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 Set 1.1: A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 13 CYS SG : rot 168:sc= 0.372 USER MOD Single : A 16 GLN : amide:sc=-0.000526 X(o=-0.00053,f=-0.019) USER MOD Single : A 17 THR OG1 : rot -35:sc= -1.19 USER MOD Single : A 20 TYR OH : rot -173:sc= -0.913! USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot -169:sc= -0.736 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 42:sc= 0.895 USER MOD Single : A 39 CYS SG : rot 130:sc= -1.88 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -7.21 K(o=-7.2,f=-7.9!) USER MOD Single : A 53 SER OG : rot 180:sc= 0.00208 USER MOD Single : A 56 GLN : amide:sc= -1.48 K(o=-1.5,f=-5.8!) USER MOD Single : A 64 THR OG1 : rot -170:sc= -0.251 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.0411 K(o=-0.041,f=-0.59) 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 K(o=0,f=-0.67) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 98 TYR OH : rot 40:sc= -0.189! USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HE2:sc= 0.0316 K(o=0.032,f=-1.5) USER MOD Single : A 103 HIS : no HD1:sc= -0.459 X(o=-0.46,f=-0.034) USER MOD Single : A 104 SER OG : rot 94:sc= 0.0503 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N GLN A 6 -0.317 -1.001 -3.493 1.00 0.00 N ATOM 202 CA GLN A 6 -0.842 0.358 -3.537 1.00 0.00 C ATOM 203 C GLN A 6 -1.466 0.662 -4.896 1.00 0.00 C ATOM 204 O GLN A 6 -2.431 1.420 -4.993 1.00 0.00 O ATOM 205 CB GLN A 6 0.269 1.367 -3.237 1.00 0.00 C ATOM 206 CG GLN A 6 -0.202 2.572 -2.442 1.00 0.00 C ATOM 207 CD GLN A 6 -0.374 2.267 -0.966 1.00 0.00 C ATOM 208 OE1 GLN A 6 0.555 2.429 -0.175 1.00 0.00 O ATOM 209 NE2 GLN A 6 -1.566 1.820 -0.589 1.00 0.00 N ATOM 0 HA GLN A 6 -1.618 0.443 -2.776 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.064 0.866 -2.684 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.701 1.709 -4.177 1.00 0.00 H new ATOM 0 HG2 GLN A 6 0.516 3.384 -2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -1.150 2.923 -2.849 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -2.308 1.701 -1.279 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.740 1.596 0.391 1.00 0.00 H new ATOM 218 N GLU A 7 -0.904 0.070 -5.946 1.00 0.00 N ATOM 219 CA GLU A 7 -1.401 0.284 -7.301 1.00 0.00 C ATOM 220 C GLU A 7 -2.834 -0.217 -7.446 1.00 0.00 C ATOM 221 O GLU A 7 -3.692 0.478 -7.992 1.00 0.00 O ATOM 222 CB GLU A 7 -0.497 -0.420 -8.314 1.00 0.00 C ATOM 223 CG GLU A 7 0.600 0.471 -8.874 1.00 0.00 C ATOM 224 CD GLU A 7 1.514 -0.262 -9.836 1.00 0.00 C ATOM 225 OE1 GLU A 7 1.002 -0.846 -10.812 1.00 0.00 O ATOM 226 OE2 GLU A 7 2.743 -0.253 -9.611 1.00 0.00 O ATOM 0 H GLU A 7 -0.105 -0.561 -5.884 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.392 1.356 -7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -0.041 -1.289 -7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.108 -0.791 -9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 7 0.147 1.320 -9.385 1.00 0.00 H new ATOM 0 HG3 GLU A 7 1.192 0.873 -8.051 1.00 0.00 H new ATOM 233 N GLU A 8 -3.092 -1.424 -6.954 1.00 0.00 N ATOM 234 CA GLU A 8 -4.426 -2.010 -7.034 1.00 0.00 C ATOM 235 C GLU A 8 -5.411 -1.240 -6.162 1.00 0.00 C ATOM 236 O GLU A 8 -6.597 -1.148 -6.479 1.00 0.00 O ATOM 237 CB GLU A 8 -4.391 -3.483 -6.615 1.00 0.00 C ATOM 238 CG GLU A 8 -3.975 -3.695 -5.169 1.00 0.00 C ATOM 239 CD GLU A 8 -4.445 -5.026 -4.618 1.00 0.00 C ATOM 240 OE1 GLU A 8 -4.044 -6.073 -5.170 1.00 0.00 O ATOM 241 OE2 GLU A 8 -5.216 -5.024 -3.635 1.00 0.00 O ATOM 0 H GLU A 8 -2.397 -2.015 -6.497 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.760 -1.947 -8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.378 -3.919 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.701 -4.021 -7.265 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.889 -3.638 -5.095 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.379 -2.889 -4.556 1.00 0.00 H new ATOM 248 N LEU A 9 -4.913 -0.687 -5.060 1.00 0.00 N ATOM 249 CA LEU A 9 -5.750 0.075 -4.142 1.00 0.00 C ATOM 250 C LEU A 9 -6.226 1.371 -4.792 1.00 0.00 C ATOM 251 O LEU A 9 -7.403 1.724 -4.706 1.00 0.00 O ATOM 252 CB LEU A 9 -4.982 0.388 -2.858 1.00 0.00 C ATOM 253 CG LEU A 9 -5.844 0.502 -1.600 1.00 0.00 C ATOM 254 CD1 LEU A 9 -6.950 1.527 -1.800 1.00 0.00 C ATOM 255 CD2 LEU A 9 -6.431 -0.852 -1.233 1.00 0.00 C ATOM 0 H LEU A 9 -3.934 -0.753 -4.782 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.622 -0.531 -3.896 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.236 -0.391 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.441 1.324 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.211 0.837 -0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.552 1.594 -0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.509 2.500 -2.015 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -7.582 1.222 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.042 -0.753 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.049 -1.215 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.624 -1.560 -1.046 1.00 0.00 H new ATOM 267 N LEU A 10 -5.305 2.074 -5.441 1.00 0.00 N ATOM 268 CA LEU A 10 -5.629 3.330 -6.107 1.00 0.00 C ATOM 269 C LEU A 10 -6.628 3.102 -7.237 1.00 0.00 C ATOM 270 O LEU A 10 -7.490 3.942 -7.497 1.00 0.00 O ATOM 271 CB LEU A 10 -4.361 3.984 -6.656 1.00 0.00 C ATOM 272 CG LEU A 10 -3.524 4.741 -5.625 1.00 0.00 C ATOM 273 CD1 LEU A 10 -2.109 4.959 -6.141 1.00 0.00 C ATOM 274 CD2 LEU A 10 -4.179 6.071 -5.282 1.00 0.00 C ATOM 0 H LEU A 10 -4.327 1.795 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.082 3.996 -5.373 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.740 3.212 -7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.642 4.675 -7.451 1.00 0.00 H new ATOM 0 HG LEU A 10 -3.468 4.140 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.528 5.499 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.640 3.994 -6.337 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.143 5.539 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.570 6.597 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.264 6.678 -6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.172 5.892 -4.870 1.00 0.00 H new ATOM 286 N ARG A 11 -6.506 1.960 -7.904 1.00 0.00 N ATOM 287 CA ARG A 11 -7.398 1.617 -9.005 1.00 0.00 C ATOM 288 C ARG A 11 -8.825 1.415 -8.508 1.00 0.00 C ATOM 289 O ARG A 11 -9.786 1.801 -9.173 1.00 0.00 O ATOM 290 CB ARG A 11 -6.907 0.353 -9.713 1.00 0.00 C ATOM 291 CG ARG A 11 -5.587 0.537 -10.443 1.00 0.00 C ATOM 292 CD ARG A 11 -5.763 1.356 -11.712 1.00 0.00 C ATOM 293 NE ARG A 11 -4.685 1.118 -12.670 1.00 0.00 N ATOM 294 CZ ARG A 11 -4.395 1.938 -13.678 1.00 0.00 C ATOM 295 NH1 ARG A 11 -5.096 3.050 -13.862 1.00 0.00 N ATOM 296 NH2 ARG A 11 -3.398 1.646 -14.504 1.00 0.00 N ATOM 0 H ARG A 11 -5.797 1.255 -7.701 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.394 2.446 -9.713 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.798 -0.445 -8.979 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.665 0.029 -10.426 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.872 1.032 -9.786 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.169 -0.438 -10.693 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.719 1.109 -12.173 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.795 2.416 -11.458 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.122 0.275 -12.560 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.862 3.281 -13.229 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.869 3.674 -14.636 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.855 0.794 -14.366 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.175 2.274 -15.276 1.00 0.00 H new ATOM 310 N TRP A 12 -8.954 0.804 -7.335 1.00 0.00 N ATOM 311 CA TRP A 12 -10.264 0.546 -6.747 1.00 0.00 C ATOM 312 C TRP A 12 -10.962 1.849 -6.371 1.00 0.00 C ATOM 313 O TRP A 12 -12.133 2.052 -6.692 1.00 0.00 O ATOM 314 CB TRP A 12 -10.123 -0.346 -5.511 1.00 0.00 C ATOM 315 CG TRP A 12 -11.436 -0.693 -4.876 1.00 0.00 C ATOM 316 CD1 TRP A 12 -12.334 -1.627 -5.303 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.997 -0.106 -3.696 1.00 0.00 C ATOM 318 NE1 TRP A 12 -13.419 -1.658 -4.461 1.00 0.00 N ATOM 319 CE2 TRP A 12 -13.236 -0.734 -3.467 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.572 0.888 -2.811 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -14.053 -0.398 -2.391 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.383 1.220 -1.742 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.612 0.577 -1.540 1.00 0.00 C ATOM 0 H TRP A 12 -8.168 0.478 -6.773 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.873 0.033 -7.491 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -9.609 -1.265 -5.792 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -9.495 0.159 -4.777 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -12.210 -2.251 -6.176 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -14.229 -2.270 -4.560 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.626 1.388 -2.959 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -15.001 -0.890 -2.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.065 1.987 -1.051 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.223 0.857 -0.695 1.00 0.00 H new ATOM 334 N CYS A 13 -10.238 2.730 -5.688 1.00 0.00 N ATOM 335 CA CYS A 13 -10.792 4.013 -5.268 1.00 0.00 C ATOM 336 C CYS A 13 -11.166 4.869 -6.474 1.00 0.00 C ATOM 337 O CYS A 13 -12.244 5.460 -6.518 1.00 0.00 O ATOM 338 CB CYS A 13 -9.790 4.762 -4.387 1.00 0.00 C ATOM 339 SG CYS A 13 -10.491 6.186 -3.520 1.00 0.00 S ATOM 0 H CYS A 13 -9.267 2.579 -5.414 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.696 3.817 -4.692 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -9.379 4.069 -3.653 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.959 5.100 -5.006 1.00 0.00 H new ATOM 0 HG CYS A 13 -9.650 6.604 -2.621 1.00 0.00 H new ATOM 345 N GLN A 14 -10.268 4.929 -7.451 1.00 0.00 N ATOM 346 CA GLN A 14 -10.505 5.714 -8.658 1.00 0.00 C ATOM 347 C GLN A 14 -11.628 5.105 -9.492 1.00 0.00 C ATOM 348 O GLN A 14 -12.404 5.821 -10.123 1.00 0.00 O ATOM 349 CB GLN A 14 -9.224 5.811 -9.490 1.00 0.00 C ATOM 350 CG GLN A 14 -9.387 6.613 -10.771 1.00 0.00 C ATOM 351 CD GLN A 14 -8.624 6.013 -11.936 1.00 0.00 C ATOM 352 OE1 GLN A 14 -7.524 6.455 -12.265 1.00 0.00 O ATOM 353 NE2 GLN A 14 -9.208 5.000 -12.566 1.00 0.00 N ATOM 0 H GLN A 14 -9.371 4.445 -7.432 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.807 6.717 -8.356 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.441 6.267 -8.884 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.888 4.805 -9.742 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.445 6.672 -11.026 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.042 7.633 -10.603 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -10.121 4.666 -12.258 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.743 4.556 -13.358 1.00 0.00 H new ATOM 362 N GLU A 15 -11.712 3.778 -9.487 1.00 0.00 N ATOM 363 CA GLU A 15 -12.746 3.080 -10.242 1.00 0.00 C ATOM 364 C GLU A 15 -14.129 3.407 -9.687 1.00 0.00 C ATOM 365 O GLU A 15 -15.060 3.692 -10.439 1.00 0.00 O ATOM 366 CB GLU A 15 -12.509 1.569 -10.197 1.00 0.00 C ATOM 367 CG GLU A 15 -11.715 1.043 -11.381 1.00 0.00 C ATOM 368 CD GLU A 15 -11.022 -0.272 -11.078 1.00 0.00 C ATOM 369 OE1 GLU A 15 -9.871 -0.240 -10.594 1.00 0.00 O ATOM 370 OE2 GLU A 15 -11.630 -1.335 -11.328 1.00 0.00 O ATOM 0 H GLU A 15 -11.079 3.167 -8.971 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.698 3.415 -11.278 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.981 1.320 -9.276 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.472 1.059 -10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.383 0.910 -12.232 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.970 1.784 -11.673 1.00 0.00 H new ATOM 377 N GLN A 16 -14.252 