.00 0.00 C ATOM 0 H ALA A 65 -15.710 18.016 5.544 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.240 16.471 7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.403 18.525 8.602 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.814 18.889 7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.300 19.176 6.949 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.786 16.953 5.816 1.00 0.00 N ATOM 1092 CA TRP A 66 -20.132 16.487 5.504 1.00 0.00 C ATOM 1093 C TRP A 66 -20.135 14.994 5.188 1.00 0.00 C ATOM 1094 O TRP A 66 -20.933 14.234 5.735 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.709 17.272 4.324 1.00 0.00 C ATOM 1096 CG TRP A 66 -22.137 17.680 4.523 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.596 18.698 5.309 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -23.292 17.079 3.927 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -23.967 18.765 5.239 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -24.418 17.782 4.397 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -23.484 16.015 3.042 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -25.714 17.456 4.010 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -24.772 15.691 2.660 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -25.873 16.410 3.143 1.00 0.00 C ATOM 0 H TRP A 66 -18.392 17.599 5.132 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.757 16.654 6.381 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -20.104 18.163 4.159 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -20.635 16.665 3.422 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -21.973 19.354 5.899 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.554 19.437 5.733 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -22.641 15.456 2.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -26.564 18.009 4.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -24.932 14.870 1.977 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -26.867 16.133 2.825 1.00 0.00 H new ATOM 1115 N ALA A 67 -19.237 14.585 4.297 1.00 0.00 N ATOM 1116 CA ALA A 67 -19.137 13.185 3.903 1.00 0.00 C ATOM 1117 C ALA A 67 -18.765 12.302 5.089 1.00 0.00 C ATOM 1118 O ALA A 67 -19.287 11.199 5.240 1.00 0.00 O ATOM 1119 CB ALA A 67 -18.117 13.024 2.786 1.00 0.00 C ATOM 0 H ALA A 67 -18.569 15.203 3.835 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.114 12.867 3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -18.052 11.974 2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.425 13.615 1.924 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.142 13.367 3.132 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.856 12.791 5.926 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.411 12.041 7.095 1.00 0.00 C ATOM 1127 C LEU A 68 -18.555 11.828 8.082 1.00 0.00 C ATOM 1128 O LEU A 68 -18.744 10.726 8.598 1.00 0.00 O ATOM 1129 CB LEU A 68 -16.256 12.768 7.783 1.00 0.00 C ATOM 1130 CG LEU A 68 -15.523 11.952 8.852 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -14.062 11.756 8.470 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -15.632 12.627 10.211 1.00 0.00 C ATOM 0 H LEU A 68 -17.413 13.703 5.817 1.00 0.00 H new ATOM 0 HA LEU A 68 -17.067 11.064 6.755 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -15.536 13.075 7.024 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -16.642 13.678 8.243 1.00 0.00 H new ATOM 0 HG LEU A 68 -15.996 10.972 8.916 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.559 11.174 9.242 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -14.002 11.226 7.519 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.577 12.728 8.374 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -15.105 12.032 10.956 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -15.188 13.621 10.160 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -16.682 12.713 10.491 1.00 0.00 H new ATOM 1144 N LYS A 69 -19.312 12.888 8.346 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.432 12.814 9.279 1.00 0.00 C ATOM 1146 C LYS A 69 -21.544 11.921 8.736 1.00 0.00 C ATOM 1147 O LYS A 69 -22.052 11.049 9.440 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.979 14.215 9.561 1.00 0.00 C ATOM 1149 CG LYS A 69 -22.116 14.234 10.570 1.00 0.00 C ATOM 1150 CD LYS A 69 -22.539 15.655 10.905 1.00 0.00 C ATOM 1151 CE LYS A 69 -23.783 16.064 10.131 1.00 0.00 C ATOM 1152 NZ LYS A 69 -23.499 16.251 8.682 1.00 0.00 N ATOM 0 H LYS A 69 -19.171 13.808 7.928 1.00 0.00 H new ATOM 0 HA LYS A 69 -20.067 12.377 10.208 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -20.169 14.845 9.928 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -21.327 14.655 8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -22.968 13.684 10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -21.805 13.722 11.480 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -22.732 15.736 11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -21.724 16.342 10.676 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -24.554 15.303 10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -24.180 16.991 10.