USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 754 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 GLN : amide:sc= -0.215 K(o=-0.22,f=-1.5) USER MOD Single : A 13 CYS SG : rot -23:sc= -0.0131 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 16 GLN : amide:sc= -0.0508 K(o=-0.051,f=-4.5!) USER MOD Single : A 17 THR OG1 : rot -99:sc= -0.15 USER MOD Single : A 20 TYR OH : rot 34:sc= 0.251 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.00022) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 140:sc= -0.766 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -151:sc= -0.966 USER MOD Single : A 39 CYS SG : rot 98:sc= -2.26 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.61 K(o=-1.6,f=-0.38) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 64 THR OG1 : rot 74:sc= 0.253 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= -0.111 X(o=-0.11,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= 0.0258 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.681 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -2.73! C(o=-2.7!,f=-4!) USER MOD Single : A 103 HIS : no HD1:sc= -0.65 K(o=-0.65,f=0.16) USER MOD Single : A 104 SER OG : rot 77:sc= 0.614 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N GLN A 6 0.216 -0.510 -2.750 1.00 0.00 N ATOM 202 CA GLN A 6 -0.461 0.780 -2.764 1.00 0.00 C ATOM 203 C GLN A 6 -1.045 1.079 -4.141 1.00 0.00 C ATOM 204 O GLN A 6 -2.085 1.727 -4.258 1.00 0.00 O ATOM 205 CB GLN A 6 0.510 1.893 -2.360 1.00 0.00 C ATOM 206 CG GLN A 6 0.542 2.157 -0.863 1.00 0.00 C ATOM 207 CD GLN A 6 1.065 0.975 -0.072 1.00 0.00 C ATOM 208 OE1 GLN A 6 0.401 -0.056 0.037 1.00 0.00 O ATOM 209 NE2 GLN A 6 2.261 1.117 0.484 1.00 0.00 N ATOM 0 HA GLN A 6 -1.279 0.737 -2.045 1.00 0.00 H new ATOM 0 HB2 GLN A 6 1.513 1.629 -2.696 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.232 2.812 -2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.168 3.027 -0.665 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.463 2.403 -0.520 1.00 0.00 H new ATOM 0 HE21 GLN A 6 2.777 1.989 0.368 1.00 0.00 H new ATOM 0 HE22 GLN A 6 2.665 0.354 1.027 1.00 0.00 H new ATOM 218 N GLU A 7 -0.367 0.605 -5.182 1.00 0.00 N ATOM 219 CA GLU A 7 -0.817 0.824 -6.552 1.00 0.00 C ATOM 220 C GLU A 7 -2.176 0.174 -6.797 1.00 0.00 C ATOM 221 O GLU A 7 -3.077 0.793 -7.363 1.00 0.00 O ATOM 222 CB GLU A 7 0.212 0.276 -7.542 1.00 0.00 C ATOM 223 CG GLU A 7 0.605 1.270 -8.624 1.00 0.00 C ATOM 224 CD GLU A 7 1.448 2.410 -8.088 1.00 0.00 C ATOM 225 OE1 GLU A 7 0.911 3.238 -7.323 1.00 0.00 O ATOM 226 OE2 GLU A 7 2.647 2.476 -8.434 1.00 0.00 O ATOM 0 H GLU A 7 0.496 0.067 -5.103 1.00 0.00 H new ATOM 0 HA GLU A 7 -0.922 1.898 -6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.105 -0.025 -6.995 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.191 -0.621 -8.013 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.158 0.750 -9.406 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -0.296 1.675 -9.085 1.00 0.00 H new ATOM 233 N GLU A 8 -2.316 -1.077 -6.371 1.00 0.00 N ATOM 234 CA GLU A 8 -3.568 -1.806 -6.551 1.00 0.00 C ATOM 235 C GLU A 8 -4.697 -1.158 -5.753 1.00 0.00 C ATOM 236 O GLU A 8 -5.858 -1.203 -6.156 1.00 0.00 O ATOM 237 CB GLU A 8 -3.400 -3.270 -6.135 1.00 0.00 C ATOM 238 CG GLU A 8 -3.124 -3.463 -4.653 1.00 0.00 C ATOM 239 CD GLU A 8 -3.815 -4.688 -4.087 1.00 0.00 C ATOM 240 OE1 GLU A 8 -3.994 -5.670 -4.838 1.00 0.00 O ATOM 241 OE2 GLU A 8 -4.180 -4.665 -2.893 1.00 0.00 O ATOM 0 H GLU A 8 -1.582 -1.606 -5.901 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.831 -1.769 -7.608 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.304 -3.819 -6.400 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.582 -3.708 -6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -2.049 -3.551 -4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -3.454 -2.579 -4.107 1.00 0.00 H new ATOM 248 N LEU A 9 -4.349 -0.557 -4.618 1.00 0.00 N ATOM 249 CA LEU A 9 -5.335 0.096 -3.766 1.00 0.00 C ATOM 250 C LEU A 9 -5.860 1.371 -4.419 1.00 0.00 C ATOM 251 O LEU A 9 -7.070 1.593 -4.485 1.00 0.00 O ATOM 252 CB LEU A 9 -4.723 0.423 -2.402 1.00 0.00 C ATOM 253 CG LEU A 9 -5.674 1.089 -1.406 1.00 0.00 C ATOM 254 CD1 LEU A 9 -6.797 0.138 -1.020 1.00 0.00 C ATOM 255 CD2 LEU A 9 -4.914 1.549 -0.171 1.00 0.00 C ATOM 0 H LEU A 9 -3.392 -0.509 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.171 -0.590 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.346 -0.499 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.865 1.077 -2.554 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.116 1.963 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.463 0.630 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.359 -0.142 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.375 -0.756 -0.561 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.606 2.021 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.444 0.690 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.147 2.267 -0.462 1.00 0.00 H new ATOM 267 N LEU A 10 -4.943 2.204 -4.901 1.00 0.00 N ATOM 268 CA LEU A 10 -5.314 3.457 -5.550 1.00 0.00 C ATOM 269 C LEU A 10 -6.118 3.194 -6.821 1.00 0.00 C ATOM 270 O LEU A 10 -7.023 3.955 -7.163 1.00 0.00 O ATOM 271 CB LEU A 10 -4.063 4.274 -5.880 1.00 0.00 C ATOM 272 CG LEU A 10 -4.118 5.743 -5.457 1.00 0.00 C ATOM 273 CD1 LEU A 10 -2.839 6.464 -5.857 1.00 0.00 C ATOM 274 CD2 LEU A 10 -5.332 6.425 -6.068 1.00 0.00 C ATOM 0 H LEU A 10 -3.938 2.034 -4.855 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.938 4.026 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.204 3.805 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.891 4.228 -6.955 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.208 5.787 -4.372 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.898 7.507 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.986 5.989 -5.372 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.716 6.413 -6.939 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.357 7.470 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.271 6.371 -7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.239 5.924 -5.730 1.00 0.00 H new ATOM 286 N ARG A 11 -5.778 2.113 -7.514 1.00 0.00 N ATOM 287 CA ARG A 11 -6.467 1.749 -8.748 1.00 0.00 C ATOM 288 C ARG A 11 -7.922 1.381 -8.473 1.00 0.00 C ATOM 289 O ARG A 11 -8.819 1.751 -9.230 1.00 0.00 O ATOM 290 CB ARG A 11 -5.753 0.580 -9.429 1.00 0.00 C ATOM 291 CG ARG A 11 -4.682 1.013 -10.417 1.00 0.00 C ATOM 292 CD ARG A 11 -5.276 1.317 -11.784 1.00 0.00 C ATOM 293 NE ARG A 11 -4.270 1.259 -12.842 1.00 0.00 N ATOM 294 CZ ARG A 11 -4.561 1.137 -14.135 1.00 0.00 C ATOM 295 NH1 ARG A 11 -5.825 1.057 -14.533 1.00 0.00 N ATOM 296 NH2 ARG A 11 -3.586 1.094 -15.033 1.00 0.00 N ATOM 0 H ARG A 11 -5.031 1.474 -7.243 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.450 2.613 -9.412 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.298 -0.051 -8.666 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.490 -0.031 -9.950 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.170 1.897 -10.037 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.933 0.227 -10.511 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.072 0.604 -12.000 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.731 2.307 -11.770 1.00 0.00 H new ATOM 0 HE ARG A 11 -3.287 1.315 -12.574 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.579 1.089 -13.847 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.042 0.964 -15.525 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.613 1.154 -14.733 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.809 1.000 -16.024 1.00 0.00 H new ATOM 310 N TRP A 12 -8.147 0.649 -7.387 1.00 0.00 N ATOM 311 CA TRP A 12 -9.493 0.229 -7.013 1.00 0.00 C ATOM 312 C TRP A 12 -10.342 1.427 -6.596 1.00 0.00 C ATOM 313 O TRP A 12 -11.498 1.552 -7.002 1.00 0.00 O ATOM 314 CB TRP A 12 -9.434 -0.790 -5.874 1.00 0.00 C ATOM 315 CG TRP A 12 -10.781 -1.297 -5.458 1.00 0.00 C ATOM 316 CD1 TRP A 12 -11.403 -2.429 -5.899 1.00 0.00 C ATOM 317 CD2 TRP A 12 -11.674 -0.688 -4.517 1.00 0.00 C ATOM 318 NE1 TRP A 12 -12.628 -2.562 -5.291 1.00 0.00 N ATOM 319 CE2 TRP A 12 -12.817 -1.505 -4.438 1.00 0.00 C ATOM 320 CE3 TRP A 12 -11.617 0.469 -3.735 1.00 0.00 C ATOM 321 CZ2 TRP A 12 -13.892 -1.203 -3.607 1.00 0.00 C ATOM 322 CZ3 TRP A 12 -12.686 0.768 -2.911 1.00 0.00 C ATOM 323 CH2 TRP A 12 -13.810 -0.065 -2.853 1.00 0.00 C ATOM 0 H TRP A 12 -7.415 0.334 -6.750 1.00 0.00 H new ATOM 0 HA TRP A 12 -9.956 -0.236 -7.884 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -8.816 -1.633 -6.183 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -8.944 -0.334 -5.014 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -10.992 -3.120 -6.621 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -13.289 -3.323 -5.448 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -10.754 1.117 -3.