3.365 -8.364 1.00 0.00 N ATOM 378 CA GLN A 16 -15.518 3.657 -7.703 1.00 0.00 C ATOM 379 C GLN A 16 -15.913 5.116 -7.908 1.00 0.00 C ATOM 380 O GLN A 16 -17.093 5.433 -8.070 1.00 0.00 O ATOM 381 CB GLN A 16 -15.422 3.349 -6.208 1.00 0.00 C ATOM 382 CG GLN A 16 -15.293 1.867 -5.899 1.00 0.00 C ATOM 383 CD GLN A 16 -16.638 1.191 -5.710 1.00 0.00 C ATOM 384 OE1 GLN A 16 -17.376 1.506 -4.776 1.00 0.00 O ATOM 385 NE2 GLN A 16 -16.962 0.259 -6.598 1.00 0.00 N ATOM 0 H GLN A 16 -13.489 3.131 -7.729 1.00 0.00 H new ATOM 0 HA GLN A 16 -16.286 3.024 -8.148 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.562 3.874 -5.792 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -16.308 3.740 -5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.755 1.376 -6.710 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.696 1.739 -4.996 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.319 0.031 -7.356 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -17.854 -0.229 -6.522 1.00 0.00 H new ATOM 394 N THR A 17 -14.921 5.999 -7.901 1.00 0.00 N ATOM 395 CA THR A 17 -15.164 7.426 -8.086 1.00 0.00 C ATOM 396 C THR A 17 -15.145 7.808 -9.568 1.00 0.00 C ATOM 397 O THR A 17 -15.192 8.989 -9.910 1.00 0.00 O ATOM 398 CB THR A 17 -14.122 8.245 -7.320 1.00 0.00 C ATOM 399 OG1 THR A 17 -14.507 9.605 -7.248 1.00 0.00 O ATOM 400 CG2 THR A 17 -12.740 8.192 -7.935 1.00 0.00 C ATOM 0 H THR A 17 -13.940 5.752 -7.769 1.00 0.00 H new ATOM 0 HA THR A 17 -16.156 7.649 -7.692 1.00 0.00 H new ATOM 0 HB THR A 17 -14.076 7.793 -6.329 1.00 0.00 H new ATOM 0 HG1 THR A 17 -14.959 9.861 -8.079 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.054 8.795 -7.340 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.391 7.160 -7.957 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.779 8.584 -8.952 1.00 0.00 H new ATOM 408 N ALA A 18 -15.074 6.806 -10.441 1.00 0.00 N ATOM 409 CA ALA A 18 -15.046 7.049 -11.878 1.00 0.00 C ATOM 410 C ALA A 18 -16.454 7.263 -12.425 1.00 0.00 C ATOM 411 O ALA A 18 -17.338 6.428 -12.233 1.00 0.00 O ATOM 412 CB ALA A 18 -14.369 5.891 -12.596 1.00 0.00 C ATOM 0 H ALA A 18 -15.035 5.821 -10.178 1.00 0.00 H new ATOM 0 HA ALA A 18 -14.472 7.958 -12.057 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -14.355 6.086 -13.668 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.347 5.786 -12.233 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -14.920 4.971 -12.402 1.00 0.00 H new ATOM 418 N GLY A 19 -16.655 8.387 -13.106 1.00 0.00 N ATOM 419 CA GLY A 19 -17.957 8.688 -13.670 1.00 0.00 C ATOM 420 C GLY A 19 -18.394 10.113 -13.395 1.00 0.00 C ATOM 421 O GLY A 19 -19.149 10.700 -14.171 1.00 0.00 O ATOM 0 H GLY A 19 -15.940 9.094 -13.277 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.930 8.521 -14.747 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -18.695 7.999 -13.259 1.00 0.00 H new ATOM 425 N TYR A 20 -17.918 10.674 -12.287 1.00 0.00 N ATOM 426 CA TYR A 20 -18.263 12.040 -11.914 1.00 0.00 C ATOM 427 C TYR A 20 -17.484 13.048 -12.760 1.00 0.00 C ATOM 428 O TYR A 20 -16.273 12.916 -12.931 1.00 0.00 O ATOM 429 CB TYR A 20 -17.977 12.275 -10.428 1.00 0.00 C ATOM 430 CG TYR A 20 -18.683 11.302 -9.510 1.00 0.00 C ATOM 431 CD1 TYR A 20 -18.178 10.025 -9.300 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.855 11.661 -8.854 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.821 9.134 -8.462 1.00 0.00 C ATOM 434 CE2 TYR A 20 -20.502 10.774 -8.015 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.981 9.513 -7.822 1.00 0.00 C ATOM 436 OH TYR A 20 -20.623 8.627 -6.987 1.00 0.00 O ATOM 0 H TYR A 20 -17.293 10.203 -11.633 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.328 12.182 -12.098 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.902 12.206 -10.259 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.276 13.290 -10.166 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.269 9.724 -9.799 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -20.266 12.649 -9.002 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -18.416 8.145 -8.309 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -21.412 11.068 -7.513 1.00 0.00 H new ATOM 0 HH TYR A 20 -21.481 9.007 -6.704 1.00 0.00 H new ATOM 446 N PRO A 21 -18.169 14.072 -13.302 1.00 0.00 N ATOM 447 CA PRO A 21 -17.527 15.096 -14.130 1.00 0.00 C ATOM 448 C PRO A 21 -16.699 16.075 -13.304 1.00 0.00 C ATOM 449 O PRO A 21 -17.241 16.968 -12.655 1.00 0.00 O ATOM 450 CB PRO A 21 -18.711 15.812 -14.780 1.00 0.00 C ATOM 451 CG PRO A 21 -19.826 15.651 -13.807 1.00 0.00 C ATOM 452 CD PRO A 21 -19.618 14.313 -13.152 1.00 0.00 C ATOM 0 HA PRO A 21 -16.825 14.665 -14.844 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -18.489 16.864 -14.958 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -18.960 15.371 -15.745 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -19.817 16.452 -13.068 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -20.792 15.692 -14.311 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -19.915 14.330 -12.103 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -20.206 13.534 -13.637 1.00 0.00 H new ATOM 460 N GLY A 22 -15.381 15.901 -13.336 1.00 0.00 N ATOM 461 CA GLY A 22 -14.500 16.776 -12.587 1.00 0.00 C ATOM 462 C GLY A 22 -13.850 16.072 -11.414 1.00 0.00 C ATOM 463 O GLY A 22 -13.444 16.713 -10.444 1.00 0.00 O ATOM 0 H GLY A 22 -14.909 15.170 -13.867 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.726 17.162 -13.250 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.066 17.634 -12.224 1.00 0.00 H new ATOM 467 N VAL A 23 -13.749 14.750 -11.502 1.00 0.00 N ATOM 468 CA VAL A 23 -13.141 13.962 -10.440 1.00 0.00 C ATOM 469 C VAL A 23 -12.088 13.010 -10.996 1.00 0.00 C ATOM 470 O VAL A 23 -12.383 12.156 -11.832 1.00 0.00 O ATOM 471 CB VAL A 23 -14.198 13.147 -9.669 1.00 0.00 C ATOM 472 CG1 VAL A 23 -13.581 12.503 -8.437 1.00 0.00 C ATOM 473 CG2 VAL A 23 -15.378 14.027 -9.288 1.00 0.00 C ATOM 0 H VAL A 23 -14.080 14.204 -12.297 1.00 0.00 H new ATOM 0 HA VAL A 23 -12.666 14.666 -9.756 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.564 12.353 -10.320 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -14.342 11.932 -7.905 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -12.773 11.837 -8.740 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -13.185 13.278 -7.781 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -16.114 13.434 -8.745 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -15.033 14.845 -8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.835 14.434 -10.190 1.00 0.00 H new ATOM 483 N HIS A 24 -10.859 13.166 -10.520 1.00 0.00 N ATOM 484 CA HIS A 24 -9.753 12.323 -10.959 1.00 0.00 C ATOM 485 C HIS A 24 -8.914 11.868 -9.770 1.00 0.00 C ATOM 486 O HIS A 24 -7.834 12.401 -9.519 1.00 0.00 O ATOM 487 CB HIS A 24 -8.875 13.078 -11.959 1.00 0.00 C ATOM 488 CG HIS A 24 -9.379 13.012 -13.368 1.00 0.00 C ATOM 489 ND1 HIS A 24 -9.940 14.092 -14.019 1.00 0.00 N ATOM 490 CD2 HIS A 24 -9.406 11.986 -14.253 1.00 0.00 C ATOM 491 CE1 HIS A 24 -10.289 13.733 -15.241 1.00 0.00 C ATOM 492 NE2 HIS A 24 -9.976 12.462 -15.408 1.00 0.00 N ATOM 0 H HIS A 24 -10.602 13.870 -9.828 1.00 0.00 H new ATOM 0 HA HIS A 24 -10.170 11.442 -11.446 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -8.808 14.122 -11.655 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.865 12.670 -11.924 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -9.047 10.982 -14.082 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -10.752 14.371 -15.979 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -10.132 11.920 -16.258 1.00 0.00 H new ATOM 501 N VAL A 25 -9.423 10.881 -9.039 1.00 0.00 N ATOM 502 CA VAL A 25 -8.724 10.356 -7.872 1.00 0.00 C ATOM 503 C VAL A 25 -7.545 9.480 -8.280 1.00 0.00 C ATOM 504 O VAL A 25 -7.725 8.366 -8.770 1.00 0.00 O ATOM 505 CB VAL A 25 -9.672 9.542 -6.969 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.950 9.069 -5.717 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.896 10.368 -6.605 1.00 0.00 C ATOM 0 H VAL A 25 -10.316 10.429 -9.234 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.353 11.215 -7.314 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.002 8.662 -7.521 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.638 8.497 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.107 8.439 -5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.587 9.932 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.556 9.779 -5.967 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.584 11.266 -6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.427 10.651 -7.514 1.00 0.00 H new ATOM 517 N SER A 26 -6.336 9.992 -8.072 1.00 0.00 N ATOM 518 CA SER A 26 -5.122 9.259 -8.411 1.00 0.00 C ATOM 519 C SER A 26 -3.942 9.737 -7.568 1.00 0.00 C ATOM 520 O SER A 26 -2.785 9.589 -7.961 1.00 0.00 O ATOM 521 CB SER A 26 -4.804 9.421 -9.899 1.00 0.00 C ATOM 522 OG SER A 26 -4.633 8.162 -10.525 1.00 0.00 O ATOM 0 H SER A 26 -6.171 10.914 -7.669 1.00 0.00 H new ATOM 0 HA SER A 26 -5.291 8.204 -8.196 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.610 9.967 -10.389 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.898 10.015 -10.018 1.00 0.00 H new ATOM 0 HG SER A 26 -4.433 8.294 -11.475 1.00 0.00 H new ATOM 528 N ASP A 27 -4.243 10.308 -6.403 1.00 0.00 N ATOM 529 CA ASP A 27 -3.208 10.803 -5.504 1.00 0.00 C ATOM 530 C ASP A 27 -3.536 10.449 -4.056 1.00 0.00 C ATOM 531 O ASP A 27 -4.700 10.260 -3.700 1.00 0.00 O ATOM 532 CB ASP A 27 -3.056 12.319 -5.647 1.00 0.00 C ATOM 533 CG ASP A 27 -2.730 12.733 -7.069 1.00 0.00 C ATOM 534 OD1 ASP A 27 -3.608 12.584 -7.947 1.00 0.00 O ATOM 535 OD2 ASP A 27 -1.600 13.208 -7.306 1.00 0.00 O ATOM 0 H ASP A 27 -5.195 10.438 -6.062 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.267 10.325 -5.776 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.979 12.806 -5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.268 12.667 -4.980 1.00 0.00 H new ATOM 540 N LEU A 28 -2.506 10.352 -3.223 1.00 0.00 N ATOM 541 CA LEU A 28 -2.694 10.014 -1.818 1.00 0.00 C ATOM 542 C LEU A 28 -2.697 11.268 -0.949 1.00 0.00 C ATOM 543 O LEU A 28 -2.177 11.261 0.167 1.00 0.00 O ATOM 544 CB LEU A 28 -1.594 9.059 -1.350 1.00 0.00 C ATOM 545 CG LEU A 28 -1.532 7.722 -2.093 1.00 0.00 C ATOM 546 CD1 LEU A 28 -2.894 7.043 -2.086 1.00 0.00 C ATOM 547 CD2 LEU A 28 -1.045 7.928 -3.520 1.00 0.00 C ATOM 0 H LEU A 28 -1.535 10.502 -3.496 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.662 9.523 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.631 9.560 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.736 8.860 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.823 7.074 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.830 6.094 -2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.205 6.861 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.624 7.687 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.007 6.967 -4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.730 8.594 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.049 8.371 -3.504 1.00 0.00 H new ATOM 559 N SER A 29 -3.291 12.343 -1.462 1.00 0.00 N ATOM 560 CA SER A 29 -3.359 13.598 -0.721 1.00 0.00 C ATOM 561 C SER A 29 -4.179 14.647 -1.474 1.00 0.00 C ATOM 562 O SER A 29 -5.350 14.867 -1.168 1.00 0.00 O ATOM 563 CB SER A 29 -1.950 14.131 -0.452 1.00 0.00 C ATOM 564 OG SER A 29 -1.984 15.492 -0.057 1.00 0.00 O ATOM 0 H SER A 29 -3.730 12.370 -2.383 1.00 0.00 H new ATOM 0 HA SER A 29 -3.856 13.398 0.228 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.475 13.535 0.328 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.341 14.025 -1.350 1.00 0.00 H new ATOM 0 HG SER A 29 -1.074 15.856 -0.060 1.00 0.00 H new ATOM 570 N SER A 30 -3.554 15.295 -2.451 1.00 0.00 N ATOM 571 CA SER A 30 -4.222 16.327 -3.240 1.00 0.00 C ATOM 572 C SER A 30 -5.499 15.798 -3.890 1.00 0.00 C ATOM 573 O SER A 30 -6.404 16.566 -4.211 1.00 0.00 O ATOM 574 CB SER A 30 -3.277 16.865 -4.316 1.00 0.00 C ATOM 575 OG SER A 30 -2.049 17.291 -3.752 1.00 0.00 O ATOM 0 H SER A 30 -2.584 15.124 -2.717 1.00 0.00 H new ATOM 0 HA SER A 30 -4.497 17.135 -2.562 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.090 16.090 -5.060 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.750 17.698 -4.836 1.00 0.00 H new ATOM 0 HG SER A 30 -1.463 17.629 -4.461 1.00 0.00 H new ATOM 581 N SER A 31 -5.564 14.485 -4.083 1.00 0.00 N ATOM 582 CA SER A 31 -6.732 13.864 -4.698 1.00 0.00 C ATOM 583 C SER A 31 -7.957 13.983 -3.796 1.00 0.00 C ATOM 584 O SER A 31 -9.087 14.064 -4.275 1.00 0.00 O ATOM 585 CB SER A 31 -6.448 12.393 -5.007 1.00 0.00 C ATOM 586 OG SER A 31 -6.205 12.199 -6.388 1.00 0.00 O ATOM 0 H SER A 31 -4.825 13.832 -3.824 1.00 0.00 H new ATOM 0 HA SER A 31 -6.943 14.390 -5.629 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.585 12.058 -4.432 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.295 11.783 -4.695 1.00 0.00 H new ATOM 0 HG SER A 31 -5.638 12.924 -6.725 1.00 0.00 H new ATOM 592 N TRP A 32 -7.725 13.991 -2.487 1.00 0.00 N ATOM 593 CA TRP A 32 -8.813 14.099 -1.520 1.00 0.00 C ATOM 594 C TRP A 32 -8.900 15.509 -0.940 1.00 0.00 C ATOM 595 O TRP A 32 -9.478 15.715 0.127 1.00 0.00 O ATOM 596 CB TRP A 32 -8.619 13.084 -0.390 1.00 0.00 C ATOM 597 CG TRP A 32 -8.377 11.688 -0.879 1.00 0.00 C ATOM 598 CD1 TRP A 32 -7.387 11.277 -1.725 1.00 0.00 C ATOM 599 CD2 TRP A 32 -9.137 10.520 -0.551 1.00 0.00 C ATOM 600 NE1 TRP A 32 -7.487 9.924 -1.944 1.00 0.00 N ATOM 601 CE2 TRP A 32 -8.553 9.437 -1.233 1.00 0.00 C ATOM 602 CE3 TRP A 32 -10.255 10.286 0.255 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -9.050 8.139 -1.134 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -10.747 8.997 0.352 1.00 0.00 C ATOM 605 CH2 TRP A 32 -10.144 7.939 -0.338 1.00 0.00 C ATOM 0 H TRP A 32 -6.796 13.924 -2.072 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.746 13.886 -2.041 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.777 13.396 0.228 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -9.502 13.089 0.249 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.636 11.921 -2.158 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -6.869 9.372 -2.539 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.726 11.096 0.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -8.588 7.321 -1.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -11.611 8.804 0.971 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -10.551 6.944 -0.240 1.00 0.00 H new ATOM 616 N ALA A 33 -8.321 16.478 -1.647 1.00 0.00 N ATOM 617 CA ALA A 33 -8.336 17.864 -1.195 1.00 0.00 C ATOM 618 C ALA A 33 -9.763 18.363 -0.986 1.00 0.00 C ATOM 619 O ALA A 33 -10.118 18.815 0.103 1.00 0.00 O ATOM 620 CB ALA A 33 -7.604 18.751 -2.192 1.00 0.00 C ATOM 0 H ALA A 33 -7.837 16.327 -2.532 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.822 17.911 -0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.623 19.783 -1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.570 18.418 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.094 18.688 -3.163 1.00 0.00 H new ATOM 626 N ASP A 34 -10.577 18.280 -2.034 1.00 0.00 N ATOM 627 CA ASP A 34 -11.964 18.726 -1.958 1.00 0.00 C ATOM 628 C ASP A 34 -12.866 17.648 -1.353 1.00 0.00 C ATOM 629 O ASP A 34 -14.075 17.841 -1.234 1.00 0.00 O ATOM 630 CB ASP A 34 -12.474 19.113 -3.348 1.00 0.00 C ATOM 631 CG ASP A 34 -12.248 18.020 -4.375 1.00 0.00 C ATOM 632 OD1 ASP A 34 -11.922 16.884 -3.971 1.00 0.00 O ATOM 633 OD2 ASP A 34 -12.395 18.299 -5.582 1.00 0.00 O ATOM 0 H ASP A 34 -10.301 17.909 -2.943 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.996 19.599 -1.306 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.539 19.339 -3.291 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.972 20.024 -3.675 1.00 0.00 H new ATOM 638 N GLY A 35 -12.276 16.516 -0.974 1.00 0.00 N ATOM 639 CA GLY A 35 -13.052 15.438 -0.387 1.00 0.00 C ATOM 640 C GLY A 35 -13.998 14.792 -1.383 1.00 0.00 C ATOM 641 O GLY A 35 -15.041 14.260 -1.003 1.00 0.00 O ATOM 0 H GLY A 35 -11.278 16.327 -1.063 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.375 14.681 0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.625 15.825 0.455 1.00 0.00 H new ATOM 645 N LEU A 36 -13.632 14.839 -2.660 1.00 0.00 N ATOM 646 CA LEU A 36 -14.457 14.255 -3.711 1.00 0.00 C ATOM 647 C LEU A 36 -14.349 12.733 -3.706 1.00 0.00 C ATOM 648 O LEU A 36 -15.323 12.031 -3.984 1.00 0.00 O ATOM 649 CB LEU A 36 -14.042 14.805 -5.078 1.00 0.00 C ATOM 650 CG LEU A 36 -14.979 15.869 -5.656 1.00 0.00 C ATOM 651 CD1 LEU A 36 -14.462 16.364 -6.999 1.00 0.00 C ATOM 652 CD2 LEU A 36 -16.389 15.313 -5.796 1.00 0.00 C ATOM 0 H LEU A 36 -12.771 15.275 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 36 -15.495 14.527 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.042 15.230 -4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.978 13.976 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 36 -15.008 16.715 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -15.141 17.120 -7.394 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.471 16.799 -6.869 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.403 15.529 -7.697 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -17.044 16.081 -6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -16.376 14.451 -6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.759 15.008 -4.817 1.00 0.00 H new ATOM 664 N ALA A 37 -13.162 12.226 -3.390 1.00 0.00 N ATOM 665 CA ALA A 37 -12.931 10.788 -3.351 1.00 0.00 C ATOM 666 C ALA A 37 -13.811 10.120 -2.300 1.00 0.00 C ATOM 667 O ALA A 37 -14.449 9.100 -2.568 1.00 0.00 O ATOM 668 CB ALA A 37 -11.464 10.496 -3.075 1.00 0.00 C ATOM 0 H ALA A 37 -12.345 12.791 -3.157 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.195 10.376 -4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.306 9.418 -3.049 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.851 10.933 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.182 10.928 -2.115 1.00 0.00 H new ATOM 674 N LEU A 38 -13.842 10.699 -1.105 1.00 0.00 N ATOM 675 CA LEU A 38 -14.645 10.158 -0.014 1.00 0.00 C ATOM 676 C LEU A 38 -16.133 10.274 -0.326 1.00 0.00 C ATOM 677 O LEU A 38 -16.899 9.336 -0.106 1.00 0.00 O ATOM 678 CB LEU A 38 -14.326 10.887 1.293 1.00 0.00 C ATOM 679 CG LEU A 38 -14.355 10.011 2.546 1.00 0.00 C ATOM 680 CD1 LEU A 38 -13.690 10.725 3.712 1.00 0.00 C ATOM 681 CD2 LEU A 38 -15.785 9.630 2.897 1.00 0.00 C ATOM 0 H LEU A 38 -13.321 11.543 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.397 9.103 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.338 11.339 1.207 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.039 11.701 1.421 1.00 0.00 H new ATOM 0 HG LEU A 38 -13.797 9.098 2.340 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -13.720 10.086 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -12.653 10.946 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.219 11.655 3.919 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.786 9.007 3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.367 10.533 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -16.228 9.077 2.069 1.00 0.00 H new ATOM 693 N CYS A 39 -16.536 11.431 -0.841 1.00 0.00 N ATOM 694 CA CYS A 39 -17.933 11.667 -1.184 1.00 0.00 C ATOM 695 C CYS A 39 -18.361 10.784 -2.353 1.00 0.00 C ATOM 696 O CYS A 39 -19.493 10.301 -2.396 1.00 0.00 O ATOM 697 CB CYS A 39 -18.150 13.143 -1.532 1.00 0.00 C ATOM 698 SG CYS A 39 -19.450 13.941 -0.562 1.00 0.00 S ATOM 0 H CYS A 39 -15.916 12.218 -1.030 1.00 0.00 H new ATOM 0 HA CYS A 39 -18.545 11.412 -0.319 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -17.215 13.683 -1.382 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -18.398 13.224 -2.590 1.00 0.00 H new ATOM 0 HG CYS A 39 -18.998 15.053 -0.063 1.00 0.00 H new ATOM 704 N ALA A 40 -17.448 10.574 -3.296 1.00 0.00 N ATOM 705 CA ALA A 40 -17.730 9.747 -4.462 1.00 0.00 C ATOM 706 C ALA A 40 -18.100 8.327 -4.050 1.00 0.00 C ATOM 707 O ALA A 40 -19.098 7.775 -4.512 1.00 0.00 O ATOM 708 CB ALA A 40 -16.532 9.731 -5.399 1.00 0.00 C ATOM 0 H ALA A 40 -16.506 10.966 -3.275 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.582 10.179 -4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.756 9.109 -6.266 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.314 10.747 -5.728 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.666 9.325 -4.876 1.00 0.00 H new ATOM 714 N LEU A 41 -17.289 7.740 -3.175 1.00 0.00 N ATOM 715 CA LEU A 41 -17.531 6.382 -2.699 1.00 0.00 C ATOM 716 C LEU A 41 -18.871 6.292 -1.975 1.00 0.00 C ATOM 717 O LEU A 41 -19.666 5.387 -2.227 1.00 0.00 O ATOM 718 CB LEU A 41 -16.404 5.939 -1.764 1.00 0.00 C ATOM 719 CG LEU A 41 -15.004 5.962 -2.378 1.00 0.00 C ATOM 720 CD1 LEU A 41 -13.962 6.298 -1.323 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.688 4.625 -3.034 1.00 0.00 C ATOM 0 H LEU A 41 -16.459 8.183 -2.781 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.559 5.719 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.409 6.583 -0.885 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.616 4.927 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.978 6.737 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.972 6.309 -1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.177 7.279 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.988 5.547 -0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.688 4.659 -3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.734 3.833 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.416 4.424 -3.820 1.00 0.00 H new ATOM 733 N VAL A 42 -19.116 7.239 -1.074 1.00 0.00 N ATOM 734 CA VAL A 42 -20.359 7.269 -0.314 1.00 0.00 C ATOM 735 C VAL A 42 -21.566 7.340 -1.243 1.00 0.00 C ATOM 736 O VAL A 42 -22.572 6.668 -1.021 1.00 0.00 O ATOM 737 CB VAL A 42 -20.400 8.464 0.656 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.623 8.382 1.556 1.00 0.00 C ATOM 739 CG2 VAL A 42 -19.124 8.527 1.485 1.00 0.00 C ATOM 0 H VAL A 42 -18.469 7.996 -0.853 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.399 6.345 0.263 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.470 9.379 0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.634 9.235 2.234 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.526 8.393 0.945 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.588 7.459 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -19.173 9.378 2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -19.019 7.608 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.265 8.640 0.823 1.00 0.00 H new ATOM 749 N TYR A 43 -21.458 8.155 -2.287 1.00 0.00 N ATOM 750 CA TYR A 43 -22.538 8.311 -3.252 1.00 0.00 C ATOM 751 C TYR A 43 -22.843 6.985 -3.943 1.00 0.00 C ATOM 752 O TYR A 43 -24.000 6.669 -4.216 1.00 0.00 O ATOM 753 CB TYR A 43 -22.177 9.369 -4.294 1.00 0.00 C ATOM 754 CG TYR A 43 -23.325 9.743 -5.203 1.00 0.00 C ATOM 755 CD1 TYR A 43 -24.229 10.735 -4.841 1.00 0.00 C ATOM 756 CD2 TYR A 43 -23.508 9.105 -6.423 1.00 0.00 C ATOM 757 CE1 TYR A 43 -25.281 11.081 -5.668 1.00 0.00 C ATOM 758 CE2 TYR A 43 -24.557 9.446 -7.256 1.00 0.00 C ATOM 759 CZ TYR A 43 -25.440 10.433 -6.875 1.00 0.00 C ATOM 760 OH TYR A 43 -26.485 10.774 -7.702 1.00 0.00 O ATOM 0 H TYR A 43 -20.631 8.718 -2.486 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.427 8.635 -2.712 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.824 10.264 -3.782 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -21.350 9.001 -4.901 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -24.107 11.245 -3.897 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -22.820 8.330 -6.726 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -25.974 11.854 -5.371 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -24.684 8.941 -8.202 1.00 0.00 