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -24.301 16.736 8.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -22.639 16.825 8.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -23.358 15.323 8.233 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.921 12.145 7.483 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.974 11.357 6.852 1.00 0.00 C ATOM 1168 C VAL A 70 -22.525 9.918 6.626 1.00 0.00 C ATOM 1169 O VAL A 70 -23.306 8.982 6.795 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.409 11.967 5.506 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -24.618 11.231 4.948 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -23.705 13.452 5.661 1.00 0.00 C ATOM 0 H VAL A 70 -21.515 12.864 6.884 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.824 11.366 7.534 1.00 0.00 H new ATOM 0 HB VAL A 70 -22.588 11.856 4.798 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.909 11.678 3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.366 10.182 4.794 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -25.446 11.306 5.652 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -24.011 13.864 4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -24.507 13.589 6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -22.810 13.967 6.009 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.264 9.745 6.243 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.721 8.413 5.999 1.00 0.00 C ATOM 1184 C ALA A 71 -20.886 7.534 7.231 1.00 0.00 C ATOM 1185 O ALA A 71 -21.325 6.388 7.137 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.253 8.502 5.604 1.00 0.00 C ATOM 0 H ALA A 71 -20.602 10.506 6.095 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.275 7.961 5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.863 7.500 5.425 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.156 9.096 4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.688 8.973 6.408 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.543 8.087 8.388 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.664 7.362 9.645 1.00 0.00 C ATOM 1194 C GLU A 72 -22.132 7.175 10.015 1.00 0.00 C ATOM 1195 O GLU A 72 -22.520 6.140 10.550 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.928 8.102 10.766 1.00 0.00 C ATOM 1197 CG GLU A 72 -20.461 9.500 11.031 1.00 0.00 C ATOM 1198 CD GLU A 72 -19.937 10.088 12.326 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -18.738 9.900 12.620 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -20.724 10.739 13.046 1.00 0.00 O ATOM 0 H GLU A 72 -20.179 9.035 8.481 1.00 0.00 H new ATOM 0 HA GLU A 72 -20.208 6.380 9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.999 7.516 11.683 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -18.870 8.169 10.511 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -20.186 10.153 10.202 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -21.550 9.469 11.065 1.00 0.00 H new ATOM 1207 N ASN A 73 -22.944 8.187 9.729 1.00 0.00 N ATOM 1208 CA ASN A 73 -24.366 8.131 10.040 1.00 0.00 C ATOM 1209 C ASN A 73 -25.092 7.128 9.147 1.00 0.00 C ATOM 1210 O ASN A 73 -25.962 6.390 9.606 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.994 9.519 9.883 1.00 0.00 C ATOM 1212 CG ASN A 73 -25.301 10.169 11.219 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -24.400 10.647 11.911 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -26.575 10.187 11.590 1.00 0.00 N ATOM 0 H ASN A 73 -22.642 9.053 9.283 1.00 0.00 H new ATOM 0 HA ASN A 73 -24.470 7.801 11.074 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.317 10.159 9.317 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.913 9.436 9.303 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -26.841 10.609 12.480 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -27.288 9.779 10.985 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.736 7.117 7.866 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.364 6.217 6.903 1.00 0.00 C ATOM 1223 C GLU A 74 -24.768 4.809 6.954 1.00 0.00 C ATOM 1224 O GLU A 74 -25.496 3.819 6.869 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.229 6.787 5.487 1.00 0.00 C ATOM 1226 CG GLU A 74 -26.539 7.302 4.914 1.00 0.00 C ATOM 1227 CD GLU A 74 -27.216 8.311 5.820 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -27.939 7.886 6.744 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -27.022 9.526 5.604 1.00 0.00 O ATOM 0 H GLU A 74 -24.016 7.721 7.470 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.418 6.138 7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -24.502 7.599 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.833 6.014 4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -26.351 7.760 3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -27.212 6.462 4.745 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.446 4.722 7.063 1.00 0.00 N ATOM 1237 CA LEU A 75 -22.768 3.428 7.088 1.00 0.00 C ATOM 1238 C LEU A 75 -22.463 2.956 8.508 1.00 0.00 C ATOM 1239 O LEU A 75 -22.568 1.767 8.807 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.470 