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -14.760 -1.844 -3.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -12.654 1.659 -2.302 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.629 0.197 -2.199 1.00 0.00 H new ATOM 334 N CYS A 13 -9.762 2.303 -5.783 1.00 0.00 N ATOM 335 CA CYS A 13 -10.467 3.489 -5.311 1.00 0.00 C ATOM 336 C CYS A 13 -10.901 4.369 -6.479 1.00 0.00 C ATOM 337 O CYS A 13 -12.036 4.841 -6.523 1.00 0.00 O ATOM 338 CB CYS A 13 -9.579 4.290 -4.356 1.00 0.00 C ATOM 339 SG CYS A 13 -10.420 5.675 -3.555 1.00 0.00 S ATOM 0 H CYS A 13 -8.806 2.214 -5.437 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.359 3.160 -4.778 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -9.193 3.620 -3.588 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.720 4.671 -4.909 1.00 0.00 H new ATOM 0 HG CYS A 13 -11.437 6.042 -4.277 1.00 0.00 H new ATOM 345 N GLN A 14 -9.989 4.586 -7.421 1.00 0.00 N ATOM 346 CA GLN A 14 -10.279 5.411 -8.589 1.00 0.00 C ATOM 347 C GLN A 14 -11.399 4.803 -9.425 1.00 0.00 C ATOM 348 O GLN A 14 -12.236 5.519 -9.974 1.00 0.00 O ATOM 349 CB GLN A 14 -9.022 5.581 -9.446 1.00 0.00 C ATOM 350 CG GLN A 14 -9.199 6.550 -10.600 1.00 0.00 C ATOM 351 CD GLN A 14 -8.100 6.429 -11.639 1.00 0.00 C ATOM 352 OE1 GLN A 14 -7.156 7.217 -11.653 1.00 0.00 O ATOM 353 NE2 GLN A 14 -8.221 5.439 -12.515 1.00 0.00 N ATOM 0 H GLN A 14 -9.044 4.203 -7.399 1.00 0.00 H new ATOM 0 HA GLN A 14 -10.606 6.389 -8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -8.205 5.928 -8.813 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -8.728 4.609 -9.841 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -10.164 6.371 -11.075 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -9.218 7.569 -10.214 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -9.022 4.809 -12.465 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.513 5.308 -13.238 1.00 0.00 H new ATOM 362 N GLU A 15 -11.408 3.477 -9.521 1.00 0.00 N ATOM 363 CA GLU A 15 -12.430 2.776 -10.291 1.00 0.00 C ATOM 364 C GLU A 15 -13.804 2.949 -9.653 1.00 0.00 C ATOM 365 O GLU A 15 -14.787 3.234 -10.337 1.00 0.00 O ATOM 366 CB GLU A 15 -12.084 1.288 -10.401 1.00 0.00 C ATOM 367 CG GLU A 15 -12.079 0.769 -11.829 1.00 0.00 C ATOM 368 CD GLU A 15 -12.799 -0.558 -11.973 1.00 0.00 C ATOM 369 OE1 GLU A 15 -12.190 -1.601 -11.649 1.00 0.00 O ATOM 370 OE2 GLU A 15 -13.969 -0.555 -12.407 1.00 0.00 O ATOM 0 H GLU A 15 -10.721 2.868 -9.077 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.459 3.208 -11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -11.103 1.118 -9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.802 0.712 -9.816 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -12.550 1.505 -12.480 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.049 0.657 -12.167 1.00 0.00 H new ATOM 377 N GLN A 16 -13.864 2.777 -8.337 1.00 0.00 N ATOM 378 CA GLN A 16 -15.117 2.915 -7.602 1.00 0.00 C ATOM 379 C GLN A 16 -15.604 4.361 -7.626 1.00 0.00 C ATOM 380 O GLN A 16 -16.803 4.622 -7.528 1.00 0.00 O ATOM 381 CB GLN A 16 -14.937 2.449 -6.156 1.00 0.00 C ATOM 382 CG GLN A 16 -15.274 0.983 -5.944 1.00 0.00 C ATOM 383 CD GLN A 16 -16.766 0.718 -5.964 1.00 0.00 C ATOM 384 OE1 GLN A 16 -17.501 1.174 -5.087 1.00 0.00 O ATOM 385 NE2 GLN A 16 -17.223 -0.022 -6.967 1.00 0.00 N ATOM 0 H GLN A 16 -13.059 2.542 -7.756 1.00 0.00 H new ATOM 0 HA GLN A 16 -15.866 2.290 -8.087 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -13.905 2.624 -5.852 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.567 3.056 -5.506 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -14.793 0.388 -6.720 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.863 0.654 -4.989 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -16.578 -0.379 -7.672 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -18.219 -0.233 -7.033 1.00 0.00 H new ATOM 394 N THR A 17 -14.667 5.295 -7.758 1.00 0.00 N ATOM 395 CA THR A 17 -15.000 6.715 -7.794 1.00 0.00 C ATOM 396 C THR A 17 -15.304 7.180 -9.218 1.00 0.00 C ATOM 397 O THR A 17 -15.471 8.376 -9.463 1.00 0.00 O ATOM 398 CB THR A 17 -13.850 7.538 -7.213 1.00 0.00 C ATOM 399 OG1 THR A 17 -12.601 6.999 -7.602 1.00 0.00 O ATOM 400 CG2 THR A 17 -13.868 7.606 -5.702 1.00 0.00 C ATOM 0 H THR A 17 -13.671 5.094 -7.842 1.00 0.00 H new ATOM 0 HA THR A 17 -15.895 6.865 -7.190 1.00 0.00 H new ATOM 0 HB THR A 17 -13.987 8.544 -7.609 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.241 6.449 -6.875 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.026 8.205 -5.355 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.800 8.063 -5.369 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.791 6.599 -5.292 1.00 0.00 H new ATOM 408 N ALA A 18 -15.376 6.238 -10.154 1.00 0.00 N ATOM 409 CA ALA A 18 -15.660 6.566 -11.547 1.00 0.00 C ATOM 410 C ALA A 18 -17.157 6.751 -11.772 1.00 0.00 C ATOM 411 O ALA A 18 -17.977 6.065 -11.161 1.00 0.00 O ATOM 412 CB ALA A 18 -15.115 5.482 -12.465 1.00 0.00 C ATOM 0 H ALA A 18 -15.242 5.243 -9.973 1.00 0.00 H new ATOM 0 HA ALA A 18 -15.165 7.508 -11.782 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -15.334 5.739 -13.501 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -14.036 5.400 -12.331 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -15.584 4.529 -12.221 1.00 0.00 H new ATOM 418 N GLY A 19 -17.507 7.681 -12.655 1.00 0.00 N ATOM 419 CA GLY A 19 -18.905 7.939 -12.947 1.00 0.00 C ATOM 420 C GLY A 19 -19.258 9.411 -12.859 1.00 0.00 C ATOM 421 O GLY A 19 -20.243 9.856 -13.450 1.00 0.00 O ATOM 0 H GLY A 19 -16.847 8.261 -13.174 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -19.137 7.573 -13.947 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -19.527 7.378 -12.250 1.00 0.00 H new ATOM 425 N TYR A 20 -18.454 10.172 -12.122 1.00 0.00 N ATOM 426 CA TYR A 20 -18.689 11.602 -11.961 1.00 0.00 C ATOM 427 C TYR A 20 -17.928 12.402 -13.020 1.00 0.00 C ATOM 428 O TYR A 20 -16.743 12.158 -13.250 1.00 0.00 O ATOM 429 CB TYR A 20 -18.261 12.053 -10.563 1.00 0.00 C ATOM 430 CG TYR A 20 -18.760 11.150 -9.457 1.00 0.00 C ATOM 431 CD1 TYR A 20 -18.135 9.938 -9.187 1.00 0.00 C ATOM 432 CD2 TYR A 20 -19.855 11.508 -8.681 1.00 0.00 C ATOM 433 CE1 TYR A 20 -18.587 9.110 -8.178 1.00 0.00 C ATOM 434 CE2 TYR A 20 -20.315 10.685 -7.671 1.00 0.00 C ATOM 435 CZ TYR A 20 -19.677 9.488 -7.423 1.00 0.00 C ATOM 436 OH TYR A 20 -20.132 8.664 -6.419 1.00 0.00 O ATOM 0 H TYR A 20 -17.634 9.821 -11.627 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.756 11.787 -12.087 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -17.173 12.097 -10.522 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -18.628 13.064 -10.388 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.281 9.639 -9.776 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -20.356 12.446 -8.870 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -18.089 8.172 -7.982 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -21.170 10.978 -7.079 1.00 0.00 H new ATOM 0 HH TYR A 20 -19.373 8.203 -6.005 1.00 0.00 H new ATOM 446 N PRO A 21 -18.597 13.365 -13.685 1.00 0.00 N ATOM 447 CA PRO A 21 -17.968 14.193 -14.724 1.00 0.00 C ATOM 448 C PRO A 21 -16.880 15.104 -14.160 1.00 0.00 C ATOM 449 O PRO A 21 -16.992 16.330 -14.212 1.00 0.00 O ATOM 450 CB PRO A 21 -19.129 15.030 -15.284 1.00 0.00 C ATOM 451 CG PRO A 21 -20.372 14.369 -14.792 1.00 0.00 C ATOM 452 CD PRO A 21 -20.010 13.724 -13.489 1.00 0.00 C ATOM 0 HA PRO A 21 -17.470 13.582 -15.477 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -19.071 16.062 -14.939 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -19.104 15.056 -16.373 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -21.173 15.096 -14.658 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -20.729 13.629 -15.508 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -20.141 14.407 -12.649 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -20.626 12.848 -13.287 1.00 0.00 H new ATOM 460 N GLY A 22 -15.829 14.500 -13.618 1.00 0.00 N ATOM 461 CA GLY A 22 -14.738 15.268 -13.051 1.00 0.00 C ATOM 462 C GLY A 22 -14.047 14.531 -11.924 1.00 0.00 C ATOM 463 O GLY A 22 -13.706 15.125 -10.901 1.00 0.00 O ATOM 0 H GLY A 22 -15.713 13.488 -13.561 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -14.013 15.497 -13.832 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -15.119 