H new ATOM 0 HH TYR A 43 -26.453 10.224 -8.513 1.00 0.00 H new ATOM 770 N ARG A 44 -21.798 6.215 -4.225 1.00 0.00 N ATOM 771 CA ARG A 44 -21.954 4.925 -4.885 1.00 0.00 C ATOM 772 C ARG A 44 -22.767 3.968 -4.020 1.00 0.00 C ATOM 773 O ARG A 44 -23.608 3.223 -4.524 1.00 0.00 O ATOM 774 CB ARG A 44 -20.582 4.320 -5.195 1.00 0.00 C ATOM 775 CG ARG A 44 -20.357 4.046 -6.672 1.00 0.00 C ATOM 776 CD ARG A 44 -21.415 3.110 -7.236 1.00 0.00 C ATOM 777 NE ARG A 44 -20.892 1.763 -7.460 1.00 0.00 N ATOM 778 CZ ARG A 44 -20.869 0.809 -6.530 1.00 0.00 C ATOM 779 NH1 ARG A 44 -21.347 1.041 -5.313 1.00 0.00 N ATOM 780 NH2 ARG A 44 -20.366 -0.382 -6.820 1.00 0.00 N ATOM 0 H ARG A 44 -20.833 6.462 -4.006 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.491 5.082 -5.820 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -19.807 4.997 -4.838 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.472 3.388 -4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -20.371 4.986 -7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -19.369 3.608 -6.815 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -22.259 3.061 -6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -21.792 3.513 -8.176 1.00 0.00 H new ATOM 0 HE ARG A 44 -20.522 1.540 -8.384 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -21.736 1.956 -5.084 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -21.325 0.305 -4.608 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -19.998 -0.567 -7.753 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -20.347 -1.114 -6.110 1.00 0.00 H new ATOM 794 N LEU A 45 -22.514 3.993 -2.715 1.00 0.00 N ATOM 795 CA LEU A 45 -23.227 3.127 -1.781 1.00 0.00 C ATOM 796 C LEU A 45 -24.551 3.754 -1.356 1.00 0.00 C ATOM 797 O LEU A 45 -25.526 3.051 -1.090 1.00 0.00 O ATOM 798 CB LEU A 45 -22.362 2.848 -0.552 1.00 0.00 C ATOM 799 CG LEU A 45 -21.344 1.719 -0.717 1.00 0.00 C ATOM 800 CD1 LEU A 45 -22.049 0.373 -0.790 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.492 1.945 -1.958 1.00 0.00 C ATOM 0 H LEU A 45 -21.821 4.603 -2.280 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.440 2.186 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.829 3.761 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -23.016 2.607 0.286 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.688 1.717 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -21.310 -0.419 -0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.615 0.208 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.729 0.364 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.773 1.132 -2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -21.133 1.974 -2.839 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -19.959 2.891 -1.866 1.00 0.00 H new ATOM 813 N GLN A 46 -24.577 5.081 -1.295 1.00 0.00 N ATOM 814 CA GLN A 46 -25.779 5.807 -0.901 1.00 0.00 C ATOM 815 C GLN A 46 -25.950 7.070 -1.743 1.00 0.00 C ATOM 816 O GLN A 46 -25.790 8.184 -1.247 1.00 0.00 O ATOM 817 CB GLN A 46 -25.716 6.172 0.584 1.00 0.00 C ATOM 818 CG GLN A 46 -24.417 6.846 0.991 1.00 0.00 C ATOM 819 CD GLN A 46 -24.477 7.438 2.385 1.00 0.00 C ATOM 820 OE1 GLN A 46 -23.640 7.136 3.236 1.00 0.00 O ATOM 821 NE2 GLN A 46 -25.471 8.286 2.627 1.00 0.00 N ATOM 0 H GLN A 46 -23.778 5.676 -1.514 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.639 5.159 -1.071 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -26.549 6.834 0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -25.848 5.267 1.178 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -23.605 6.120 0.944 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -24.182 7.634 0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -26.142 8.508 1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -25.563 8.715 3.548 1.00 0.00 H new ATOM 830 N PRO A 47 -26.281 6.909 -3.036 1.00 0.00 N ATOM 831 CA PRO A 47 -26.475 8.041 -3.947 1.00 0.00 C ATOM 832 C PRO A 47 -27.722 8.848 -3.609 1.00 0.00 C ATOM 833 O PRO A 47 -27.797 10.043 -3.893 1.00 0.00 O ATOM 834 CB PRO A 47 -26.622 7.376 -5.318 1.00 0.00 C ATOM 835 CG PRO A 47 -27.116 6.003 -5.022 1.00 0.00 C ATOM 836 CD PRO A 47 -26.495 5.614 -3.709 1.00 0.00 C ATOM 0 HA PRO A 47 -25.652 8.753 -3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -27.323 7.921 -5.949 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.670 7.348 -5.849 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -28.204 5.985 -4.960 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -26.830 5.307 -5.810 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.152 4.964 -3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.558 5.075 -3.851 1.00 0.00 H new ATOM 844 N GLY A 48 -28.700 8.187 -2.997 1.00 0.00 N ATOM 845 CA GLY A 48 -29.931 8.858 -2.628 1.00 0.00 C ATOM 846 C GLY A 48 -29.809 9.633 -1.328 1.00 0.00 C ATOM 847 O GLY A 48 -30.748 10.320 -0.922 1.00 0.00 O ATOM 0 H GLY A 48 -28.661 7.198 -2.750 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -30.222 9.540 -3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.728 8.120 -2.533 1.00 0.00 H new ATOM 851 N LEU A 49 -28.658 9.525 -0.670 1.00 0.00 N ATOM 852 CA LEU A 49 -28.432 10.226 0.589 1.00 0.00 C ATOM 853 C LEU A 49 -27.070 10.912 0.601 1.00 0.00 C ATOM 854 O LEU A 49 -26.415 10.994 1.641 1.00 0.00 O ATOM 855 CB LEU A 49 -28.538 9.251 1.763 1.00 0.00 C ATOM 856 CG LEU A 49 -29.949 9.067 2.325 1.00 0.00 C ATOM 857 CD1 LEU A 49 -29.965 7.971 3.378 1.00 0.00 C ATOM 858 CD2 LEU A 49 -30.467 10.375 2.904 1.00 0.00 C ATOM 0 H LEU A 49 -27.870 8.960 -0.987 1.00 0.00 H new ATOM 0 HA LEU A 49 -29.200 10.993 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -28.161 8.279 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -27.886 9.599 2.565 1.00 0.00 H new ATOM 0 HG LEU A 49 -30.608 8.768 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -30.977 7.854 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -29.637 7.032 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -29.292 8.239 4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -31.472 10.225 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -29.807 10.704 3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -30.494 11.134 2.122 1.00 0.00 H new ATOM 870 N LEU A 50 -26.647 11.407 -0.558 1.00 0.00 N ATOM 871 CA LEU A 50 -25.360 12.087 -0.672 1.00 0.00 C ATOM 872 C LEU A 50 -25.397 13.155 -1.761 1.00 0.00 C ATOM 873 O LEU A 50 -26.252 13.126 -2.646 1.00 0.00 O ATOM 874 CB LEU A 50 -24.250 11.074 -0.967 1.00 0.00 C ATOM 875 CG LEU A 50 -23.123 11.032 0.064 1.00 0.00 C ATOM 876 CD1 LEU A 50 -22.305 12.314 0.012 1.00 0.00 C ATOM 877 CD2 LEU A 50 -23.686 10.812 1.459 1.00 0.00 C ATOM 0 H LEU A 50 -27.174 11.351 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.152 12.578 0.279 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.694 10.081 -1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -23.821 11.302 -1.943 1.00 0.00 H new ATOM 0 HG LEU A 50 -22.466 10.196 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -21.507 12.267 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -21.872 12.429 -0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -22.950 13.166 0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -22.870 10.785 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -24.365 11.627 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -24.228 9.866 1.488 1.00 0.00 H new ATOM 889 N GLU A 51 -24.458 14.095 -1.688 1.00 0.00 N ATOM 890 CA GLU A 51 -24.373 15.175 -2.663 1.00 0.00 C ATOM 891 C GLU A 51 -22.913 15.522 -2.954 1.00 0.00 C ATOM 892 O GLU A 51 -22.455 16.626 -2.660 1.00 0.00 O ATOM 893 CB GLU A 51 -25.113 16.413 -2.153 1.00 0.00 C ATOM 894 CG GLU A 51 -26.619 16.230 -2.063 1.00 0.00 C ATOM 895 CD GLU A 51 -27.352 16.835 -3.246 1.00 0.00 C ATOM 896 OE1 GLU A 51 -26.856 16.697 -4.385 1.00 0.00 O ATOM 897 OE2 GLU A 51 -28.419 17.446 -3.035 1.00 0.00 O ATOM 0 H GLU A 51 -23.744 14.129 -0.961 1.00 0.00 H new ATOM 0 HA GLU A 51 -24.843 14.839 -3.587 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -24.728 16.675 -1.168 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -24.897 17.253 -2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -26.849 15.166 -2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -26.982 16.687 -1.143 1.00 0.00 H new ATOM 904 N PRO A 52 -22.158 14.574 -3.539 1.00 0.00 N ATOM 905 CA PRO A 52 -20.744 14.777 -3.869 1.00 0.00 C ATOM 906 C PRO A 52 -20.520 16.002 -4.744 1.00 0.00 C ATOM 907 O PRO A 52 -19.527 16.714 -4.592 1.00 0.00 O ATOM 908 CB PRO A 52 -20.351 13.498 -4.624 1.00 0.00 C ATOM 909 CG PRO A 52 -21.642 12.848 -4.997 1.00 0.00 C ATOM 910 CD PRO A 52 -22.620 13.235 -3.928 1.00 0.00 C ATOM 0 HA PRO A 52 -20.147 14.954 -2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.758 13.730 -5.508 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.747 12.842 -3.998 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.980 13.185 -5.977 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.532 11.765 -5.053 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.644 13.252 -4.302 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.599 12.540 -3.089 1.00 0.00 H new ATOM 918 N SER A 53 -21.449 16.249 -5.661 1.00 0.00 N ATOM 919 CA SER A 53 -21.350 17.392 -6.556 1.00 0.00 C ATOM 920 C SER A 53 -21.326 18.695 -5.766 1.00 0.00 C ATOM 921 O SER A 53 -20.580 19.618 -6.091 1.00 0.00 O ATOM 922 CB SER A 53 -22.516 17.401 -7.543 1.00 0.00 C ATOM 923 OG SER A 53 -23.752 17.204 -6.875 1.00 0.00 O ATOM 0 H SER A 53 -22.278 15.672 -5.803 1.00 0.00 H new ATOM 0 HA SER A 53 -20.417 17.306 -7.113 1.00 0.00 H new ATOM 0 HB2 SER A 53 -22.536 18.350 -8.079 1.00 0.00 H new ATOM 0 HB3 SER A 53 -22.372 16.618 -8.287 1.00 0.00 H new ATOM 0 HG SER A 53 -24.482 17.216 -7.528 1.00 0.00 H new ATOM 929 N GLU A 54 -22.147 18.758 -4.725 1.00 0.00 N ATOM 930 CA GLU A 54 -22.223 19.944 -3.881 1.00 0.00 C ATOM 931 C GLU A 54 -20.968 20.087 -3.022 1.00 0.00 C ATOM 932 O GLU A 54 -20.352 21.152 -2.980 1.00 0.00 O ATOM 933 CB GLU A 54 -23.467 19.883 -2.991 1.00 0.00 C ATOM 934 CG GLU A 54 -24.427 21.041 -3.206 1.00 0.00 C ATOM 935 CD GLU A 54 -25.724 20.873 -2.440 1.00 0.00 C ATOM 936 OE1 GLU A 54 -26.315 19.774 -2.507 1.00 0.00 O ATOM 937 OE2 GLU A 54 -26.150 21.839 -1.774 1.00 0.00 O ATOM 0 H GLU A 54 -22.770 18.001 -4.445 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.293 20.817 -4.530 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.992 18.947 -3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.156 19.869 -1.946 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.945 21.969 -2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.647 21.133 -4.270 1.00 0.00 H new ATOM 944 N LEU A 55 -20.599 19.009 -2.336 1.00 0.00 N ATOM 945 CA LEU A 55 -19.421 19.015 -1.473 1.00 0.00 C ATOM 946 C LEU A 55 -18.137 19.165 -2.285 1.00 0.00 C ATOM 947 O LEU A 55 -17.067 19.420 -1.732 1.00 0.00 O ATOM 948 CB LEU A 55 -19.365 17.728 -0.647 1.00 0.00 C ATOM 949 CG LEU A 55 -20.333 17.670 0.536 1.00 0.00 C ATOM 950 CD1 LEU A 55 -20.196 18.912 1.403 1.00 0.00 C ATOM 951 CD2 LEU A 55 -21.766 17.514 0.047 1.00 0.00 C ATOM 0 H LEU A 55 -21.098 18.120 -2.361 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.502 19.872 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.570 16.884 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.350 17.600 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 55 -20.080 16.800 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -20.893 18.851 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -19.177 18.979 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.420 19.798 0.808 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -22.440 17.475 0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -22.030 18.363 -0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -21.856 16.593 -0.528 1.00 0.00 H new ATOM 963 N GLN A 56 -18.248 18.994 -3.596 1.00 0.00 N ATOM 