3.502 6.281 1.00 0.00 C ATOM 1241 CG LEU A 75 -21.581 4.229 4.941 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -20.203 4.589 4.411 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -22.334 3.372 3.933 1.00 0.00 C ATOM 0 H LEU A 75 -22.824 5.527 7.135 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.446 2.702 6.640 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.712 4.000 6.886 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.115 2.488 6.098 1.00 0.00 H new ATOM 0 HG LEU A 75 -22.139 5.152 5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.304 5.106 3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -19.697 5.240 5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -19.618 3.680 4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -22.405 3.904 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -21.801 2.433 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -23.336 3.165 4.308 1.00 0.00 H new ATOM 1255 N GLY A 76 -22.075 3.881 9.378 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.754 3.513 10.747 1.00 0.00 C ATOM 1257 C GLY A 76 -20.270 3.266 10.942 1.00 0.00 C ATOM 1258 O GLY A 76 -19.871 2.524 11.840 1.00 0.00 O ATOM 0 H GLY A 76 -21.977 4.873 9.164 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.080 4.306 11.420 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.309 2.615 11.020 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.452 3.890 10.100 1.00 0.00 N ATOM 1263 CA ILE A 77 -18.005 3.735 10.181 1.00 0.00 C ATOM 1264 C ILE A 77 -17.383 4.820 11.056 1.00 0.00 C ATOM 1265 O ILE A 77 -17.589 6.011 10.824 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.354 3.786 8.785 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -18.102 2.869 7.815 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -15.887 3.394 8.868 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -18.015 1.402 8.180 1.00 0.00 C ATOM 0 H ILE A 77 -19.768 4.508 9.353 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.818 2.758 10.627 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.415 4.808 8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -19.150 3.165 7.783 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -17.700 3.010 6.812 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.443 3.435 7.874 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.363 4.084 9.529 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.803 2.381 9.261 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -18.568 0.812 7.449 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.971 1.089 8.184 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -18.444 1.247 9.170 1.00 0.00 H new ATOM 1281 N THR A 78 -16.622 4.399 12.061 1.00 0.00 N ATOM 1282 CA THR A 78 -15.970 5.334 12.969 1.00 0.00 C ATOM 1283 C THR A 78 -14.781 6.014 12.290 1.00 0.00 C ATOM 1284 O THR A 78 -13.917 5.344 11.724 1.00 0.00 O ATOM 1285 CB THR A 78 -15.503 4.607 14.230 1.00 0.00 C ATOM 1286 OG1 THR A 78 -16.577 3.907 14.834 1.00 0.00 O ATOM 1287 CG2 THR A 78 -14.917 5.534 15.273 1.00 0.00 C ATOM 0 H THR A 78 -16.442 3.416 12.267 1.00 0.00 H new ATOM 0 HA THR A 78 -16.695 6.100 13.245 1.00 0.00 H new ATOM 0 HB THR A 78 -14.724 3.922 13.895 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.257 3.447 15.638 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.606 4.954 16.142 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.054 6.053 14.855 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.668 6.264 15.574 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.718 7.358 12.336 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.624 8.116 11.718 1.00 0.00 C ATOM 1297 C PRO A 79 -12.253 7.634 12.178 1.00 0.00 C ATOM 1298 O PRO A 79 -12.072 7.258 13.337 1.00 0.00 O ATOM 1299 CB PRO A 79 -13.871 9.551 12.189 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.330 9.608 12.482 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.703 8.243 12.987 1.00 0.00 C ATOM 0 HA PRO A 79 -13.616 8.006 10.634 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.280 9.784 13.075 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.593 10.273 11.421 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.549 10.373 13.227 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.898 9.862 11.587 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.639 8.185 14.074 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.724 7.978 12.713 1.00 0.00 H new ATOM 1309 N VAL A 80 -11.289 7.650 11.264 1.00 0.00 N ATOM 1310 CA VAL A 80 -9.932 7.215 11.574 1.00 0.00 C ATOM 1311 C VAL A 80 -8.948 8.381 11.516 1.00 0.00 C ATOM 1312 O VAL A 80 -7.878 8.331 12.125 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.458 6.111 10.607 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -8.106 5.564 11.039 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.490 4.996 10.522 1.00 0.00 C ATOM 0 H VAL A 80 -11.422 7.960 10.301 1.00 0.00 H new ATOM 0 HA VAL A 80 -9.957 6.815 12.588 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.346 6.548 