16.220 -12.681 1.00 0.00 H new ATOM 467 N VAL A 23 -13.843 13.231 -12.110 1.00 0.00 N ATOM 468 CA VAL A 23 -13.191 12.410 -11.102 1.00 0.00 C ATOM 469 C VAL A 23 -11.682 12.380 -11.308 1.00 0.00 C ATOM 470 O VAL A 23 -11.194 11.963 -12.359 1.00 0.00 O ATOM 471 CB VAL A 23 -13.735 10.967 -11.109 1.00 0.00 C ATOM 472 CG1 VAL A 23 -13.423 10.275 -12.429 1.00 0.00 C ATOM 473 CG2 VAL A 23 -13.170 10.177 -9.939 1.00 0.00 C ATOM 0 H VAL A 23 -14.121 12.725 -12.951 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.411 12.864 -10.136 1.00 0.00 H new ATOM 0 HB VAL A 23 -14.819 11.012 -11.001 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.817 9.259 -12.409 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.885 10.827 -13.247 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.344 10.243 -12.577 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -13.565 9.161 -9.961 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.083 10.145 -10.013 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -13.456 10.658 -9.003 1.00 0.00 H new ATOM 483 N HIS A 24 -10.948 12.825 -10.296 1.00 0.00 N ATOM 484 CA HIS A 24 -9.492 12.850 -10.357 1.00 0.00 C ATOM 485 C HIS A 24 -8.892 12.198 -9.115 1.00 0.00 C ATOM 486 O HIS A 24 -8.451 12.883 -8.192 1.00 0.00 O ATOM 487 CB HIS A 24 -8.991 14.290 -10.493 1.00 0.00 C ATOM 488 CG HIS A 24 -7.945 14.460 -11.551 1.00 0.00 C ATOM 489 ND1 HIS A 24 -6.593 14.480 -11.277 1.00 0.00 N ATOM 490 CD2 HIS A 24 -8.058 14.619 -12.891 1.00 0.00 C ATOM 491 CE1 HIS A 24 -5.920 14.643 -12.403 1.00 0.00 C ATOM 492 NE2 HIS A 24 -6.786 14.729 -13.397 1.00 0.00 N ATOM 0 H HIS A 24 -11.338 13.174 -9.421 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.174 12.284 -11.232 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.836 14.940 -10.720 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -8.585 14.617 -9.536 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.977 14.653 -13.457 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -4.845 14.697 -12.495 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -6.548 14.856 -14.381 1.00 0.00 H new ATOM 501 N VAL A 25 -8.880 10.869 -9.099 1.00 0.00 N ATOM 502 CA VAL A 25 -8.339 10.123 -7.971 1.00 0.00 C ATOM 503 C VAL A 25 -7.085 9.352 -8.369 1.00 0.00 C ATOM 504 O VAL A 25 -7.159 8.189 -8.765 1.00 0.00 O ATOM 505 CB VAL A 25 -9.376 9.136 -7.401 1.00 0.00 C ATOM 506 CG1 VAL A 25 -8.853 8.482 -6.132 1.00 0.00 C ATOM 507 CG2 VAL A 25 -10.700 9.840 -7.141 1.00 0.00 C ATOM 0 H VAL A 25 -9.239 10.287 -9.856 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.083 10.854 -7.204 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.547 8.353 -8.140 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.600 7.789 -5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.935 7.939 -6.355 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.649 9.249 -5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -11.419 9.126 -6.739 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.549 10.646 -6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.082 10.253 -8.075 1.00 0.00 H new ATOM 517 N SER A 26 -5.935 10.007 -8.257 1.00 0.00 N ATOM 518 CA SER A 26 -4.662 9.383 -8.602 1.00 0.00 C ATOM 519 C SER A 26 -3.525 9.961 -7.762 1.00 0.00 C ATOM 520 O SER A 26 -2.358 9.889 -8.148 1.00 0.00 O ATOM 521 CB SER A 26 -4.362 9.574 -10.090 1.00 0.00 C ATOM 522 OG SER A 26 -3.627 8.477 -10.606 1.00 0.00 O ATOM 0 H SER A 26 -5.857 10.970 -7.930 1.00 0.00 H new ATOM 0 HA SER A 26 -4.740 8.317 -8.389 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.296 9.682 -10.642 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.797 10.495 -10.235 1.00 0.00 H new ATOM 0 HG SER A 26 -3.449 8.622 -11.559 1.00 0.00 H new ATOM 528 N ASP A 27 -3.874 10.529 -6.613 1.00 0.00 N ATOM 529 CA ASP A 27 -2.885 11.115 -5.715 1.00 0.00 C ATOM 530 C ASP A 27 -3.200 10.763 -4.265 1.00 0.00 C ATOM 531 O ASP A 27 -4.363 10.594 -3.897 1.00 0.00 O ATOM 532 CB ASP A 27 -2.840 12.634 -5.887 1.00 0.00 C ATOM 533 CG ASP A 27 -2.808 13.052 -7.345 1.00 0.00 C ATOM 534 OD1 ASP A 27 -1.948 12.537 -8.090 1.00 0.00 O ATOM 535 OD2 ASP A 27 -3.640 13.895 -7.740 1.00 0.00 O ATOM 0 H ASP A 27 -4.836 10.596 -6.281 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.908 10.703 -5.969 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.711 13.077 -5.404 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.959 13.028 -5.380 1.00 0.00 H new ATOM 540 N LEU A 28 -2.164 10.647 -3.446 1.00 0.00 N ATOM 541 CA LEU A 28 -2.339 10.312 -2.039 1.00 0.00 C ATOM 542 C LEU A 28 -2.291 11.563 -1.168 1.00 0.00 C ATOM 543 O LEU A 28 -1.739 11.543 -0.068 1.00 0.00 O ATOM 544 CB LEU A 28 -1.262 9.321 -1.593 1.00 0.00 C ATOM 545 CG LEU A 28 -1.256 7.990 -2.346 1.00 0.00 C ATOM 546 CD1 LEU A 28 0.127 7.358 -2.303 1.00 0.00 C ATOM 547 CD2 LEU A 28 -2.294 7.044 -1.765 1.00 0.00 C ATOM 0 H LEU A 28 -1.194 10.780 -3.731 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.319 9.851 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.286 9.792 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.393 9.119 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.512 8.183 -3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.112 6.412 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.849 8.030 -2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.413 7.179 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.275 6.102 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.069 6.857 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.283 7.493 -1.849 1.00 0.00 H new ATOM 559 N SER A 29 -2.876 12.651 -1.664 1.00 0.00 N ATOM 560 CA SER A 29 -2.896 13.906 -0.921 1.00 0.00 C ATOM 561 C SER A 29 -3.751 14.958 -1.629 1.00 0.00 C ATOM 562 O SER A 29 -4.904 15.182 -1.263 1.00 0.00 O ATOM 563 CB SER A 29 -1.472 14.430 -0.728 1.00 0.00 C ATOM 564 OG SER A 29 -1.473 15.805 -0.383 1.00 0.00 O ATOM 0 H SER A 29 -3.340 12.688 -2.572 1.00 0.00 H new ATOM 0 HA SER A 29 -3.341 13.710 0.055 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.974 13.857 0.054 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.900 14.283 -1.644 1.00 0.00 H new ATOM 0 HG SER A 29 -0.792 15.971 0.302 1.00 0.00 H new ATOM 570 N SER A 30 -3.173 15.607 -2.637 1.00 0.00 N ATOM 571 CA SER A 30 -3.877 16.643 -3.389 1.00 0.00 C ATOM 572 C SER A 30 -5.190 16.123 -3.971 1.00 0.00 C ATOM 573 O SER A 30 -6.123 16.892 -4.198 1.00 0.00 O ATOM 574 CB SER A 30 -2.986 17.175 -4.514 1.00 0.00 C ATOM 575 OG SER A 30 -3.443 18.434 -4.976 1.00 0.00 O ATOM 0 H SER A 30 -2.218 15.434 -2.952 1.00 0.00 H new ATOM 0 HA SER A 30 -4.112 17.451 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.960 17.266 -4.157 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.974 16.464 -5.340 1.00 0.00 H new ATOM 0 HG SER A 30 -2.856 18.752 -5.693 1.00 0.00 H new ATOM 581 N SER A 31 -5.257 14.818 -4.209 1.00 0.00 N ATOM 582 CA SER A 31 -6.459 14.208 -4.768 1.00 0.00 C ATOM 583 C SER A 31 -7.609 14.250 -3.766 1.00 0.00 C ATOM 584 O SER A 31 -8.776 14.327 -4.152 1.00 0.00 O ATOM 585 CB SER A 31 -6.182 12.762 -5.177 1.00 0.00 C ATOM 586 OG SER A 31 -7.385 12.073 -5.465 1.00 0.00 O ATOM 0 H SER A 31 -4.497 14.164 -4.025 1.00 0.00 H new ATOM 0 HA SER A 31 -6.746 14.780 -5.650 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.532 12.747 -6.052 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.649 12.250 -4.376 1.00 0.00 H new ATOM 0 HG SER A 31 -7.270 11.119 -5.273 1.00 0.00 H new ATOM 592 N TRP A 32 -7.274 14.196 -2.483 1.00 0.00 N ATOM 593 CA TRP A 32 -8.283 14.224 -1.430 1.00 0.00 C ATOM 594 C TRP A 32 -8.449 15.631 -0.853 1.00 0.00 C ATOM 595 O TRP A 32 -9.051 15.807 0.205 1.00 0.00 O ATOM 596 CB TRP A 32 -7.911 13.246 -0.315 1.00 0.00 C ATOM 597 CG TRP A 32 -7.601 11.869 -0.814 1.00 0.00 C ATOM 598 CD1 TRP A 32 -6.511 11.486 -1.543 1.00 0.00 C ATOM 599 CD2 TRP A 32 -8.389 10.688 -0.622 1.00 0.00 C ATOM 600 NE1 TRP A 32 -6.575 10.142 -1.817 1.00 0.00 N ATOM 601 CE2 TRP A 32 -7.719 9.629 -1.262 1.00 0.00 C ATOM 602 CE3 TRP A 32 -9.599 10.424 0.030 1.00 0.00 C ATOM 603 CZ2 TRP A 32 -8.217 8.328 -1.269 1.00 0.00 C ATOM 604 CZ3 TRP A 32 -10.091 9.132 0.021 1.00 0.00 C ATOM 605 CH2 TRP A 32 -9.401 8.098 -0.624 1.00 0.00 C ATOM 0 H TRP A 32 -6.313 14.133 -2.146 1.00 0.00 H new ATOM 0 HA TRP A 32 -9.233 13.924 -1.872 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.046 13.633 0.224 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -8.733 13.190 0.399 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -5.715 12.144 -1.858 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -5.884 