964 CA GLN A 56 -17.100 19.099 -4.485 1.00 0.00 C ATOM 965 C GLN A 56 -16.507 20.504 -4.480 1.00 0.00 C ATOM 966 O GLN A 56 -15.289 20.673 -4.509 1.00 0.00 O ATOM 967 CB GLN A 56 -17.514 18.717 -5.905 1.00 0.00 C ATOM 968 CG GLN A 56 -16.380 18.788 -6.914 1.00 0.00 C ATOM 969 CD GLN A 56 -16.281 20.145 -7.585 1.00 0.00 C ATOM 970 OE1 GLN A 56 -16.957 21.096 -7.191 1.00 0.00 O ATOM 971 NE2 GLN A 56 -15.436 20.241 -8.604 1.00 0.00 N ATOM 0 H GLN A 56 -19.127 18.781 -4.068 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.333 18.414 -4.124 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -17.917 17.704 -5.896 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.318 19.377 -6.229 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.438 18.565 -6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -16.526 18.021 -7.674 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -14.896 19.427 -8.897 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -15.327 21.129 -9.094 1.00 0.00 H new ATOM 980 N GLY A 57 -17.373 21.508 -4.452 1.00 0.00 N ATOM 981 CA GLY A 57 -16.908 22.884 -4.454 1.00 0.00 C ATOM 982 C GLY A 57 -17.241 23.624 -3.172 1.00 0.00 C ATOM 983 O GLY A 57 -16.695 24.695 -2.911 1.00 0.00 O ATOM 0 H GLY A 57 -18.387 21.397 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.829 22.897 -4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -17.354 23.411 -5.298 1.00 0.00 H new ATOM 987 N LEU A 58 -18.139 23.057 -2.371 1.00 0.00 N ATOM 988 CA LEU A 58 -18.535 23.681 -1.114 1.00 0.00 C ATOM 989 C LEU A 58 -17.321 23.931 -0.225 1.00 0.00 C ATOM 990 O LEU A 58 -17.319 24.854 0.591 1.00 0.00 O ATOM 991 CB LEU A 58 -19.550 22.805 -0.381 1.00 0.00 C ATOM 992 CG LEU A 58 -21.014 23.077 -0.738 1.00 0.00 C ATOM 993 CD1 LEU A 58 -21.807 21.778 -0.778 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.629 24.051 0.253 1.00 0.00 C ATOM 0 H LEU A 58 -18.604 22.171 -2.569 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.997 24.641 -1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.327 21.760 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.421 22.945 0.692 1.00 0.00 H new ATOM 0 HG LEU A 58 -21.049 23.527 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.845 21.993 -1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.379 21.113 -1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -21.766 21.296 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.670 24.234 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.581 23.628 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -21.078 24.991 0.229 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.290 23.108 -0.387 1.00 0.00 N ATOM 1007 CA GLY A 59 -15.088 23.267 0.411 1.00 0.00 C ATOM 1008 C GLY A 59 -14.378 21.953 0.664 1.00 0.00 C ATOM 1009 O GLY A 59 -14.959 20.882 0.499 1.00 0.00 O ATOM 0 H GLY A 59 -16.265 22.337 -1.054 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.408 23.951 -0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.348 23.725 1.365 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.114 22.037 1.070 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.320 20.848 1.350 1.00 0.00 C ATOM 1015 C ALA A 60 -12.745 20.204 2.663 1.00 0.00 C ATOM 1016 O ALA A 60 -13.278 19.093 2.680 1.00 0.00 O ATOM 1017 CB ALA A 60 -10.840 21.201 1.387 1.00 0.00 C ATOM 0 H ALA A 60 -12.619 22.917 1.212 1.00 0.00 H new ATOM 0 HA ALA A 60 -12.491 20.128 0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.257 20.304 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.540 21.611 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.662 21.941 2.168 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.507 20.907 3.767 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.866 20.403 5.087 1.00 0.00 C ATOM 1025 C LEU A 61 -14.365 20.141 5.181 1.00 0.00 C ATOM 1026 O LEU A 61 -14.798 19.172 5.806 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.441 21.401 6.168 1.00 0.00 C ATOM 1028 CG LEU A 61 -11.026 21.203 6.712 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -10.034 22.061 5.942 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -10.973 21.530 8.196 1.00 0.00 C ATOM 0 H LEU A 61 -12.067 21.827 3.773 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.342 19.461 5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -12.520 22.409 5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.145 21.336 6.998 1.00 0.00 H new ATOM 0 HG LEU A 61 -10.751 20.156 6.581 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.032 21.907 6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.051 21.780 4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.307 23.111 6.042 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -9.958 21.383 8.565 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -11.269 22.568 8.351 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -11.654 20.874 8.738 1.00 0.00 H new ATOM 1042 N GLU A 62 -15.154 21.009 4.556 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.604 20.870 4.569 1.00 0.00 C ATOM 1044 C GLU A 62 -17.032 19.564 3.907 1.00 0.00 C ATOM 1045 O GLU A 62 -17.894 18.850 4.418 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.257 22.055 3.854 1.00 0.00 C ATOM 1047 CG GLU A 62 -18.665 22.359 4.341 1.00 0.00 C ATOM 1048 CD GLU A 62 -18.743 23.649 5.135 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -18.886 24.722 4.513 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -18.657 23.585 6.380 1.00 0.00 O ATOM 0 H GLU A 62 -14.812 21.816 4.034 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.933 20.854 5.608 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.635 22.939 3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.288 21.851 2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.336 22.423 3.484 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.017 21.534 4.960 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.424 19.258 2.765 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.741 18.038 2.033 1.00 0.00 C ATOM 1059 C ALA A 63 -16.378 16.800 2.845 1.00 0.00 C ATOM 1060 O ALA A 63 -17.145 15.839 2.906 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.013 18.023 0.697 1.00 0.00 C ATOM 0 H ALA A 63 -15.709 19.839 2.327 1.00 0.00 H new ATOM 0 HA ALA A 63 -17.816 18.021 1.853 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.258 17.107 0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.322 18.885 0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -14.937 18.067 0.868 1.00 0.00 H new ATOM 1067 N THR A 64 -15.204 16.830 3.465 1.00 0.00 N ATOM 1068 CA THR A 64 -14.734 15.710 4.272 1.00 0.00 C ATOM 1069 C THR A 64 -15.591 15.539 5.523 1.00 0.00 C ATOM 1070 O THR A 64 -16.062 14.441 5.819 1.00 0.00 O ATOM 1071 CB THR A 64 -13.272 15.917 4.667 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.628 16.799 3.764 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.472 14.633 4.702 1.00 0.00 C ATOM 0 H THR A 64 -14.559 17.619 3.424 1.00 0.00 H new ATOM 0 HA THR A 64 -14.817 14.804 3.671 1.00 0.00 H new ATOM 0 HB THR A 64 -13.303 16.334 5.674 1.00 0.00 H new ATOM 0 HG1 THR A 64 -11.663 16.796 3.936 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.444 14.853 4.989 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.913 13.949 5.427 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.482 14.171 3.715 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.784 16.630 6.258 1.00 0.00 N ATOM 1082 CA ALA A 65 -16.577 16.599 7.481 1.00 0.00 C ATOM 1083 C ALA A 65 -18.019 16.187 7.199 1.00 0.00 C ATOM 1084 O ALA A 65 -18.597 15.381 7.930 1.00 0.00 O ATOM 1085 CB ALA A 65 -16.541 17.956 8.167 1.00 0.00 C ATOM 0 H ALA A 65 -15.401 17.547 6.027 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.140 15.853 8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.137 17.919 9.079 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.511 18.210 8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.949 18.713 7.497 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.594 16.744 6.140 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.971 16.433 5.767 1.00 0.00 C ATOM 1093 C TRP A 66 -20.098 14.983 5.312 1.00 0.00 C ATOM 1094 O TRP A 66 -20.975 14.251 5.772 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.449 17.371 4.659 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.939 17.515 4.605 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.680 18.546 5.104 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -22.869 16.595 4.023 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -24.015 18.326 4.868 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -24.157 17.134 4.205 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -22.739 15.369 3.365 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -25.304 16.489 3.751 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -23.878 14.730 2.916 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -25.147 15.290 3.111 1.00 0.00 C ATOM 0 H TRP A 66 -18.130 17.412 5.525 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.598 16.575 6.647 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -20.001 18.354 4.806 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -20.092 16.999 3.699 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -22.276 19.410 5.611 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.776 18.948 5.141 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -21.765 14.929 3.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -26.283 16.920 3.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -23.789 13.782 2.406 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -26.019 14.765 2.749 1.00 0.00 H new ATOM 1115 N ALA A 67 -19.218 14.575 4.404 1.00 0.00 N ATOM 1116 CA ALA A 67 -19.232 13.214 3.882 1.00 0.00 C ATOM 1117 C ALA A 67 -18.921 12.199 4.978 1.00 0.00 C ATOM 1118 O ALA A 67 -19.516 11.123 5.026 1.00 0.00 O ATOM 1119 CB ALA A 67 -18.238 13.077 2.738 1.00 0.00 C ATOM 0 H ALA A 67 -18.486 15.168 4.014 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.234 13.008 3.507 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -18.259 12.056 2.358 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.506 13.767 1.938 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.236 13.310 3.097 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.983 12.546 5.852 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.592 11.662 6.943 1.00 0.00 C ATOM 1127 C LEU A 68 -18.739 11.461 7.930 1.00 0.00 C ATOM 1128 O LEU A 68 -19.011 10.340 8.360 1.00 0.00 O ATOM 1129 CB LEU A 68 -16.371 12.225 7.673 1.00 0.00 C ATOM 1130 CG LEU A 68 -15.021 11.865 7.051 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -13.940 12.823 7.527 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -14.648 10.428 7.386 1.00 0.00 C ATOM 0 H LEU A 68 -17.480 13.433 5.826 1.00 0.00 H new ATOM 0 HA LEU A 68 -17.337 10.694 6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -16.458 13.311 7.711 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -16.386 11.868 8.703 1.00 0.00 H new ATOM 0 HG LEU A 68 -15.105 11.956 5.968 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.987 12.550 7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -14.202 13.840 7.237 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.855 12.766 8.612 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.685 10.188 6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.582 10.312 8.468 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.410 9.754 6.995 1.00 0.00 H new ATOM 1144 N LYS A 69 -19.405 12.554 8.290 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.518 12.493 9.230 1.00 0.00 C ATOM 1146 C LYS A 69 -21.673 11.675 8.660 1.00 0.00 C ATOM 1147 O LYS A 69 -22.211 10.794 9.329 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.998 13.902 9.578 1.00 0.00 C ATOM 1149 CG LYS A 69 -21.424 14.061 11.028 1.00 0.00 C ATOM 1150 CD LYS A 69 -22.190 15.356 11.246 1.00 0.00 C ATOM 1151 CE LYS A 69 -23.333 15.169 12.228 1.00 0.00 C ATOM 1152 NZ LYS A 69 -24.596 14.778 11.542 1.00 0.00 N ATOM 0 H LYS A 69 -19.194 13.491 7.946 1.00 0.00 H new ATOM 0 HA LYS A 69 -20.165 12.003 10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -20.199 14.612 9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -21.837 14.161 8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -22.047 13.215 11.320 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -20.544 14.045 11.671 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -21.511 16.123 11.618 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -22.582 15.713 10.294 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -23.064 14.404 12.957 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -23.492 16.095 12.