9.615 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.789 4.786 10.344 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.372 6.369 11.042 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.187 5.144 12.041 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.138 4.226 9.835 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.637 4.561 11.510 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.435 5.401 10.160 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.314 9.430 10.785 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.460 10.604 10.653 1.00 0.00 C ATOM 1327 C VAL A 81 -9.291 11.879 10.560 1.00 0.00 C ATOM 1328 O VAL A 81 -10.438 11.852 10.114 1.00 0.00 O ATOM 1329 CB VAL A 81 -7.554 10.504 9.410 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -6.535 9.387 9.578 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -8.389 10.290 8.158 1.00 0.00 C ATOM 0 H VAL A 81 -10.196 9.490 10.276 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.836 10.643 11.546 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.012 11.444 9.302 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.905 9.333 8.690 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.915 9.589 10.451 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.054 8.438 9.713 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.733 10.222 7.290 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.960 9.366 8.255 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.074 11.128 8.030 1.00 0.00 H new ATOM 1341 N SER A 82 -8.705 12.994 10.984 1.00 0.00 N ATOM 1342 CA SER A 82 -9.393 14.279 10.949 1.00 0.00 C ATOM 1343 C SER A 82 -9.440 14.835 9.529 1.00 0.00 C ATOM 1344 O SER A 82 -8.537 14.597 8.728 1.00 0.00 O ATOM 1345 CB SER A 82 -8.697 15.278 11.876 1.00 0.00 C ATOM 1346 OG SER A 82 -7.361 15.510 11.466 1.00 0.00 O ATOM 0 H SER A 82 -7.756 13.033 11.356 1.00 0.00 H new ATOM 0 HA SER A 82 -10.416 14.124 11.293 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.248 16.219 11.881 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.706 14.898 12.898 1.00 0.00 H new ATOM 0 HG SER A 82 -6.939 16.153 12.074 1.00 0.00 H new ATOM 1352 N ALA A 83 -10.500 15.577 9.226 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.667 16.167 7.902 1.00 0.00 C ATOM 1354 C ALA A 83 -9.494 17.080 7.555 1.00 0.00 C ATOM 1355 O ALA A 83 -8.981 17.048 6.438 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.977 16.939 7.830 1.00 0.00 C ATOM 0 H ALA A 83 -11.256 15.784 9.879 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.693 15.358 7.172 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.089 17.374 6.837 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.809 16.263 8.026 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.972 17.734 8.576 1.00 0.00 H new ATOM 1362 N GLN A 84 -9.077 17.893 8.520 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.966 18.816 8.317 1.00 0.00 C ATOM 1364 C GLN A 84 -6.718 18.078 7.839 1.00 0.00 C ATOM 1365 O GLN A 84 -5.990 18.564 6.975 1.00 0.00 O ATOM 1366 CB GLN A 84 -7.663 19.574 9.613 1.00 0.00 C ATOM 1367 CG GLN A 84 -7.919 21.069 9.517 1.00 0.00 C ATOM 1368 CD GLN A 84 -8.693 21.609 10.703 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -9.921 21.520 10.750 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -7.980 22.174 11.669 1.00 0.00 N ATOM 0 H GLN A 84 -9.492 17.931 9.451 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.257 19.529 7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.272 19.160 10.417 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.621 19.409 9.885 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.966 21.592 9.442 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -8.471 21.280 8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.964 22.226 11.589 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -8.447 22.556 12.491 1.00 0.00 H new ATOM 1379 N ALA A 85 -6.480 16.900 8.407 1.00 0.00 N ATOM 1380 CA ALA A 85 -5.323 16.094 8.037 1.00 0.00 C ATOM 1381 C ALA A 85 -5.456 15.559 6.616 1.00 0.00 C ATOM 1382 O ALA A 85 -4.509 15.607 5.832 1.00 0.00 O ATOM 1383 CB ALA A 85 -5.144 14.947 9.021 1.00 0.00 C ATOM 0 H ALA A 85 -7.073 16.483 9.125 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.440 16.732 8.074 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.277 14.353 8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.993 15.348 10.023 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.034 14.318 9.012 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.641 15.052 6.290 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.899 14.506 4.962 1.00 0.00 C ATOM 1391 C VAL A 86 -6.736 15.576 3.887 1.00 0.00 C ATOM 1392 O VAL A 86 -6.090 15.348 2.865 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.316 13.910 4.866 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -8.497 13.170 3.549 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.590 12.989 6.045 1.00 0.00 C ATOM 0 H VAL A 86 -7.437 15.008 6.926 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.168 