9.611 -2.347 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -10.138 11.215 0.531 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -7.687 7.529 -1.766 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -11.024 8.916 0.520 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -9.812 7.099 -0.612 1.00 0.00 H new ATOM 616 N ALA A 33 -7.913 16.629 -1.553 1.00 0.00 N ATOM 617 CA ALA A 33 -8.010 18.013 -1.102 1.00 0.00 C ATOM 618 C ALA A 33 -9.461 18.409 -0.848 1.00 0.00 C ATOM 619 O ALA A 33 -9.819 18.820 0.256 1.00 0.00 O ATOM 620 CB ALA A 33 -7.376 18.948 -2.121 1.00 0.00 C ATOM 0 H ALA A 33 -7.409 16.505 -2.431 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.468 18.099 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.456 19.977 -1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -6.325 18.689 -2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.892 18.849 -3.076 1.00 0.00 H new ATOM 626 N ASP A 34 -10.294 18.277 -1.877 1.00 0.00 N ATOM 627 CA ASP A 34 -11.708 18.617 -1.762 1.00 0.00 C ATOM 628 C ASP A 34 -12.521 17.435 -1.231 1.00 0.00 C ATOM 629 O ASP A 34 -13.736 17.537 -1.063 1.00 0.00 O ATOM 630 CB ASP A 34 -12.258 19.063 -3.119 1.00 0.00 C ATOM 631 CG ASP A 34 -11.947 18.070 -4.223 1.00 0.00 C ATOM 632 OD1 ASP A 34 -11.812 16.867 -3.918 1.00 0.00 O ATOM 633 OD2 ASP A 34 -11.838 18.496 -5.392 1.00 0.00 O ATOM 0 H ASP A 34 -10.015 17.938 -2.797 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.798 19.438 -1.051 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.338 19.194 -3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -11.836 20.034 -3.378 1.00 0.00 H new ATOM 638 N GLY A 35 -11.847 16.315 -0.968 1.00 0.00 N ATOM 639 CA GLY A 35 -12.534 15.141 -0.459 1.00 0.00 C ATOM 640 C GLY A 35 -13.425 14.492 -1.500 1.00 0.00 C ATOM 641 O GLY A 35 -14.510 14.008 -1.183 1.00 0.00 O ATOM 0 H GLY A 35 -10.842 16.202 -1.098 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.798 14.415 -0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.136 15.422 0.405 1.00 0.00 H new ATOM 645 N LEU A 36 -12.967 14.487 -2.748 1.00 0.00 N ATOM 646 CA LEU A 36 -13.731 13.899 -3.842 1.00 0.00 C ATOM 647 C LEU A 36 -13.683 12.373 -3.796 1.00 0.00 C ATOM 648 O LEU A 36 -14.664 11.703 -4.124 1.00 0.00 O ATOM 649 CB LEU A 36 -13.199 14.400 -5.189 1.00 0.00 C ATOM 650 CG LEU A 36 -14.127 15.362 -5.932 1.00 0.00 C ATOM 651 CD1 LEU A 36 -15.414 14.657 -6.333 1.00 0.00 C ATOM 652 CD2 LEU A 36 -14.428 16.584 -5.074 1.00 0.00 C ATOM 0 H LEU A 36 -12.070 14.884 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 36 -14.770 14.209 -3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.243 14.896 -5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -13.005 13.539 -5.829 1.00 0.00 H new ATOM 0 HG LEU A 36 -13.623 15.697 -6.839 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.063 15.356 -6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.180 13.816 -6.986 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -15.923 14.293 -5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.090 17.257 -5.619 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.912 16.269 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.498 17.101 -4.839 1.00 0.00 H new ATOM 664 N ALA A 37 -12.542 11.827 -3.394 1.00 0.00 N ATOM 665 CA ALA A 37 -12.375 10.378 -3.314 1.00 0.00 C ATOM 666 C ALA A 37 -13.286 9.774 -2.250 1.00 0.00 C ATOM 667 O ALA A 37 -13.974 8.782 -2.497 1.00 0.00 O ATOM 668 CB ALA A 37 -10.923 10.030 -3.027 1.00 0.00 C ATOM 0 H ALA A 37 -11.719 12.363 -3.118 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.657 9.953 -4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.813 8.947 -2.970 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.291 10.417 -3.826 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.623 10.476 -2.079 1.00 0.00 H new ATOM 674 N LEU A 38 -13.291 10.382 -1.068 1.00 0.00 N ATOM 675 CA LEU A 38 -14.121 9.903 0.030 1.00 0.00 C ATOM 676 C LEU A 38 -15.597 10.151 -0.263 1.00 0.00 C ATOM 677 O LEU A 38 -16.453 9.322 0.048 1.00 0.00 O ATOM 678 CB LEU A 38 -13.721 10.593 1.338 1.00 0.00 C ATOM 679 CG LEU A 38 -13.087 9.675 2.385 1.00 0.00 C ATOM 680 CD1 LEU A 38 -12.164 10.466 3.299 1.00 0.00 C ATOM 681 CD2 LEU A 38 -14.164 8.968 3.194 1.00 0.00 C ATOM 0 H LEU A 38 -12.731 11.205 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 38 -13.965 8.829 0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.020 11.396 1.108 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -14.607 11.057 1.772 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.494 8.920 1.869 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.722 9.797 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -11.373 10.926 2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.735 11.242 3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -13.696 8.319 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.783 9.708 3.700 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -14.785 8.369 2.528 1.00 0.00 H new ATOM 693 N CYS A 39 -15.883 11.297 -0.867 1.00 0.00 N ATOM 694 CA CYS A 39 -17.253 11.662 -1.209 1.00 0.00 C ATOM 695 C CYS A 39 -17.804 10.744 -2.296 1.00 0.00 C ATOM 696 O CYS A 39 -18.908 10.214 -2.175 1.00 0.00 O ATOM 697 CB CYS A 39 -17.309 13.115 -1.678 1.00 0.00 C ATOM 698 SG CYS A 39 -17.536 14.312 -0.342 1.00 0.00 S ATOM 0 H CYS A 39 -15.184 11.991 -1.131 1.00 0.00 H new ATOM 0 HA CYS A 39 -17.869 11.549 -0.317 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -16.387 13.350 -2.210 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -18.125 13.224 -2.392 1.00 0.00 H new ATOM 0 HG CYS A 39 -16.382 14.804 0.000 1.00 0.00 H new ATOM 704 N ALA A 40 -17.024 10.560 -3.357 1.00 0.00 N ATOM 705 CA ALA A 40 -17.430 9.707 -4.468 1.00 0.00 C ATOM 706 C ALA A 40 -17.777 8.301 -3.987 1.00 0.00 C ATOM 707 O ALA A 40 -18.751 7.702 -4.442 1.00 0.00 O ATOM 708 CB ALA A 40 -16.330 9.650 -5.517 1.00 0.00 C ATOM 0 H ALA A 40 -16.106 10.991 -3.470 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.325 10.139 -4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.646 9.010 -6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.133 10.654 -5.892 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -15.422 9.245 -5.070 1.00 0.00 H new ATOM 714 N LEU A 41 -16.977 7.782 -3.061 1.00 0.00 N ATOM 715 CA LEU A 41 -17.204 6.447 -2.519 1.00 0.00 C ATOM 716 C LEU A 41 -18.543 6.374 -1.793 1.00 0.00 C ATOM 717 O LEU A 41 -19.348 5.474 -2.042 1.00 0.00 O ATOM 718 CB LEU A 41 -16.071 6.060 -1.566 1.00 0.00 C ATOM 719 CG LEU A 41 -14.689 5.947 -2.212 1.00 0.00 C ATOM 720 CD1 LEU A 41 -13.597 6.213 -1.188 1.00 0.00 C ATOM 721 CD2 LEU A 41 -14.508 4.574 -2.843 1.00 0.00 C ATOM 0 H LEU A 41 -16.167 8.264 -2.671 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.225 5.744 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.022 6.799 -0.766 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.317 5.105 -1.103 1.00 0.00 H new ATOM 0 HG LEU A 41 -14.613 6.700 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.621 6.128 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.716 7.218 -0.782 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -13.670 5.484 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.520 4.510 -3.298 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -14.605 3.806 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -15.270 4.422 -3.607 1.00 0.00 H new ATOM 733 N VAL A 42 -18.779 7.326 -0.897 1.00 0.00 N ATOM 734 CA VAL A 42 -20.023 7.368 -0.136 1.00 0.00 C ATOM 735 C VAL A 42 -21.227 7.516 -1.059 1.00 0.00 C ATOM 736 O VAL A 42 -22.205 6.777 -0.942 1.00 0.00 O ATOM 737 CB VAL A 42 -20.020 8.527 0.882 1.00 0.00 C ATOM 738 CG1 VAL A 42 -21.284 8.500 1.729 1.00 0.00 C ATOM 739 CG2 VAL A 42 -18.780 8.462 1.762 1.00 0.00 C ATOM 0 H VAL A 42 -18.126 8.079 -0.680 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.098 6.423 0.403 1.00 0.00 H new ATOM 0 HB VAL A 42 -19.999 9.468 0.332 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -21.263 9.325 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -22.157 8.600 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -21.339 7.555 2.270 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.795 9.287 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.767 7.516 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.888 8.536 1.140 1.00 0.00 H new ATOM 749 N TYR A 43 -21.150 8.473 -1.978 1.00 0.00 N ATOM 750 CA TYR A 43 -22.233 8.718 -2.924 1.00 0.00 C ATOM 751 C TYR A 43 -22.581 7.450 -3.697 1.00 0.00 C ATOM 752 O TYR A 43 -23.749 7.184 -3.979 1.00 0.00 O ATOM 753 CB TYR A 43 -21.845 9.830 -3.900 1.00 0.00 C ATOM 754 CG TYR A 43 -22.988 10.297 -4.772 1.00 0.00 C ATOM 755 CD1 TYR A 43 -23.926 11.204 -4.294 1.00 0.00 C ATOM 756 CD2 TYR A 43 -23.132 9.829 -6.072 1.00 0.00 C ATOM 757 CE1 TYR A 43 -24.972 11.632 -5.087 1.00 0.00 C ATOM 758 CE2 TYR A 43 -24.175 10.253 -6.872 1.00 0.00 C ATOM 759 CZ TYR A 43 -25.093 11.155 -6.374 1.00 0.00 C ATOM 760 OH TYR A 43 -26.134 11.579 -7.168 1.00 0.00 O ATOM 0 H TYR A 43 -20.347 9.093 -2.088 1.00 0.00 H new ATOM 0 HA TYR A 43 -23.110 9.029 -2.357 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -21.460 10.679 -3.336 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -21.034 9.476 -4.537 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -23.835 11.580 -3.286 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -22.416 9.122 -6.464 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -25.692 12.338 -4.700 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -24.272 9.881 -7.881 1.00 0.00 H new ATOM 0 HH TYR A 43 -26.072 11.148 -8.046 1.00 0.00 H new ATOM 770 N ARG A 44 -21.559 6.671 -4.039 1.00 0.00 N ATOM 771 CA ARG A 44 -21.759 5.432 -4.780 1.00 0.00 C ATOM 772 C ARG A 44 -22.591 4.444 -3.968 1.00 0.00 C ATOM 773 O ARG A 44 -23.495 3.797 -4.498 1.00 0.00 O ATOM 774 CB ARG A 44 -20.408 4.808 -5.145 1.00 0.00 C ATOM 775 CG ARG A 44 -20.121 4.809 -6.638 1.00 0.00 C ATOM 776 CD ARG A 44 -19.575 3.469 -7.107 1.00 0.00 C ATOM 777 NE ARG A 44 -20.639 2.494 -7.338 1.00 0.00 N ATOM 778 CZ ARG A 44 -20.970 1.528 -6.481 1.00 0.00 C ATOM 779 NH1 ARG A 44 -20.327 1.396 -5.327 1.00 0.00 N ATOM 780 NH2 ARG A 44 -21.954 0.690 -6.781 1.00 0.00 N ATOM 0 H ARG A 44 -20.585 6.876 -3.815 1.00 0.00 H new ATOM 0 HA ARG A 44 -22.300 5.666 -5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -19.615 5.351 -4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -20.380 3.782 -4.779 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -21.035 5.041 -7.184 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -19.403 5.596 -6.870 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -19.007 3.611 -8.027 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -18.882 3.079 -6.362 1.00 0.00 H new ATOM 0 HE ARG A 44 -21.162 2.557 -8.211 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -19.571 2.038 -5.088 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -20.589 0.653 -4.679 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -22.454 0.786 -7.665 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -22.210 -0.050 -6.128 1.00 0.00 H new ATOM 794 N LEU A 45 -22.283 4.335 -2.681 1.00 0.00 N ATOM 795 CA LEU A 45 -23.006 3.428 -1.797 1.00 0.00 C ATOM 796 C LEU A 45 -24.386 3.989 -1.458 1.00 0.00 C ATOM 797 O LEU A 45 -25.371 3.254 -1.410 1.00 0.00 O ATOM 798 CB LEU A 45 -22.208 3.187 -0.515 1.00 0.00 C ATOM 799 CG LEU A 45 -21.217 2.024 -0.580 1.00 0.00 C ATOM 800 CD1 LEU A 45 -21.955 0.696 -0.644 1.00 0.00 C ATOM 801 CD2 LEU A 45 -20.291 2.181 -1.778 1.00 0.00 C ATOM 0 H LEU A 45 -21.538 4.863 -2.226 1.00 0.00 H new ATOM 0 HA LEU A 45 -23.137 2.478 -2.316 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -21.661 4.097 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.907 3.004 0.301 1.00 0.00 H new ATOM 0 HG LEU A 45 -20.612 2.035 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -21.233 -0.120 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.576 0.582 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -22.586 0.673 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -19.592 1.345 -1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -20.881 2.196 -2.694 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -19.736 3.115 -1.689 1.00 0.00 H new ATOM 813 N GLN A 46 -24.444 5.296 -1.228 1.00 0.00 N ATOM 814 CA GLN A 46 -25.700 5.961 -0.898 1.00 0.00 C ATOM 815 C GLN A 46 -25.751 7.353 -1.523 1.00 0.00 C ATOM 816 O GLN A 46 -25.526 8.356 -0.844 1.00 0.00 O ATOM 817 CB GLN A 46 -25.868 6.059 0.621 1.00 0.00 C ATOM 818 CG GLN A 46 -26.835 5.037 1.193 1.00 0.00 C ATOM 819 CD GLN A 46 -26.399 4.515 2.547 1.00 0.00 C ATOM 820 OE1 GLN A 46 -25.578 3.603 2.638 1.00 0.00 O ATOM 821 NE2 GLN A 46 -26.948 5.092 3.609 1.00 0.00 N ATOM 0 H GLN A 46 -23.635 5.917 -1.264 1.00 0.00 H new ATOM 0 HA GLN A 46 -26.519 5.368 -1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -24.895 5.931 1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -26.217 7.060 0.876 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -27.823 5.488 1.283 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -26.928 4.202 0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -27.625 5.845 3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -26.693 4.782 4.547 1.00 0.00 H new ATOM 830 N PRO A 47 -26.048 7.433 -2.831 1.00 0.00 N ATOM 831 CA PRO A 47 -26.123 8.709 -3.547 1.00 0.00 C ATOM 832 C PRO A 47 -27.358 9.517 -3.166 1.00 0.00 C ATOM 833 O PRO A 47 -27.348 10.747 -3.222 1.00 0.00 O ATOM 834 CB PRO A 47 -26.195 8.286 -5.015 1.00 0.00 C ATOM 835 CG PRO A 47 -26.807 6.929 -4.986 1.00 0.00 C ATOM 836 CD PRO A 47 -26.329 6.284 -3.715 1.00 0.00 C ATOM 0 HA PRO A 47 -25.277 9.357 -3.315 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -26.799 8.981 -5.598 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -25.205 8.265 -5.470 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -27.895 6.992 -5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -26.505 6.346 -5.856 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.086 5.626 -3.289 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.438 5.679 -3.882 1.00 0.00 H new ATOM 844 N GLY A 48 -28.417 8.818 -2.778 1.00 0.00 N ATOM 845 CA GLY A 48 -29.645 9.486 -2.393 1.00 0.00 C ATOM 846 C GLY A 48 -29.512 10.238 -1.085 1.00 0.00 C ATOM 847 O GLY A 48 -30.116 11.295 -0.904 1.00 0.00 O ATOM 0 H GLY A 48 -28.447 7.800 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -29.938 10.181 -3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -30.443 8.749 -2.305 1.00 0.00 H new ATOM 851 N LEU A 49 -28.720 9.690 -0.167 1.00 0.00 N ATOM 852 CA LEU A 49 -28.515 10.315 1.134 1.00 0.00 C ATOM 853 C LEU A 49 -27.252 11.173 1.147 1.00 0.00 C ATOM 854 O LEU A 49 -26.690 11.447 2.208 1.00 0.00 O ATOM 855 CB LEU A 49 -28.435 9.246 2.228 1.00 0.00 C ATOM 856 CG LEU A 49 -29.598 9.247 3.221 1.00 0.00 C ATOM 857 CD1 LEU A 49 -29.422 8.141 4.250 1.00 0.00 C ATOM 858 CD2 LEU A 49 -29.712 10.601 3.904 1.00 0.00 C ATOM 0 H LEU A 49 -28.211 8.816 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 49 -29.367 10.966 1.330 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -28.383 8.266 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -27.505 9.382 2.781 1.00 0.00 H new ATOM 0 HG LEU A 49 -30.521 9.060 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -30.259 8.157 4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -29.389 7.176 3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -28.491 8.296 4.796 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -30.544 10.585 4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -28.788 10.817 4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -29.885 11.373 3.154 1.00 0.00 H new ATOM 870 N LEU A 50 -26.805 11.597 -0.033 1.00 0.00 N ATOM 871 CA LEU A 50 -25.606 12.424 -0.138 1.00 0.00 C ATOM 872 C LEU A 50 -25.740 13.450 -1.259 1.00 0.00 C ATOM 873 O LEU A 50 -26.628 13.352 -2.106 1.00 0.00 O ATOM 874 CB LEU A 50 -24.375 11.544 -0.373 1.00 0.00 C ATOM 875 CG LEU A 50 -23.305 11.623 0.716 1.00 0.00 C ATOM 876 CD1 LEU A 50 -23.778 10.928 1.983 1.00 0.00 C ATOM 877 CD2 LEU A 50 -22.001 11.013 0.226 1.00 0.00 C ATOM 0 H LEU A 50 -27.252 11.383 -0.925 1.00 0.00 H new ATOM 0 HA LEU A 50 -25.485 12.963 0.802 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -24.701 10.508 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -23.924 11.824 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 50 -23.128 12.673 0.948 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -23.002 10.995 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -24.686 11.410 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -23.985 9.880 1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -21.250 11.078 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -22.164 9.967 -0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -21.653 11.556 -0.652 1.00 0.00 H new ATOM 889 N GLU A 51 -24.844 14.431 -1.257 1.00 0.00 N ATOM 890 CA GLU A 51 -24.842 15.480 -2.272 1.00 0.00 C ATOM 891 C GLU A 51 -23.453 16.111 -2.388 1.00 0.00 C ATOM 892 O GLU A 51 -23.311 17.336 -2.368 1.00 0.00 O ATOM 