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -25.352 14.660 12.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -24.867 15.519 10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -24.452 13.881 11.035 1.00 0.00 H new ATOM 1166 N VAL A 70 -22.048 11.972 7.420 1.00 0.00 N ATOM 1167 CA VAL A 70 -23.139 11.260 6.761 1.00 0.00 C ATOM 1168 C VAL A 70 -22.752 9.815 6.469 1.00 0.00 C ATOM 1169 O VAL A 70 -23.538 8.895 6.695 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.555 11.952 5.449 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -22.401 11.965 4.458 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -24.776 11.272 4.848 1.00 0.00 C ATOM 0 H VAL A 70 -21.614 12.699 6.852 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.986 11.273 7.447 1.00 0.00 H new ATOM 0 HB VAL A 70 -23.818 12.985 5.676 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -22.716 12.458 3.539 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -21.558 12.505 4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -22.101 10.941 4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -25.054 11.775 3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -24.544 10.228 4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -25.606 11.325 5.553 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.535 9.619 5.969 1.00 0.00 N ATOM 1183 CA ALA A 71 -21.048 8.281 5.656 1.00 0.00 C ATOM 1184 C ALA A 71 -21.149 7.380 6.878 1.00 0.00 C ATOM 1185 O ALA A 71 -21.614 6.243 6.792 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.613 8.340 5.154 1.00 0.00 C ATOM 0 H ALA A 71 -20.871 10.368 5.773 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.671 7.862 4.866 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -19.266 7.332 4.925 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -19.567 8.953 4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.976 8.777 5.923 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.722 7.906 8.020 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.772 7.165 9.270 1.00 0.00 C ATOM 1194 C GLU A 72 -22.217 6.993 9.729 1.00 0.00 C ATOM 1195 O GLU A 72 -22.588 5.954 10.271 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.965 7.887 10.349 1.00 0.00 C ATOM 1197 CG GLU A 72 -19.865 7.115 11.654 1.00 0.00 C ATOM 1198 CD GLU A 72 -20.940 7.508 12.649 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -20.743 8.510 13.369 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -21.977 6.815 12.706 1.00 0.00 O ATOM 0 H GLU A 72 -20.336 8.847 8.104 1.00 0.00 H new ATOM 0 HA GLU A 72 -20.336 6.180 9.103 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -18.960 8.078 9.972 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.422 8.857 10.545 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.940 6.048 11.447 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -18.884 7.285 12.098 1.00 0.00 H new ATOM 1207 N ASN A 73 -23.026 8.023 9.512 1.00 0.00 N ATOM 1208 CA ASN A 73 -24.427 7.988 9.908 1.00 0.00 C ATOM 1209 C ASN A 73 -25.225 7.010 9.050 1.00 0.00 C ATOM 1210 O ASN A 73 -26.081 6.283 9.554 1.00 0.00 O ATOM 1211 CB ASN A 73 -25.039 9.386 9.802 1.00 0.00 C ATOM 1212 CG ASN A 73 -26.254 9.554 10.695 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -26.260 9.114 11.844 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -27.291 10.195 10.166 1.00 0.00 N ATOM 0 H ASN A 73 -22.735 8.892 9.064 1.00 0.00 H new ATOM 0 HA ASN A 73 -24.472 7.648 10.943 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.289 10.130 10.070 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.322 9.578 8.767 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -28.137 10.339 10.718 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -27.241 10.543 9.208 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.949 7.006 7.750 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.650 6.129 6.819 1.00 0.00 C ATOM 1223 C GLU A 74 -25.083 4.708 6.822 1.00 0.00 C ATOM 1224 O GLU A 74 -25.836 3.735 6.772 1.00 0.00 O ATOM 1225 CB GLU A 74 -25.584 6.710 5.404 1.00 0.00 C ATOM 1226 CG GLU A 74 -26.919 6.690 4.677 1.00 0.00 C ATOM 1227 CD GLU A 74 -26.970 5.644 3.580 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -26.238 4.639 3.684 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -27.744 5.830 2.617 1.00 0.00 O ATOM 0 H GLU A 74 -24.243 7.602 7.317 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.687 6.069 7.148 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -25.224 7.737 5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.854 6.147 4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -27.717 6.498 5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -27.108 7.673 4.246 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.760 4.593 6.850 1.00 0.00 N ATOM 1237 CA LEU A 75 -23.112 3.282 6.825 1.00 0.00 C ATOM 1238 C LEU A 75 -22.611 2.858 8.205 1.00 0.00 C ATOM 1239 O LEU A 75 -22.840 1.726 8.635 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.948 3.293 5.830 1.00 0.00 C ATOM 1241 CG LEU A 75 -22.156 2.433 4.582 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -21.211 2.869 3.472 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -21.955 0.961 4.909 1.00 0.00 C ATOM 0 H LEU A 75 -23.117 5.384 6.890 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.861 2.555 6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -21.766 4.321 5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.049 2.952 6.342 1.00 0.00 H new ATOM 0 HG LEU A 75 -23.180 2.570 4.235 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -21.372 2.247 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.403 3.912 3.220 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -20.180 2.761 3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -22.107 0.364 4.009 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.942 0.806 5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -22.672 0.657 5.672 1.00 0.00 H new ATOM 1255 N GLY A 76 -21.920 3.760 8.892 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.395 3.442 10.209 1.00 0.00 C ATOM 1257 C GLY A 76 -19.878 3.475 10.257 1.00 0.00 C ATOM 1258 O GLY A 76 -19.272 2.993 11.214 1.00 0.00 O ATOM 0 H GLY A 76 -21.714 4.703 8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -21.793 4.150 10.935 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -21.743 2.452 10.505 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.261 4.047 9.226 1.00 0.00 N ATOM 1263 CA ILE A 77 -17.808 4.140 9.160 1.00 0.00 C ATOM 1264 C ILE A 77 -17.302 5.351 9.936 1.00 0.00 C ATOM 1265 O ILE A 77 -17.448 6.490 9.488 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.313 4.235 7.705 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -17.977 3.159 6.844 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -15.799 4.106 7.650 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -17.630 1.747 7.265 1.00 0.00 C ATOM 0 H ILE A 77 -19.746 4.453 8.426 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.413 3.229 9.609 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.589 5.212 7.308 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -19.059 3.287 6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -17.681 3.303 5.805 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.465 4.175 6.615 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.344 4.907 8.232 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.501 3.143 8.064 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -18.136 1.037 6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -16.552 1.601 7.194 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -17.952 1.585 8.294 1.00 0.00 H new ATOM 1281 N THR A 78 -16.713 5.102 11.099 1.00 0.00 N ATOM 1282 CA THR A 78 -16.189 6.175 11.936 1.00 0.00 C ATOM 1283 C THR A 78 -14.899 6.745 11.347 1.00 0.00 C ATOM 1284 O THR A 78 -13.997 5.997 10.974 1.00 0.00 O ATOM 1285 CB THR A 78 -15.933 5.665 13.355 1.00 0.00 C ATOM 1286 OG1 THR A 78 -15.287 6.655 14.135 1.00 0.00 O ATOM 1287 CG2 THR A 78 -15.077 4.418 13.396 1.00 0.00 C ATOM 0 H THR A 78 -16.586 4.166 11.484 1.00 0.00 H new ATOM 0 HA THR A 78 -16.934 6.970 11.972 1.00 0.00 H new ATOM 0 HB THR A 78 -16.917 5.425 13.758 1.00 0.00 H new ATOM 0 HG1 THR A 78 -15.134 6.310 15.039 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.934 4.109 14.431 1.00 0.00 H new ATOM 0 HG22 THR A 78 -15.572 3.619 12.844 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.108 4.627 12.942 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.795 8.084 11.253 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.605 8.745 10.704 1.00 0.00 C ATOM 1297 C PRO A 79 -12.321 8.280 11.378 1.00 0.00 C ATOM 1298 O PRO A 79 -12.275 8.106 12.597 1.00 0.00 O ATOM 1299 CB PRO A 79 -13.855 10.228 10.992 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.337 10.351 11.081 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.823 9.057 11.671 1.00 0.00 C ATOM 0 HA PRO A 79 -13.467 8.521 9.646 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.375 10.537 11.921 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.452 10.859 10.200 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.622 11.197 11.707 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.775 10.520 10.097 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.904 9.115 12.756 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.809 8.788 11.292 1.00 0.00 H new ATOM 1309 N VAL A 80 -11.278 8.080 10.579 1.00 0.00 N ATOM 1310 CA VAL A 80 -9.989 7.633 11.098 1.00 0.00 C ATOM 1311 C VAL A 80 -8.919 8.712 10.945 1.00 0.00 C ATOM 1312 O VAL A 80 -7.878 8.660 11.598 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.514 6.352 10.387 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -8.278 5.787 11.074 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.629 5.318 10.346 1.00 0.00 C ATOM 0 H VAL A 80 -11.300 8.220 9.569 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.134 7.424 12.158 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.248 6.606 9.361 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.957 4.882 10.558 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.476 6.525 11.045 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.515 5.549 12.111 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.274 4.420 9.840 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.929 5.066 11.363 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.483 5.725 9.806 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.180 9.689 10.079 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.234 10.775 9.848 1.00 0.00 C ATOM 1327 C VAL A 81 -8.953 12.114 9.738 1.00 0.00 C ATOM 1328 O VAL A 81 -10.093 12.181 9.278 1.00 0.00 O ATOM 1329 CB VAL A 81 -7.413 10.539 8.567 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -6.404 9.420 8.776 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -8.330 10.230 7.394 1.00 0.00 C ATOM 0 H VAL A 81 -10.036 9.750 9.528 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.560 10.797 10.704 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.863 11.452 8.337 