13.715 4.797 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.036 14.728 4.899 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.504 12.756 3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.348 13.861 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.769 12.362 3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.596 12.578 5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.864 12.176 6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.506 13.553 6.974 1.00 0.00 H new ATOM 1405 N VAL A 87 -7.331 16.741 4.123 1.00 0.00 N ATOM 1406 CA VAL A 87 -7.253 17.846 3.174 1.00 0.00 C ATOM 1407 C VAL A 87 -5.809 18.291 2.964 1.00 0.00 C ATOM 1408 O VAL A 87 -5.429 18.701 1.867 1.00 0.00 O ATOM 1409 CB VAL A 87 -8.088 19.052 3.646 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -8.110 20.139 2.582 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -9.500 18.618 4.005 1.00 0.00 C ATOM 0 H VAL A 87 -7.872 16.944 4.963 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.658 17.481 2.230 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.621 19.463 4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.705 20.982 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.092 20.472 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.549 19.743 1.666 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.074 19.484 4.336 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.979 18.178 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.461 17.880 4.807 1.00 0.00 H new ATOM 1421 N ALA A 88 -5.009 18.210 4.022 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.609 18.608 3.952 1.00 0.00 C ATOM 1423 C ALA A 88 -2.725 17.464 3.459 1.00 0.00 C ATOM 1424 O ALA A 88 -1.566 17.677 3.103 1.00 0.00 O ATOM 1425 CB ALA A 88 -3.132 19.093 5.313 1.00 0.00 C ATOM 0 H ALA A 88 -5.307 17.872 4.937 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.530 19.424 3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.085 19.387 5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.731 19.949 5.625 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.238 18.291 6.043 1.00 0.00 H new ATOM 1431 N GLY A 89 -3.271 16.252 3.441 1.00 0.00 N ATOM 1432 CA GLY A 89 -2.507 15.102 2.989 1.00 0.00 C ATOM 1433 C GLY A 89 -1.233 14.904 3.786 1.00 0.00 C ATOM 1434 O GLY A 89 -0.206 14.502 3.238 1.00 0.00 O ATOM 0 H GLY A 89 -4.227 16.045 3.731 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.124 14.207 3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.257 15.227 1.935 1.00 0.00 H new ATOM 1438 N SER A 90 -1.298 15.188 5.082 1.00 0.00 N ATOM 1439 CA SER A 90 -0.141 15.041 5.957 1.00 0.00 C ATOM 1440 C SER A 90 -0.274 13.800 6.833 1.00 0.00 C ATOM 1441 O SER A 90 0.139 13.800 7.994 1.00 0.00 O ATOM 1442 CB SER A 90 0.023 16.284 6.834 1.00 0.00 C ATOM 1443 OG SER A 90 0.830 17.258 6.193 1.00 0.00 O ATOM 0 H SER A 90 -2.141 15.522 5.550 1.00 0.00 H new ATOM 0 HA SER A 90 0.744 14.927 5.331 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.956 16.708 7.056 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.473 16.004 7.787 1.00 0.00 H new ATOM 0 HG SER A 90 0.918 18.043 6.773 1.00 0.00 H new ATOM 1449 N ASP A 91 -0.853 12.743 6.272 1.00 0.00 N ATOM 1450 CA ASP A 91 -1.037 11.496 7.005 1.00 0.00 C ATOM 1451 C ASP A 91 -1.297 10.334 6.047 1.00 0.00 C ATOM 1452 O ASP A 91 -2.369 9.727 6.067 1.00 0.00 O ATOM 1453 CB ASP A 91 -2.197 11.630 7.995 1.00 0.00 C ATOM 1454 CG ASP A 91 -1.732 12.045 9.377 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -0.665 11.565 9.813 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -2.434 12.851 10.022 1.00 0.00 O ATOM 0 H ASP A 91 -1.202 12.725 5.314 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.121 11.287 7.557 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.909 12.364 7.619 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.725 10.679 8.063 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.313 10.006 5.192 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.440 8.912 4.224 1.00 0.00 C ATOM 1463 C PRO A 92 -0.857 7.602 4.885 1.00 0.00 C ATOM 1464 O PRO A 92 -1.700 6.872 4.363 1.00 0.00 O ATOM 1465 CB PRO A 92 0.968 8.788 3.638 1.00 0.00 C ATOM 1466 CG PRO A 92 1.576 10.135 3.823 1.00 0.00 C ATOM 1467 CD PRO A 92 0.996 10.677 5.100 1.00 0.00 C ATOM 0 HA PRO A 92 -1.209 9.115 3.479 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.545 8.019 4.153 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.935 8.510 2.585 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.662 10.068 3.885 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.344 10.787 2.981 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.627 10.446 5.958 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.890 11.761 5.065 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.263 7.310 6.038 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.574 6.088 6.771 1.00 0.00 C ATOM 1477 C LEU A 93 -2.060 6.021 7.110 1.00 0.00 C ATOM 1478 O LEU A 93 -2.688 4.970 6.989 1.00 0.00 O ATOM 1479 CB LEU A 