893 CB GLU A 51 -25.883 16.551 -1.933 1.00 0.00 C ATOM 894 CG GLU A 51 -27.225 16.332 -2.613 1.00 0.00 C ATOM 895 CD GLU A 51 -27.140 16.430 -4.124 1.00 0.00 C ATOM 896 OE1 GLU A 51 -26.010 16.469 -4.655 1.00 0.00 O ATOM 897 OE2 GLU A 51 -28.204 16.469 -4.777 1.00 0.00 O ATOM 0 H GLU A 51 -24.105 14.522 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 51 -25.101 15.032 -3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -26.031 16.573 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -25.494 17.528 -2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -27.611 15.350 -2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -27.938 17.069 -2.245 1.00 0.00 H new ATOM 904 N PRO A 52 -22.405 15.276 -2.511 1.00 0.00 N ATOM 905 CA PRO A 52 -21.023 15.751 -2.626 1.00 0.00 C ATOM 906 C PRO A 52 -20.813 16.661 -3.828 1.00 0.00 C ATOM 907 O PRO A 52 -19.835 17.406 -3.886 1.00 0.00 O ATOM 908 CB PRO A 52 -20.201 14.465 -2.778 1.00 0.00 C ATOM 909 CG PRO A 52 -21.182 13.422 -3.191 1.00 0.00 C ATOM 910 CD PRO A 52 -22.481 13.807 -2.550 1.00 0.00 C ATOM 0 HA PRO A 52 -20.737 16.352 -1.763 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -19.416 14.585 -3.525 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.712 14.197 -1.841 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.278 13.383 -4.276 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -20.862 12.433 -2.863 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -23.336 13.462 -3.131 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -22.581 13.381 -1.552 1.00 0.00 H new ATOM 918 N SER A 53 -21.733 16.605 -4.786 1.00 0.00 N ATOM 919 CA SER A 53 -21.635 17.438 -5.977 1.00 0.00 C ATOM 920 C SER A 53 -21.503 18.904 -5.589 1.00 0.00 C ATOM 921 O SER A 53 -20.676 19.633 -6.136 1.00 0.00 O ATOM 922 CB SER A 53 -22.858 17.238 -6.872 1.00 0.00 C ATOM 923 OG SER A 53 -22.902 15.922 -7.393 1.00 0.00 O ATOM 0 H SER A 53 -22.550 15.995 -4.761 1.00 0.00 H new ATOM 0 HA SER A 53 -20.745 17.141 -6.532 1.00 0.00 H new ATOM 0 HB2 SER A 53 -23.765 17.437 -6.302 1.00 0.00 H new ATOM 0 HB3 SER A 53 -22.833 17.956 -7.692 1.00 0.00 H new ATOM 0 HG SER A 53 -23.695 15.821 -7.960 1.00 0.00 H new ATOM 929 N GLU A 54 -22.322 19.324 -4.634 1.00 0.00 N ATOM 930 CA GLU A 54 -22.298 20.700 -4.155 1.00 0.00 C ATOM 931 C GLU A 54 -21.043 20.963 -3.328 1.00 0.00 C ATOM 932 O GLU A 54 -20.327 21.938 -3.557 1.00 0.00 O ATOM 933 CB GLU A 54 -23.548 20.989 -3.319 1.00 0.00 C ATOM 934 CG GLU A 54 -24.617 21.766 -4.071 1.00 0.00 C ATOM 935 CD GLU A 54 -25.861 20.941 -4.338 1.00 0.00 C ATOM 936 OE1 GLU A 54 -26.205 20.096 -3.485 1.00 0.00 O ATOM 937 OE2 GLU A 54 -26.489 21.139 -5.399 1.00 0.00 O ATOM 0 H GLU A 54 -23.013 18.730 -4.175 1.00 0.00 H new ATOM 0 HA GLU A 54 -22.286 21.364 -5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -23.971 20.045 -2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.259 21.551 -2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -24.889 22.651 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -24.207 22.115 -5.019 1.00 0.00 H new ATOM 944 N LEU A 55 -20.784 20.082 -2.366 1.00 0.00 N ATOM 945 CA LEU A 55 -19.619 20.210 -1.494 1.00 0.00 C ATOM 946 C LEU A 55 -18.314 19.990 -2.259 1.00 0.00 C ATOM 947 O LEU A 55 -17.230 20.234 -1.726 1.00 0.00 O ATOM 948 CB LEU A 55 -19.715 19.207 -0.341 1.00 0.00 C ATOM 949 CG LEU A 55 -21.062 19.182 0.383 1.00 0.00 C ATOM 950 CD1 LEU A 55 -21.457 17.755 0.731 1.00 0.00 C ATOM 951 CD2 LEU A 55 -21.009 20.043 1.638 1.00 0.00 C ATOM 0 H LEU A 55 -21.367 19.269 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.612 21.226 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -19.509 18.209 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -18.934 19.434 0.384 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.818 19.593 -0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.418 17.759 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -21.537 17.166 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -20.700 17.316 1.380 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.976 20.014 2.141 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.240 19.661 2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.774 21.071 1.364 1.00 0.00 H new ATOM 963 N GLN A 56 -18.415 19.526 -3.500 1.00 0.00 N ATOM 964 CA GLN A 56 -17.233 19.274 -4.315 1.00 0.00 C ATOM 965 C GLN A 56 -16.431 20.553 -4.527 1.00 0.00 C ATOM 966 O GLN A 56 -15.200 20.535 -4.496 1.00 0.00 O ATOM 967 CB GLN A 56 -17.644 18.684 -5.667 1.00 0.00 C ATOM 968 CG GLN A 56 -16.472 18.422 -6.600 1.00 0.00 C ATOM 969 CD GLN A 56 -16.481 19.326 -7.817 1.00 0.00 C ATOM 970 OE1 GLN A 56 -16.066 20.483 -7.749 1.00 0.00 O ATOM 971 NE2 GLN A 56 -16.957 18.802 -8.941 1.00 0.00 N ATOM 0 H GLN A 56 -19.300 19.317 -3.962 1.00 0.00 H new ATOM 0 HA GLN A 56 -16.602 18.559 -3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.179 17.749 -5.498 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -18.340 19.366 -6.155 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.539 18.564 -6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -16.497 17.382 -6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -17.291 17.838 -8.953 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -16.989 19.363 -9.792 1.00 0.00 H new ATOM 980 N GLY A 57 -17.133 21.656 -4.739 1.00 0.00 N ATOM 981 CA GLY A 57 -16.468 22.927 -4.950 1.00 0.00 C ATOM 982 C GLY A 57 -16.883 23.984 -3.944 1.00 0.00 C ATOM 983 O GLY A 57 -16.280 25.055 -3.876 1.00 0.00 O ATOM 0 H GLY A 57 -18.152 21.695 -4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -15.389 22.781 -4.892 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -16.688 23.284 -5.956 1.00 0.00 H new ATOM 987 N LEU A 58 -17.917 23.690 -3.159 1.00 0.00 N ATOM 988 CA LEU A 58 -18.403 24.626 -2.154 1.00 0.00 C ATOM 989 C LEU A 58 -17.389 24.790 -1.027 1.00 0.00 C ATOM 990 O LEU A 58 -17.367 25.816 -0.345 1.00 0.00 O ATOM 991 CB LEU A 58 -19.745 24.151 -1.588 1.00 0.00 C ATOM 992 CG LEU A 58 -20.981 24.788 -2.231 1.00 0.00 C ATOM 993 CD1 LEU A 58 -22.036 23.733 -2.526 1.00 0.00 C ATOM 994 CD2 LEU A 58 -21.549 25.875 -1.330 1.00 0.00 C ATOM 0 H LEU A 58 -18.433 22.811 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 58 -18.544 25.595 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -19.809 23.069 -1.706 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.764 24.357 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.681 25.244 -3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -22.906 24.206 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.626 22.990 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -22.333 23.246 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.426 26.317 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.832 25.441 -0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -20.795 26.646 -1.171 1.00 0.00 H new ATOM 1006 N GLY A 59 -16.550 23.776 -0.833 1.00 0.00 N ATOM 1007 CA GLY A 59 -15.546 23.838 0.214 1.00 0.00 C ATOM 1008 C GLY A 59 -14.846 22.511 0.428 1.00 0.00 C ATOM 1009 O GLY A 59 -15.471 21.452 0.359 1.00 0.00 O ATOM 0 H GLY A 59 -16.548 22.915 -1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.807 24.598 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.017 24.151 1.146 1.00 0.00 H new ATOM 1013 N ALA A 60 -13.544 22.568 0.689 1.00 0.00 N ATOM 1014 CA ALA A 60 -12.758 21.362 0.915 1.00 0.00 C ATOM 1015 C ALA A 60 -13.030 20.784 2.299 1.00 0.00 C ATOM 1016 O ALA A 60 -13.471 19.641 2.431 1.00 0.00 O ATOM 1017 CB ALA A 60 -11.275 21.660 0.747 1.00 0.00 C ATOM 0 H ALA A 60 -13.012 23.436 0.749 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.054 20.619 0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.699 20.750 0.919 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.089 22.022 -0.264 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.973 22.421 1.466 1.00 0.00 H new ATOM 1023 N LEU A 61 -12.762 21.580 3.329 1.00 0.00 N ATOM 1024 CA LEU A 61 -12.978 21.147 4.705 1.00 0.00 C ATOM 1025 C LEU A 61 -14.446 20.817 4.947 1.00 0.00 C ATOM 1026 O LEU A 61 -14.771 19.874 5.669 1.00 0.00 O ATOM 1027 CB LEU A 61 -12.520 22.235 5.680 1.00 0.00 C ATOM 1028 CG LEU A 61 -11.901 21.720 6.980 1.00 0.00 C ATOM 1029 CD1 LEU A 61 -12.867 20.789 7.698 1.00 0.00 C ATOM 1030 CD2 LEU A 61 -10.584 21.011 6.699 1.00 0.00 C ATOM 0 H LEU A 61 -12.395 22.527 3.237 1.00 0.00 H new ATOM 0 HA LEU A 61 -12.390 20.245 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.792 22.871 5.176 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.375 22.864 5.927 1.00 0.00 H new ATOM 0 HG