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.834 9.268 7.860 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.725 9.689 9.586 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -6.929 8.500 9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.732 10.066 6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -8.910 9.333 7.612 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.007 11.069 7.230 1.00 0.00 H new ATOM 1341 N SER A 82 -8.280 13.179 10.162 1.00 0.00 N ATOM 1342 CA SER A 82 -8.858 14.518 10.110 1.00 0.00 C ATOM 1343 C SER A 82 -8.846 15.060 8.685 1.00 0.00 C ATOM 1344 O SER A 82 -7.958 14.736 7.895 1.00 0.00 O ATOM 1345 CB SER A 82 -8.089 15.464 11.034 1.00 0.00 C ATOM 1346 OG SER A 82 -8.129 15.010 12.376 1.00 0.00 O ATOM 0 H SER A 82 -7.335 13.141 10.545 1.00 0.00 H new ATOM 0 HA SER A 82 -9.893 14.454 10.447 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.053 15.539 10.703 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.516 16.465 10.972 1.00 0.00 H new ATOM 0 HG SER A 82 -7.629 15.631 12.946 1.00 0.00 H new ATOM 1352 N ALA A 83 -9.836 15.886 8.362 1.00 0.00 N ATOM 1353 CA ALA A 83 -9.940 16.470 7.031 1.00 0.00 C ATOM 1354 C ALA A 83 -8.689 17.270 6.681 1.00 0.00 C ATOM 1355 O ALA A 83 -8.172 17.176 5.567 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.175 17.354 6.939 1.00 0.00 C ATOM 0 H ALA A 83 -10.577 16.166 9.004 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.032 15.657 6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.241 17.784 5.940 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.065 16.757 7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.105 18.155 7.675 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.208 18.058 7.637 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.017 18.875 7.429 1.00 0.00 C ATOM 1364 C GLN A 84 -5.823 18.010 7.038 1.00 0.00 C ATOM 1365 O GLN A 84 -5.019 18.393 6.187 1.00 0.00 O ATOM 1366 CB GLN A 84 -6.691 19.671 8.694 1.00 0.00 C ATOM 1367 CG GLN A 84 -5.542 20.649 8.517 1.00 0.00 C ATOM 1368 CD GLN A 84 -5.280 21.471 9.766 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -5.684 21.095 10.866 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -4.598 22.597 9.600 1.00 0.00 N ATOM 0 H GLN A 84 -8.624 18.148 8.564 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.222 19.569 6.614 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.579 20.220 9.007 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.446 18.976 9.497 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.639 20.099 8.252 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -5.764 21.318 7.686 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -4.283 22.870 8.669 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -4.389 23.190 10.403 1.00 0.00 H new ATOM 1379 N ALA A 85 -5.711 16.843 7.664 1.00 0.00 N ATOM 1380 CA ALA A 85 -4.615 15.926 7.381 1.00 0.00 C ATOM 1381 C ALA A 85 -4.737 15.339 5.978 1.00 0.00 C ATOM 1382 O ALA A 85 -3.758 15.275 5.235 1.00 0.00 O ATOM 1383 CB ALA A 85 -4.578 14.814 8.419 1.00 0.00 C ATOM 0 H ALA A 85 -6.367 16.511 8.371 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.682 16.487 7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.755 14.136 8.196 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.435 15.246 9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.518 14.263 8.396 1.00 0.00 H new ATOM 1389 N VAL A 86 -5.943 14.909 5.625 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.192 14.326 4.311 1.00 0.00 C ATOM 1391 C VAL A 86 -5.879 15.318 3.197 1.00 0.00 C ATOM 1392 O VAL A 86 -5.152 15.001 2.256 1.00 0.00 O ATOM 1393 CB VAL A 86 -7.654 13.860 4.173 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -7.848 13.084 2.880 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.064 13.022 5.375 1.00 0.00 C ATOM 0 H VAL A 86 -6.763 14.953 6.230 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.532 13.464 4.219 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.295 14.741 4.139 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.887 12.763 2.800 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -7.599 13.722 2.032 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.197 12.210 2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.100 12.702 5.259 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.419 12.146 5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.967 13.617 6.283 1.00 0.00 H new ATOM 1405 N VAL A 87 -6.435 16.520 3.308 1.00 0.00 N ATOM 1406 CA VAL A 87 -6.216 17.558 2.308 1.00 0.00 C ATOM 1407 C VAL A 87 -4.770 18.042 2.321 1.00 0.00 C ATOM 1408 O VAL A 87 -4.217 18.405 1.282 1.00 0.00 O ATOM 1409 CB VAL A 87 -7.149 18.763 2.536 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -7.047 19.748 1.381 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -8.586 18.297 2.726 1.00 0.00 C ATOM 0 H VAL A 87 -7.040 16.799 4.080 1.00 0.00 H new ATOM 0 HA VAL A 87 -6.438 17.112 1.338 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.834 19.275 3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -7.714 20.591 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.021 20.108 1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -7.333 19.252 0.453 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.231 19.161 2.886 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.914 17.759 1.837 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -8.643 17.637 3.592 1.00 0.00 H new ATOM 1421 N ALA A 88 -4.164 18.046 3.503 1.00 0.00 N ATOM 1422 CA ALA A 88 -2.782 18.486 3.650 1.00 0.00 C ATOM 1423 C ALA A 88 -1.798 17.361 3.339 1.00 0.00 C ATOM 1424 O ALA A 88 -0.603 17.601 3.169 1.00 0.00 O ATOM 1425 CB ALA A 88 -2.548 19.017 5.058 1.00 0.00 C ATOM 0 H ALA A 88 -4.608 17.750 4.372 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.608 19.286 2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.513 19.343 5.157 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.213 19.860 5.244 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.751 18.228 5.783 1.00 0.00 H new ATOM 1431 N GLY A 89 -2.303 16.133 3.263 1.00 0.00 N ATOM 1432 CA GLY A 89 -1.448 14.997 2.972 1.00 0.00 C ATOM 1433 C GLY A 89 -0.331 14.837 3.987 1.00 0.00 C ATOM 1434 O GLY A 89 0.760 14.375 3.652 1.00 0.00 O ATOM 0 H GLY A 89 -3.288 15.905 3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.050 14.089 2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.017 15.115 1.978 1.00 0.00 H new ATOM 1438 N SER A 90 -0.606 15.220 5.229 1.00 0.00 N ATOM 1439 CA SER A 90 0.383 15.119 6.297 1.00 0.00 C ATOM 1440 C SER A 90 0.050 13.969 7.243 1.00 0.00 C ATOM 1441 O SER A 90 0.342 14.030 8.437 1.00 0.00 O ATOM 1442 CB SER A 90 0.454 16.432 7.078 1.00 0.00 C ATOM 1443 OG SER A 90 -0.822 17.036 7.178 1.00 0.00 O ATOM 0 H SER A 90 -1.505 15.603 5.521 1.00 0.00 H new ATOM 0 HA SER A 90 1.353 14.920 5.842 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.850 16.244 8.076 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.145 17.115 6.585 1.00 0.00 H new ATOM 0 HG SER A 90 -0.749 17.873 7.683 1.00 0.00 H new ATOM 1449 N ASP A 91 -0.564 12.924 6.701 1.00 0.00 N ATOM 1450 CA ASP A 91 -0.938 11.760 7.497 1.00 0.00 C ATOM 1451 C ASP A 91 -1.033 10.511 6.623 1.00 0.00 C ATOM 1452 O ASP A 91 -2.118 9.971 6.411 1.00 0.00 O ATOM 1453 CB ASP A 91 -2.271 12.008 8.205 1.00 0.00 C ATOM 1454 CG ASP A 91 -2.332 11.349 9.569 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -1.644 10.325 9.765 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -3.068 11.855 10.442 1.00 0.00 O ATOM 0 H ASP A 91 -0.814 12.858 5.714 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.163 11.597 8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.426 13.081 8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.084 11.630 7.585 1.00 0.00 H new ATOM 1461 N PRO A 92 0.110 10.036 6.100 1.00 0.00 N ATOM 1462 CA PRO A 92 0.152 8.845 5.244 1.00 0.00 C ATOM 1463 C PRO A 92 -0.325 7.591 5.971 1.00 0.00 C ATOM 1464 O PRO A 92 -1.069 6.785 5.414 1.00 0.00 O ATOM 1465 CB PRO A 92 1.635 8.715 4.871 1.00 0.00 C ATOM 1466 CG PRO A 92 2.366 9.498 5.908 1.00 0.00 C ATOM 1467 CD PRO A 92 1.448 10.618 6.302 1.00 0.00 C ATOM 0 HA PRO A 92 -0.508 8.945 4.382 1.00 0.00 H new ATOM 0 HB2 PRO A 92 1.951 7.672 4.869 1.00 0.00 H new ATOM 0 HB3 PRO A 92 1.826 9.108 3.872 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.612 8.874 6.767 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.307 9.884 5.515 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.604 10.922 7.337 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.601 11.502 5.683 1.00 0.00 H new ATOM 1475 N LEU A 93 0.110 7.434 7.217 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.273 6.276 8.020 1.00 0.00 C ATOM 1477 C LEU A 93 -1.789 6.192 8.169 1.00 0.00 C ATOM 1478 O LEU A 93 -2.376 5.118 8.041 1.00 0.00 O ATOM 1479 CB LEU A 93 0.383 6.349 9.400 1.00 0.00 C ATOM 1480 CG LEU A 93 1.760 5.687 9.499 1.00 0.00 C ATOM 1481 CD1 LEU A 93 2.525 6.224 10.699 1.00 0.00 C ATOM 1482 CD2 LEU A 93 1.618 4.175 9.588 1.00 0.00 C ATOM 0 H LEU A 93 0.727 8.092 7.693 1.00 0.00 H new ATOM 0 HA LEU A 93 0.073 5.379 7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.479 7.397 9.685 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.281 5.881 10.126 1.00 0.00 H new ATOM 0 HG LEU A 93 2.324 5.927 8.598 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.501 5.742 10.753 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.657 7.301 10.594 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.966 6.014 11.611 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.606 3.720 9.658 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.036 3.916 10.472 1.00 0.00 H new ATOM 0 HD23 LEU A 93 1.110 3.804 8.698 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.415 7.332 8.442 1.00 0.00 N ATOM 1495 CA GLY A 94 -3.856 7.365 8.604 1.00 0.00 C ATOM 1496 C GLY A 94 -4.596 7.091 7.310 1.00 0.00 C ATOM 1497 O GLY A 94 -5.654 6.461 7.313 1.00 0.00 O ATOM 0 H GLY A 94 -1.950 8.233 8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.151 6.627 9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.152 8.341 8.988 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.038 7.564 6.200 1.00 0.00 N ATOM 1502 CA LEU A 95 -4.654 7.367 4.891 1.00 0.00 C ATOM 1503 C LEU A 95 -4.792 5.882 4.571 1.00 0.00 C ATOM 1504 O LEU A 95 -5.826 5.439 4.070 1.00 0.00 O ATOM 1505 CB LEU A 95 -3.827 8.060 3.807 1.00 0.00 C ATOM 1506 CG LEU A 95 -4.535 8.231 2.462 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -5.272 9.560 2.412 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -3.536 8.132 1.317 1.00 0.00 C ATOM 0 H LEU A 95 -3.162 8.086 6.180 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.651 7.808 4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.530 9.043 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.912 7.489 3.649 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.265 7.429 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.770 9.664 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -6.015 9.594 3.209 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.561 10.376 2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.057 8.256 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.783 8.913 1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.052 7.156 1.340 1.00 0.00 H new ATOM 1520 N ILE A 96 -3.745 5.117 4.863 1.00 0.00 N ATOM 1521 CA ILE A 96 -3.752 3.683 4.606 1.00 0.00 C ATOM 1522 C ILE A 96 -4.745 2.968 5.516 1.00 0.00 C ATOM 1523 O ILE A 96 -5.533 2.139 5.063 1.00 0.00 O ATOM 1524 CB ILE A 96 -2.353 3.067 4.806 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -1.310 3.840 3.996 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -2.356 1.598 4.404 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -1.524 3.758 2.500 1.00 0.00 C ATOM 0 H ILE A 96 -2.881 5.467 5.278 