93 0.261 6.009 8.051 1.00 0.00 C ATOM 1480 CG LEU A 93 0.991 4.683 8.268 1.00 0.00 C ATOM 1481 CD1 LEU A 93 -0.005 3.537 8.369 1.00 0.00 C ATOM 1482 CD2 LEU A 93 1.983 4.431 7.143 1.00 0.00 C ATOM 0 H LEU A 93 0.436 7.903 6.485 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.328 5.238 6.134 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.997 6.813 8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.392 6.190 8.904 1.00 0.00 H new ATOM 0 HG LEU A 93 1.543 4.742 9.206 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.532 2.601 8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.677 3.712 9.209 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.584 3.476 7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.494 3.483 7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.452 4.391 6.192 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.715 5.238 7.116 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.618 7.152 7.530 1.00 0.00 N ATOM 1495 CA GLY A 94 -4.026 7.200 7.875 1.00 0.00 C ATOM 1496 C GLY A 94 -4.919 6.929 6.682 1.00 0.00 C ATOM 1497 O GLY A 94 -5.960 6.285 6.810 1.00 0.00 O ATOM 0 H GLY A 94 -2.120 8.036 7.637 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.232 6.467 8.655 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.263 8.180 8.289 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.509 7.420 5.516 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.277 7.227 4.292 1.00 0.00 C ATOM 1503 C LEU A 95 -5.403 5.744 3.960 1.00 0.00 C ATOM 1504 O LEU A 95 -6.472 5.273 3.572 1.00 0.00 O ATOM 1505 CB LEU A 95 -4.617 7.971 3.129 1.00 0.00 C ATOM 1506 CG LEU A 95 -5.139 9.387 2.887 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -6.638 9.367 2.630 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -4.810 10.286 4.070 1.00 0.00 C ATOM 0 H LEU A 95 -3.649 7.954 5.394 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.277 7.631 4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.544 8.022 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.757 7.388 2.219 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.645 9.789 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.992 10.384 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.848 8.758 1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.150 8.945 3.495 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.189 11.290 3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.275 9.887 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.729 10.326 4.207 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.303 5.012 4.114 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.293 3.582 3.830 1.00 0.00 C ATOM 1522 C ILE A 96 -5.221 2.830 4.778 1.00 0.00 C ATOM 1523 O ILE A 96 -5.950 1.928 4.363 1.00 0.00 O ATOM 1524 CB ILE A 96 -2.873 2.994 3.942 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -1.886 3.818 3.112 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -2.861 1.539 3.495 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -2.267 3.922 1.652 1.00 0.00 C ATOM 0 H ILE A 96 -3.409 5.386 4.433 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.646 3.460 2.806 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.564 3.035 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.817 4.821 3.534 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.895 3.370 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.850 1.140 3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.535 0.959 4.126 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.190 1.474 2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.524 4.519 1.124 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.308 2.924 1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.244 4.397 1.564 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.189 3.205 6.053 1.00 0.00 N ATOM 1540 CA ALA A 97 -6.027 2.566 7.058 1.00 0.00 C ATOM 1541 C ALA A 97 -7.504 2.841 6.795 1.00 0.00 C ATOM 1542 O ALA A 97 -8.353 1.974 7.000 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.638 3.042 8.450 1.00 0.00 C ATOM 0 H ALA A 97 -4.591 3.949 6.413 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.868 1.489 6.998 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.273 2.556 9.191 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.596 2.789 8.643 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.767 4.122 8.514 1.00 0.00 H new ATOM 1549 N TYR A 98 -7.802 4.054 6.341 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.176 4.445 6.048 1.00 0.00 C ATOM 1551 C TYR A 98 -9.748 3.605 4.911 1.00 0.00 C ATOM 1552 O TYR A 98 -10.858 3.079 5.012 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.239 5.929 5.683 1.00 0.00 C ATOM 1554 CG TYR A 98 -10.587 6.561 5.948 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.597 6.516 4.995 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -10.848 7.206 7.151 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -12.829 7.093 5.234 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -12.078 7.785 7.398 