LEU A 61 -11.700 22.573 7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -12.410 20.432 8.621 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -13.785 21.328 7.932 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.099 19.939 7.056 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -10.158 20.651 7.635 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -10.760 20.167 6.032 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.890 21.707 6.228 1.00 0.00 H new ATOM 1042 N GLU A 62 -15.333 21.600 4.340 1.00 0.00 N ATOM 1043 CA GLU A 62 -16.768 21.389 4.490 1.00 0.00 C ATOM 1044 C GLU A 62 -17.189 20.052 3.891 1.00 0.00 C ATOM 1045 O GLU A 62 -17.988 19.321 4.478 1.00 0.00 O ATOM 1046 CB GLU A 62 -17.544 22.526 3.822 1.00 0.00 C ATOM 1047 CG GLU A 62 -18.999 22.606 4.256 1.00 0.00 C ATOM 1048 CD GLU A 62 -19.871 23.312 3.235 1.00 0.00 C ATOM 1049 OE1 GLU A 62 -20.059 22.759 2.132 1.00 0.00 O ATOM 1050 OE2 GLU A 62 -20.370 24.414 3.542 1.00 0.00 O ATOM 0 H GLU A 62 -15.083 22.386 3.740 1.00 0.00 H new ATOM 0 HA GLU A 62 -16.997 21.377 5.556 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -17.053 23.472 4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.503 22.397 2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.381 21.599 4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.062 23.132 5.209 1.00 0.00 H new ATOM 1057 N ALA A 63 -16.648 19.736 2.719 1.00 0.00 N ATOM 1058 CA ALA A 63 -16.969 18.487 2.040 1.00 0.00 C ATOM 1059 C ALA A 63 -16.505 17.285 2.854 1.00 0.00 C ATOM 1060 O ALA A 63 -17.227 16.298 2.990 1.00 0.00 O ATOM 1061 CB ALA A 63 -16.339 18.464 0.656 1.00 0.00 C ATOM 0 H ALA A 63 -15.985 20.329 2.220 1.00 0.00 H new ATOM 0 HA ALA A 63 -18.052 18.426 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -16.586 17.526 0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -16.722 19.298 0.068 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.256 18.552 0.748 1.00 0.00 H new ATOM 1067 N THR A 64 -15.293 17.373 3.393 1.00 0.00 N ATOM 1068 CA THR A 64 -14.733 16.291 4.192 1.00 0.00 C ATOM 1069 C THR A 64 -15.520 16.103 5.485 1.00 0.00 C ATOM 1070 O THR A 64 -15.925 14.990 5.820 1.00 0.00 O ATOM 1071 CB THR A 64 -13.264 16.574 4.514 1.00 0.00 C ATOM 1072 OG1 THR A 64 -12.530 16.827 3.330 1.00 0.00 O ATOM 1073 CG2 THR A 64 -12.582 15.437 5.245 1.00 0.00 C ATOM 0 H THR A 64 -14.681 18.182 3.290 1.00 0.00 H new ATOM 0 HA THR A 64 -14.801 15.372 3.610 1.00 0.00 H new ATOM 0 HB THR A 64 -13.274 17.448 5.165 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.762 17.715 2.985 1.00 0.00 H new ATOM 0 HG21 THR A 64 -11.543 15.702 5.443 1.00 0.00 H new ATOM 0 HG22 THR A 64 -13.095 15.252 6.189 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.616 14.537 4.631 1.00 0.00 H new ATOM 1081 N ALA A 65 -15.733 17.198 6.210 1.00 0.00 N ATOM 1082 CA ALA A 65 -16.471 17.151 7.466 1.00 0.00 C ATOM 1083 C ALA A 65 -17.897 16.655 7.250 1.00 0.00 C ATOM 1084 O ALA A 65 -18.403 15.838 8.019 1.00 0.00 O ATOM 1085 CB ALA A 65 -16.480 18.523 8.121 1.00 0.00 C ATOM 0 H ALA A 65 -15.405 18.128 5.948 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.968 16.446 8.128 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.034 18.475 9.058 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.456 18.838 8.321 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -16.957 19.241 7.454 1.00 0.00 H new ATOM 1091 N TRP A 66 -18.541 17.155 6.200 1.00 0.00 N ATOM 1092 CA TRP A 66 -19.909 16.764 5.886 1.00 0.00 C ATOM 1093 C TRP A 66 -19.977 15.298 5.468 1.00 0.00 C ATOM 1094 O TRP A 66 -20.820 14.543 5.951 1.00 0.00 O ATOM 1095 CB TRP A 66 -20.471 17.649 4.772 1.00 0.00 C ATOM 1096 CG TRP A 66 -21.967 17.718 4.764 1.00 0.00 C ATOM 1097 CD1 TRP A 66 -22.748 18.655 5.379 1.00 0.00 C ATOM 1098 CD2 TRP A 66 -22.864 16.813 4.108 1.00 0.00 C ATOM 1099 NE1 TRP A 66 -24.076 18.388 5.146 1.00 0.00 N ATOM 1100 CE2 TRP A 66 -24.173 17.264 4.369 1.00 0.00 C ATOM 1101 CE3 TRP A 66 -22.689 15.668 3.327 1.00 0.00 C ATOM 1102 CZ2 TRP A 66 -25.297 16.607 3.875 1.00 0.00 C ATOM 1103 CZ3 TRP A 66 -23.806 15.018 2.837 1.00 0.00 C ATOM 1104 CH2 TRP A 66 -25.095 15.489 3.113 1.00 0.00 C ATOM 0 H TRP A 66 -18.137 17.832 5.553 1.00 0.00 H new ATOM 0 HA TRP A 66 -20.511 16.894 6.785 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -20.069 18.656 4.881 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -20.127 17.271 3.809 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -22.376 19.484 5.963 1.00 0.00 H new ATOM 0 HE1 TRP A 66 -24.861 18.937 5.495 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -21.698 15.297 3.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 -26.293 16.967 4.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -23.682 14.132 2.231 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -25.948 14.959 2.716 1.00 0.00 H new ATOM 1115 N ALA A 67 -19.085 14.905 4.564 1.00 0.00 N ATOM 1116 CA ALA A 67 -19.044 13.532 4.077 1.00 0.00 C ATOM 1117 C ALA A 67 -18.638 12.564 5.182 1.00 0.00 C ATOM 1118 O ALA A 67 -19.145 11.446 5.255 1.00 0.00 O ATOM 1119 CB ALA A 67 -18.085 13.420 2.900 1.00 0.00 C ATOM 0 H ALA A 67 -18.381 15.519 4.154 1.00 0.00 H new ATOM 0 HA ALA A 67 -20.047 13.262 3.747 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -18.063 12.390 2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -18.419 14.074 2.095 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -17.085 13.716 3.216 1.00 0.00 H new ATOM 1125 N LEU A 68 -17.718 12.998 6.036 1.00 0.00 N ATOM 1126 CA LEU A 68 -17.242 12.164 7.133 1.00 0.00 C ATOM 1127 C LEU A 68 -18.361 11.864 8.125 1.00 0.00 C ATOM 1128 O LEU A 68 -18.537 10.720 8.548 1.00 0.00 O ATOM 1129 CB LEU A 68 -16.079 12.849 7.853 1.00 0.00 C ATOM 1130 CG LEU A 68 -15.279 11.947 8.796 1.00 0.00 C ATOM 1131 CD1 LEU A 68 -14.128 11.289 8.054 1.00 0.00 C ATOM 1132 CD2 LEU A 68 -14.765 12.742 9.985 1.00 0.00 C ATOM 0 H LEU A 68 -17.287 13.921 5.990 1.00 0.00 H new ATOM 0 HA LEU A 68 -16.898 11.220 6.710 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -15.400 13.260 7.106 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -16.471 13.690 8.425 1.00 0.00 H new ATOM 0 HG LEU A 68 -15.940 11.164 9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.570 10.651 8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -14.520 10.686 7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -13.467 12.057 7.654 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -14.199 12.085 10.645 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -14.119 13.547 9.633 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -15.608 13.166 10.531 1.00 0.00 H new ATOM 1144 N LYS A 69 -19.114 12.895 8.497 1.00 0.00 N ATOM 1145 CA LYS A 69 -20.211 12.734 9.446 1.00 0.00 C ATOM 1146 C LYS A 69 -21.313 11.852 8.869 1.00 0.00 C ATOM 1147 O LYS A 69 -21.783 10.921 9.523 1.00 0.00 O ATOM 1148 CB LYS A 69 -20.784 14.099 9.828 1.00 0.00 C ATOM 1149 CG LYS A 69 -21.492 14.107 11.172 1.00 0.00 C ATOM 1150 CD LYS A 69 -22.991 13.906 11.013 1.00 0.00 C ATOM 1151 CE LYS A 69 -23.738 15.228 11.072 1.00 0.00 C ATOM 1152 NZ LYS A 69 -25.165 15.076 10.673 1.00 0.00 N ATOM 0 H LYS A 69 -18.985 13.848 8.157 1.00 0.00 H new ATOM 0 HA LYS A 69 -19.815 12.248 10.338 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -19.976 14.830 9.848 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -21.484 14.419 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -21.083 13.319 11.805 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -21.302 15.053 11.679 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -23.195 13.414 10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -23.356 13.245 11.799 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -23.684 15.631 12.083 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -23.252 15.950 10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -25.641 15.999 10.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -25.217 14.716 9.