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.053 3.550 3.567 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.092 3.135 5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.328 4.886 4.301 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.318 3.455 4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.361 1.178 4.551 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.074 1.054 5.018 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.636 1.509 3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.748 4.329 1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.477 2.716 2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.502 4.170 2.249 1.00 0.00 H new ATOM 1539 N ALA A 97 -4.702 3.294 6.804 1.00 0.00 N ATOM 1540 CA ALA A 97 -5.596 2.683 7.779 1.00 0.00 C ATOM 1541 C ALA A 97 -7.056 2.979 7.448 1.00 0.00 C ATOM 1542 O ALA A 97 -7.932 2.137 7.650 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.261 3.169 9.180 1.00 0.00 C ATOM 0 H ALA A 97 -4.056 3.979 7.196 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.454 1.603 7.738 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.937 2.704 9.898 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.233 2.899 9.423 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.372 4.252 9.226 1.00 0.00 H new ATOM 1549 N TYR A 98 -7.309 4.181 6.943 1.00 0.00 N ATOM 1550 CA TYR A 98 -8.663 4.590 6.585 1.00 0.00 C ATOM 1551 C TYR A 98 -9.176 3.796 5.388 1.00 0.00 C ATOM 1552 O TYR A 98 -10.295 3.284 5.403 1.00 0.00 O ATOM 1553 CB TYR A 98 -8.700 6.087 6.273 1.00 0.00 C ATOM 1554 CG TYR A 98 -10.092 6.619 6.017 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -10.765 6.316 4.840 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -10.733 7.422 6.952 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -12.038 6.799 4.602 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -12.005 7.909 6.721 1.00 0.00 C ATOM 1559 CZ TYR A 98 -12.653 7.596 5.545 1.00 0.00 C ATOM 1560 OH TYR A 98 -13.920 8.079 5.311 1.00 0.00 O ATOM 0 H TYR A 98 -6.595 4.889 6.772 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.313 4.386 7.436 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.259 6.634 7.106 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -8.079 6.283 5.399 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.286 5.693 4.099 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.229 7.670 7.874 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.549 6.554 3.682 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -12.490 8.532 7.458 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.462 7.383 4.885 1.00 0.00 H new ATOM 1570 N LEU A 99 -8.351 3.698 4.352 1.00 0.00 N ATOM 1571 CA LEU A 99 -8.721 2.969 3.144 1.00 0.00 C ATOM 1572 C LEU A 99 -9.058 1.516 3.467 1.00 0.00 C ATOM 1573 O LEU A 99 -9.907 0.906 2.817 1.00 0.00 O ATOM 1574 CB LEU A 99 -7.586 3.029 2.119 1.00 0.00 C ATOM 1575 CG LEU A 99 -7.710 4.144 1.080 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -8.972 3.962 0.251 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -7.707 5.505 1.759 1.00 0.00 C ATOM 0 H LEU A 99 -7.420 4.115 4.324 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.607 3.442 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.643 3.152 2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -7.536 2.072 1.599 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.851 4.091 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -9.044 4.764 -0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.934 3.002 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -9.844 3.989 0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.796 6.288 1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.548 5.569 2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -6.775 5.635 2.309 1.00 0.00 H new ATOM 1589 N SER A 100 -8.385 0.966 4.472 1.00 0.00 N ATOM 1590 CA SER A 100 -8.613 -0.415 4.881 1.00 0.00 C ATOM 1591 C SER A 100 -10.037 -0.605 5.395 1.00 0.00 C ATOM 1592 O SER A 100 -10.655 -1.644 5.166 1.00 0.00 O ATOM 1593 CB SER A 100 -7.610 -0.821 5.963 1.00 0.00 C ATOM 1594 OG SER A 100 -6.354 -1.151 5.397 1.00 0.00 O ATOM 0 H SER A 100 -7.677 1.456 5.019 1.00 0.00 H new ATOM 0 HA SER A 100 -8.474 -1.052 4.008 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.488 -0.005 6.675 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.997 -1.674 6.520 1.00 0.00 H new ATOM 0 HG SER A 100 -5.731 -1.405 6.109 1.00 0.00 H new ATOM 1600 N HIS A 101 -10.549 0.404 6.091 1.00 0.00 N ATOM 1601 CA HIS A 101 -11.899 0.347 6.639 1.00 0.00 C ATOM 1602 C HIS A 101 -12.943 0.529 5.541 1.00 0.00 C ATOM 1603 O HIS A 101 -13.903 -0.236 5.452 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.082 1.419 7.714 1.00 0.00 C ATOM 1605 CG HIS A 101 -13.169 1.104 8.695 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -14.288 0.368 8.368 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -13.303 1.429 10.002 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -15.065 0.254 9.431 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -14.489 0.888 10.435 1.00 0.00 N ATOM 0 H HIS A 101 -10.050 1.271 6.289 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.039 -0.636 7.088 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.143 1.545 8.253 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.304 2.371 7.232 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -14.485 -0.027 7.449 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -12.608 2.006 10.594 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -16.009 -0.268 9.471 1.00 0.00 H new ATOM 1618 N PHE A 102 -12.750 1.546 4.708 1.00 0.00 N ATOM 1619 CA PHE A 102 -13.675 1.827 3.617 1.00 0.00 C ATOM 1620 C PHE A 102 -13.712 0.669 2.624 1.00 0.00 C ATOM 1621 O PHE A 102 -14.776 0.292 2.132 1.00 0.00 O ATOM 1622 CB PHE A 102 -13.276 3.122 2.903 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.334 4.186 2.957 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -14.660 4.797 4.158 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -15.002 4.576 1.808 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -15.632 5.777 4.211 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -15.976 5.557 1.856 1.00 0.00 C ATOM 1628 CZ PHE A 102 -16.292 6.157 3.058 1.00 0.00 C ATOM 0 H PHE A 102 -11.961 2.189 4.768 1.00 0.00 H new ATOM 0 HA PHE A 102 -14.673 1.949 4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.361 3.508 3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -13.050 2.898 1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -14.148 4.503 5.063 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -14.760 4.109 0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -15.876 6.246 5.153 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -16.489 5.853 0.953 1.00 0.00 H new ATOM 0 HZ PHE A 102 -17.053 6.922 3.097 1.00 0.00 H new ATOM 1638 N HIS A 103 -12.543 0.110 2.332 1.00 0.00 N ATOM 1639 CA HIS A 103 -12.439 -1.004 1.396 1.00 0.00 C ATOM 1640 C HIS A 103 -13.100 -2.256 1.965 1.00 0.00 C ATOM 1641 O HIS A 103 -13.831 -2.955 1.264 1.00 0.00 O ATOM 1642 CB HIS A 103 -10.972 -1.290 1.074 1.00 0.00 C ATOM 1643 CG HIS A 103 -10.781 -2.166 -0.126 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -9.948 -1.835 -1.174 1.00 0.00 N ATOM 1645 CD2 HIS A 103 -11.321 -3.366 -0.441 1.00 0.00 C ATOM 1646 CE1 HIS A 103 -9.983 -2.795 -2.083 1.00 0.00 C ATOM 1647 NE2 HIS A 103 -10.809 -3.735 -1.661 1.00 0.00 N ATOM 0 H HIS A 103 -11.653 0.410 2.730 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.958 -0.726 0.479 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.454 -0.345 0.910 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.505 -1.764 1.937 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -12.024 -3.929 0.156 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.431 -2.808 -3.011 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.031 -4.596 -2.160 1.00 0.00 H new ATOM 1656 N SER A 104 -12.839 -2.531 3.238 1.00 0.00 N ATOM 1657 CA SER A 104 -13.407 -3.701 3.900 1.00 0.00 C ATOM 1658 C SER A 104 -14.921 -3.572 4.036 1.00 0.00 C ATOM 1659 O SER A 104 -15.659 -4.527 3.795 1.00 0.00 O ATOM 1660 CB SER A 104 -12.775 -3.887 5.280 1.00 0.00 C ATOM 1661 OG SER A 104 -11.537 -4.572 5.185 1.00 0.00 O ATOM 0 H SER A 104 -12.238 -1.960 3.833 1.00 0.00 H new ATOM 0 HA SER A 104 -13.190 -4.575 3.285 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.621 -2.914 5.747 1.00 0.00 H new ATOM 0 HB3 SER A 104 -13.455 -4.446 5.923 1.00 0.00 H new ATOM 0 HG SER A 104 -10.807 -3.921 5.126 1.00 0.00 H new ATOM 1667 N ALA A 105 -15.378 -2.387 4.428 1.00 0.00 N ATOM 1668 CA ALA A 105 -16.804 -2.138 4.600 1.00 0.00 C ATOM 1669 C ALA A 105 -17.541 -2.211 3.267 1.00 0.00 C ATOM 1670 O ALA A 105 -18.611 -2.813 3.171 1.00 0.00 O ATOM 1671 CB ALA A 105 -17.027 -0.781 5.253 1.00 0.00 C ATOM 0 H ALA A 105 -14.782 -1.585 4.632 1.00 0.00 H new ATOM 0 HA ALA A 105 -17.206 -2.915 5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -18.096 -0.608 5.376 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -16.542 -0.763 6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -16.603 0.000 4.622 1.00 0.00 H new ATOM 1677 N PHE A 106 -16.963 -1.595 2.241 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.566 -1.591 0.915 1.00 0.00 C ATOM 1679 C PHE A 106 -17.534 -2.986 0.296 1.00 0.00 C ATOM 1680 O PHE A 106 -18.395 -3.336 -0.511 1.00 0.00 O ATOM 1681 CB PHE A 106 -16.833 -0.601 0.009 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.215 0.831 0.253 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -17.236 1.350 1.537 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -17.556 1.656 -0.805 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -17.587 2.669 1.761 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.908 2.975 -0.590 1.00 0.00 C ATOM 1687 CZ PHE A 106 -17.923 3.482 0.696 1.00 0.00 C ATOM 0 H PHE A 106 -16.078 -1.092 2.303 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.607 -1.284 1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.759 -0.712 0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -17.039 -0.852 -1.032 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -16.975 0.718 2.373 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -17.547 1.264 -1.811 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -17.598 3.063 2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -18.171 3.608 -1.425 1.00 0.00 H new ATOM 0 HZ PHE A 106 -18.197 4.512 0.868 1.00 0.00 H new ATOM 1697 N LYS A 107 -16.537 -3.777 0.680 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.396 -5.132 0.160 1.00 0.00 C ATOM 1699 C LYS A 107 -17.538 -6.024 0.639 1.00 0.00 C ATOM 1700 O LYS A 107 -17.985 -6.916 -0.080 1.00 0.00 O ATOM 1701 CB LYS A 107 -15.054 -5.729 0.592 1.00 0.00 C ATOM 1702 CG LYS A 107 -14.787 -7.109 0.012 1.00 0.00 C ATOM 1703 CD LYS A 107 -13.660 -7.078 -1.009 1.00 0.00 C ATOM 1704 CE LYS A 107 -12.865 -8.374 -1.000 1.00 0.00 C ATOM 1705 NZ LYS A 107 -11.405 -8.130 -1.153 1.00 0.00 N ATOM 0 H LYS A 107 -15.816 -3.504 1.348 1.00 0.00 H new ATOM 0 HA LYS A 107 -16.432 -5.080 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.252 -5.056 0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -15.026 -5.790 1.680 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -14.532 -7.799 0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -15.694 -7.489 -0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -14.073 -6.910 -2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.996 -6.241 -0.794 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -13.048 -8.906 -0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -13.212 -9.019 -1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.898 -9.038 -1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.227 -7.645 -2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.068 -7.536 -0.368 1.00 0.00 H new