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.064 7.726 6.436 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.290 8.303 6.677 1.00 0.00 O ATOM 0 H TYR A 98 -7.110 4.783 6.168 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.776 4.272 6.942 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.478 6.466 6.249 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -8.994 6.046 4.627 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.416 6.022 4.052 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.077 7.256 7.905 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -13.604 7.049 4.483 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.266 8.281 8.339 1.00 0.00 H new ATOM 0 HH TYR A 98 -15.000 7.703 6.368 1.00 0.00 H new ATOM 1570 N LEU A 99 -8.984 3.483 3.830 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.416 2.706 2.673 1.00 0.00 C ATOM 1572 C LEU A 99 -9.704 1.260 3.063 1.00 0.00 C ATOM 1573 O LEU A 99 -10.656 0.652 2.576 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.346 2.752 1.577 1.00 0.00 C ATOM 1575 CG LEU A 99 -8.617 3.751 0.451 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -7.322 4.399 -0.012 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -9.318 3.065 -0.713 1.00 0.00 C ATOM 0 H LEU A 99 -8.064 3.912 3.731 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.337 3.147 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.388 2.996 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.248 1.757 1.144 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.273 4.532 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.535 5.106 -0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.860 4.925 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.641 3.631 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.503 3.791 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.687 2.263 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -10.267 2.650 -0.373 1.00 0.00 H new ATOM 1589 N SER A 100 -8.873 0.714 3.946 1.00 0.00 N ATOM 1590 CA SER A 100 -9.039 -0.661 4.402 1.00 0.00 C ATOM 1591 C SER A 100 -10.386 -0.846 5.095 1.00 0.00 C ATOM 1592 O SER A 100 -11.054 -1.864 4.913 1.00 0.00 O ATOM 1593 CB SER A 100 -7.905 -1.045 5.354 1.00 0.00 C ATOM 1594 OG SER A 100 -6.748 -1.440 4.636 1.00 0.00 O ATOM 0 H SER A 100 -8.079 1.203 4.359 1.00 0.00 H new ATOM 0 HA SER A 100 -9.008 -1.313 3.529 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.666 -0.200 5.999 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.230 -1.859 6.002 1.00 0.00 H new ATOM 0 HG SER A 100 -6.037 -1.679 5.267 1.00 0.00 H new ATOM 1600 N HIS A 101 -10.777 0.144 5.890 1.00 0.00 N ATOM 1601 CA HIS A 101 -12.043 0.090 6.610 1.00 0.00 C ATOM 1602 C HIS A 101 -13.222 0.177 5.645 1.00 0.00 C ATOM 1603 O HIS A 101 -14.184 -0.585 5.753 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.122 1.224 7.633 1.00 0.00 C ATOM 1605 CG HIS A 101 -12.908 0.873 8.857 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -13.869 -0.115 8.878 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -12.871 1.384 10.111 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -14.389 -0.197 10.090 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -13.800 0.702 10.857 1.00 0.00 N ATOM 0 H HIS A 101 -10.235 0.993 6.052 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.094 -0.865 7.133 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.112 1.506 7.929 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.572 2.097 7.161 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -14.137 -0.693 8.082 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.230 2.180 10.459 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -15.164 -0.882 10.400 1.00 0.00 H new ATOM 1618 N PHE A 102 -13.140 1.109 4.700 1.00 0.00 N ATOM 1619 CA PHE A 102 -14.197 1.295 3.716 1.00 0.00 C ATOM 1620 C PHE A 102 -14.293 0.088 2.787 1.00 0.00 C ATOM 1621 O PHE A 102 -15.386 -0.327 2.401 1.00 0.00 O ATOM 1622 CB PHE A 102 -13.946 2.565 2.900 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.752 3.746 3.363 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -14.617 4.230 4.654 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -15.643 4.371 2.507 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -15.356 5.316 5.082 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -16.386 5.458 2.929 1.00 0.00 C ATOM 1628 CZ PHE A 102 -16.241 5.931 4.219 1.00 0.00 C ATOM 0 H PHE A 102 -12.351 1.747 4.596 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.142 1.396 4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.887 2.816 2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.177 2.366 1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -13.926 3.753 5.334 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -15.759 4.005 1.498 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -15.241 5.684 6.091 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -17.078 5.936 2.252 1.00 0.00 H new ATOM 0 HZ PHE A 102 -16.819 6.780 4.552 1.00 0.00 H new ATOM 1638 N HIS A 103 -13.141 -0.472 2.432 1.00 0.00 N ATOM 1639 CA HIS A 103 -13.094 -1.632 1.550 1.00 0.00 C ATOM 1640 C HIS A 103 -13.848 -2.810 2.157 1.00 0.00 C ATOM 1641 O HIS A 103 -14.571 -3.520 1.458 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.641 -2.029 1.274 1.00 0.00 C ATOM 1643 CG HIS A 103 -11.446 -2.694 -0.053 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -10.570 -2.225 -1.009 1.00 0.00 N ATOM 1645 CD2 HIS A 103 -12.019 -3.801 -0.582 1.00 0.00 C ATOM 1646 CE1 HIS A 103 -10.613 -3.013 -2.069 1.00 0.00 C ATOM 1647 NE2 HIS A 103 -11.484 -3.977 -1.835 1.00 0.00 N ATOM 0 H HIS A 103 -12.227 -0.141 2.742 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.576 -1.362 0.610 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.014 -1.139 1.321 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -11.300 -2.701 2.062 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.759 -4.429 -0.107 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -10.034 -2.889 -2.972 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.721 -4.731 -2.480 1.00 0.00 H new ATOM 1656 N SER A 104 -13.676 -3.011 3.458 1.00 0.00 N ATOM 1657 CA SER A 104 -14.341 -4.104 4.159 1.00 0.00 C ATOM 1658 C SER A 104 -15.855 -3.998 4.023 1.00 0.00 C ATOM 1659 O SER A 104 -16.539 -4.991 3.775 1.00 0.00 O ATOM 1660 CB SER A 104 -13.947 -4.104 5.638 1.00 0.00 C ATOM 1661 OG SER A 104 -12.821 -4.933 5.866 1.00 0.00 O ATOM 0 H SER A 104 -13.081 -2.431 4.050 1.00 0.00 H new ATOM 0 HA SER A 104 -14.020 -5.042 3.705 1.00 0.00 H new ATOM 0 HB2 SER A 104 -13.724 -3.086 5.958 1.00 0.00 H new ATOM 0 HB3 SER A 104 -14.786 -4.451 6.241 1.00 0.00 H new ATOM 0 HG SER A 104 -12.588 -4.914 6.818 1.00 0.00 H new ATOM 1667 N ALA A 105 -16.375 -2.785 4.186 1.00 0.00 N ATOM 1668 CA ALA A 105 -17.809 -2.548 4.082 1.00 0.00 C ATOM 1669 C ALA A 105 -18.270 -2.611 2.629 1.00 0.00 C ATOM 1670 O ALA A 105 -19.332 -3.154 2.328 1.00 0.00 O ATOM 1671 CB ALA A 105 -18.167 -1.203 4.693 1.00 0.00 C ATOM 0 H ALA A 105 -15.824 -1.952 4.391 1.00 0.00 H new ATOM 0 HA ALA A 105 -18.324 -3.334 4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -19.241 -1.039 4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -17.880 -1.193 5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.636 -0.411 4.165 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.464 -2.049 1.735 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.788 -2.037 0.314 1.00 0.00 C ATOM 1679 C PHE A 106 -17.785 -3.452 -0.257 1.00 0.00 C ATOM 1680 O PHE A 106 -18.532 -3.758 -1.186 1.00 0.00 O ATOM 1681 CB PHE A 106 -16.788 -1.166 -0.446 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.076 0.305 -0.350 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -17.414 0.884 0.864 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -17.008 1.110 -1.474 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -17.678 2.237 0.953 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.271 2.464 -1.392 1.00 0.00 C ATOM 1687 CZ PHE A 106 -17.607 3.028 -0.177 1.00 0.00 C ATOM 0 H PHE A 106 -16.581 -1.596 1.970 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.788 -1.621 0.196 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.786 -1.357 -0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -16.788 -1.460 -1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -17.472 0.270 1.750 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -16.746 0.674 -2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -17.940 2.676 1.905 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -17.214 3.080 -2.277 1.00 0.00 H new ATOM 0 HZ PHE A 106 -17.814 4.086 -0.111 1.00 0.00 H new ATOM 1697 N LYS A 107 -16.940 -4.311 0.303 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.839 -5.693 -0.151 1.00 0.00 C ATOM 1699 C LYS A 107 -18.119 -6.462 0.163 1.00 0.00 C ATOM 1700 O LYS A 107 -18.559 -7.303 -0.622 1.00 0.00 O ATOM 1701 CB LYS A 107 -15.637 -6.382 0.499 1.00 0.00 C ATOM 1702 CG LYS A 107 -14.654 -6.965 -0.501 1.00 0.00 C ATOM 1703 CD LYS A 107 -15.240 -8.172 -1.220 1.00 0.00 C ATOM 1704 CE LYS A 107 -14.215 -9.287 -1.363 1.00 0.00 C ATOM 1705 NZ LYS A 107 -14.326 -9.978 -2.677 1.00 0.00 N ATOM 0 H LYS A 107 -16.314 -4.074 1.073 1.00 0.00 H new ATOM 0 HA LYS A 107 -16.698 -5.686 -1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -15.115 -5.663 1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -15.995 -7.179 1.151 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -14.381 -6.203 -1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -13.739 -7.256 0.014 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -16.105 -8.540 -0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -15.594 -7.873 -2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -13.212 -8.874 -1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -14.351 -10.011 -0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -13.611 -10.731 -2.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -15.275 -10.394 -2.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -14.170 -9.293 -3.444 1.00 0.00 H new