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -25.636 14.407 11.315 1.00 0.00 H new ATOM 1166 N VAL A 70 -21.724 12.147 7.641 1.00 0.00 N ATOM 1167 CA VAL A 70 -22.770 11.375 6.982 1.00 0.00 C ATOM 1168 C VAL A 70 -22.292 9.966 6.650 1.00 0.00 C ATOM 1169 O VAL A 70 -23.041 9.001 6.784 1.00 0.00 O ATOM 1170 CB VAL A 70 -23.252 12.062 5.690 1.00 0.00 C ATOM 1171 CG1 VAL A 70 -23.881 13.411 6.005 1.00 0.00 C ATOM 1172 CG2 VAL A 70 -22.101 12.220 4.706 1.00 0.00 C ATOM 0 H VAL A 70 -21.349 12.914 7.083 1.00 0.00 H new ATOM 0 HA VAL A 70 -23.603 11.315 7.683 1.00 0.00 H new ATOM 0 HB VAL A 70 -24.011 11.431 5.227 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.215 13.881 5.080 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -24.734 13.269 6.669 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -23.145 14.051 6.492 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -22.461 12.707 3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -21.317 12.828 5.158 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.700 11.238 4.455 1.00 0.00 H new ATOM 1182 N ALA A 71 -21.040 9.857 6.218 1.00 0.00 N ATOM 1183 CA ALA A 71 -20.465 8.562 5.871 1.00 0.00 C ATOM 1184 C ALA A 71 -20.572 7.596 7.044 1.00 0.00 C ATOM 1185 O ALA A 71 -20.980 6.447 6.882 1.00 0.00 O ATOM 1186 CB ALA A 71 -19.012 8.723 5.445 1.00 0.00 C ATOM 0 H ALA A 71 -20.406 10.647 6.100 1.00 0.00 H new ATOM 0 HA ALA A 71 -21.028 8.149 5.034 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.598 7.748 5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.958 9.379 4.576 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.439 9.157 6.264 1.00 0.00 H new ATOM 1192 N GLU A 72 -20.212 8.078 8.228 1.00 0.00 N ATOM 1193 CA GLU A 72 -20.278 7.264 9.433 1.00 0.00 C ATOM 1194 C GLU A 72 -21.729 7.003 9.821 1.00 0.00 C ATOM 1195 O GLU A 72 -22.072 5.924 10.298 1.00 0.00 O ATOM 1196 CB GLU A 72 -19.539 7.950 10.585 1.00 0.00 C ATOM 1197 CG GLU A 72 -20.120 9.302 10.968 1.00 0.00 C ATOM 1198 CD GLU A 72 -19.595 9.806 12.298 1.00 0.00 C ATOM 1199 OE1 GLU A 72 -20.120 9.375 13.346 1.00 0.00 O ATOM 1200 OE2 GLU A 72 -18.658 10.632 12.291 1.00 0.00 O ATOM 0 H GLU A 72 -19.872 9.028 8.378 1.00 0.00 H new ATOM 0 HA GLU A 72 -19.794 6.309 9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.558 7.296 11.457 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -18.493 8.080 10.307 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.885 10.028 10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -21.206 9.226 11.015 1.00 0.00 H new ATOM 1207 N ASN A 73 -22.576 8.006 9.619 1.00 0.00 N ATOM 1208 CA ASN A 73 -23.990 7.893 9.953 1.00 0.00 C ATOM 1209 C ASN A 73 -24.713 6.928 9.014 1.00 0.00 C ATOM 1210 O ASN A 73 -25.561 6.147 9.446 1.00 0.00 O ATOM 1211 CB ASN A 73 -24.656 9.269 9.894 1.00 0.00 C ATOM 1212 CG ASN A 73 -24.805 9.900 11.264 1.00 0.00 C ATOM 1213 OD1 ASN A 73 -25.902 9.947 11.822 1.00 0.00 O ATOM 1214 ND2 ASN A 73 -23.700 10.388 11.815 1.00 0.00 N ATOM 0 H ASN A 73 -22.307 8.908 9.225 1.00 0.00 H new ATOM 0 HA ASN A 73 -24.061 7.496 10.966 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -24.066 9.928 9.256 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -25.639 9.174 9.432 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -23.739 10.823 12.737 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -22.812 10.328 11.317 1.00 0.00 H new ATOM 1221 N GLU A 74 -24.384 6.998 7.728 1.00 0.00 N ATOM 1222 CA GLU A 74 -25.016 6.142 6.728 1.00 0.00 C ATOM 1223 C GLU A 74 -24.404 4.742 6.692 1.00 0.00 C ATOM 1224 O GLU A 74 -25.121 3.749 6.574 1.00 0.00 O ATOM 1225 CB GLU A 74 -24.911 6.786 5.343 1.00 0.00 C ATOM 1226 CG GLU A 74 -26.000 7.809 5.063 1.00 0.00 C ATOM 1227 CD GLU A 74 -25.443 9.161 4.659 1.00 0.00 C ATOM 1228 OE1 GLU A 74 -24.362 9.195 4.032 1.00 0.00 O ATOM 1229 OE2 GLU A 74 -26.087 10.185 4.970 1.00 0.00 O ATOM 0 H GLU A 74 -23.684 7.638 7.353 1.00 0.00 H new ATOM 0 HA GLU A 74 -26.063 6.036 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -23.938 7.268 5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -24.954 6.005 4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -26.648 7.436 4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -26.620 7.927 5.952 1.00 0.00 H new ATOM 1236 N LEU A 75 -23.078 4.667 6.771 1.00 0.00 N ATOM 1237 CA LEU A 75 -22.386 3.379 6.722 1.00 0.00 C ATOM 1238 C LEU A 75 -22.161 2.798 8.115 1.00 0.00 C ATOM 1239 O LEU A 75 -22.156 1.579 8.292 1.00 0.00 O ATOM 1240 CB LEU A 75 -21.047 3.526 5.999 1.00 0.00 C ATOM 1241 CG LEU A 75 -21.146 3.805 4.499 1.00 0.00 C ATOM 1242 CD1 LEU A 75 -21.498 5.264 4.248 1.00 0.00 C ATOM 1243 CD2 LEU A 75 -19.844 3.441 3.801 1.00 0.00 C ATOM 0 H LEU A 75 -22.464 5.475 6.869 1.00 0.00 H new ATOM 0 HA LEU A 75 -23.025 2.687 6.173 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.486 4.335 6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -20.471 2.613 6.145 1.00 0.00 H new ATOM 0 HG LEU A 75 -21.942 3.185 4.086 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -21.564 5.443 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -22.457 5.492 4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -20.726 5.903 4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.933 3.646 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -19.030 4.034 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.635 2.382 3.950 1.00 0.00 H new ATOM 1255 N GLY A 76 -21.968 3.668 9.099 1.00 0.00 N ATOM 1256 CA GLY A 76 -21.737 3.203 10.457 1.00 0.00 C ATOM 1257 C GLY A 76 -20.266 2.969 10.743 1.00 0.00 C ATOM 1258 O GLY A 76 -19.914 2.126 11.570 1.00 0.00 O ATOM 0 H GLY A 76 -21.967 4.682 8.984 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -22.130 3.936 11.161 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.288 2.277 10.620 1.00 0.00 H new ATOM 1262 N ILE A 77 -19.407 3.715 10.056 1.00 0.00 N ATOM 1263 CA ILE A 77 -17.966 3.586 10.236 1.00 0.00 C ATOM 1264 C ILE A 77 -17.396 4.785 10.990 1.00 0.00 C ATOM 1265 O ILE A 77 -17.564 5.930 10.571 1.00 0.00 O ATOM 1266 CB ILE A 77 -17.241 3.453 8.884 1.00 0.00 C ATOM 1267 CG1 ILE A 77 -17.905 2.375 8.026 1.00 0.00 C ATOM 1268 CG2 ILE A 77 -15.768 3.135 9.098 1.00 0.00 C ATOM 1269 CD1 ILE A 77 -17.606 2.508 6.548 1.00 0.00 C ATOM 0 H ILE A 77 -19.685 4.416 9.369 1.00 0.00 H new ATOM 0 HA ILE A 77 -17.800 2.681 10.820 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.313 4.405 8.358 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -17.574 1.395 8.368 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -18.984 2.417 8.175 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -15.271 3.044 8.132 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -15.302 3.936 9.672 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -15.674 2.196 9.644 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -18.109 1.710 6.002 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -17.962 3.474 6.190 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -16.530 2.436 6.386 1.00 0.00 H new ATOM 1281 N THR A 78 -16.722 4.512 12.103 1.00 0.00 N ATOM 1282 CA THR A 78 -16.127 5.568 12.914 1.00 0.00 C ATOM 1283 C THR A 78 -14.868 6.124 12.247 1.00 0.00 C ATOM 1284 O THR A 78 -13.977 5.367 11.862 1.00 0.00 O ATOM 1285 CB THR A 78 -15.787 5.036 14.306 1.00 0.00 C ATOM 1286 OG1 THR A 78 -16.917 4.416 14.895 1.00 0.00 O ATOM 1287 CG2 THR A 78 -15.306 6.110 15.257 1.00 0.00 C ATOM 0 H THR A 78 -16.574 3.569 12.463 1.00 0.00 H new ATOM 0 HA THR A 78 -16.853 6.375 13.007 1.00 0.00 H new ATOM 0 HB THR A 78 -14.978 4.321 14.152 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.679 4.080 15.785 1.00 0.00 H new ATOM 0 HG21 THR A 78 -15.082 5.664 16.226 1.00 0.00 H new ATOM 0 HG22 THR A 78 -14.406 6.575 14.855 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.083 6.865 15.376 1.00 0.00 H new ATOM 1295 N PRO A 79 -14.773 7.461 12.102 1.00 0.00 N ATOM 1296 CA PRO A 79 -13.611 8.105 11.480 1.00 0.00 C ATOM 1297 C PRO A 79 -12.300 7.703 12.146 1.00 0.00 C ATOM 1298 O PRO A 79 -12.263 7.416 13.344 1.00 0.00 O ATOM 1299 CB PRO A 79 -13.875 9.599 11.683 1.00 0.00 C ATOM 1300 CG PRO A 79 -15.351 9.709 11.846 1.00 0.00 C ATOM 1301 CD PRO A 79 -15.785 8.444 12.532 1.00 0.00 C ATOM 0 HA PRO A 79 -13.501 7.817 10.434 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -13.351 9.977 12.561 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.527 10.181 10.830 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.614 10.585 12.439 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.844 9.818 10.880 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.799 8.559 13.616 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.789 8.146 12.230 1.00 0.00 H new ATOM 1309 N VAL A 80 -11.225 7.687 11.365 1.00 0.00 N ATOM 1310 CA VAL A 80 -9.909 7.322 11.881 1.00 0.00 C ATOM 1311 C VAL A 80 -8.860 8.387 11.559 1.00 0.00 C ATOM 1312 O VAL A 80 -7.686 8.233 11.897 1.00 0.00 O ATOM 1313 CB VAL A 80 -9.439 5.971 11.310 1.00 0.00 C ATOM 1314 CG1 VAL A 80 -8.163 5.512 11.998 1.00 0.00 C ATOM 1315 CG2 VAL A 80 -10.534 4.923 11.450 1.00 0.00 C ATOM 0 H VAL A 80 -11.238 7.922 10.373 1.00 0.00 H new ATOM 0 HA VAL A 80 -10.013 7.242 12.963 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.224 6.102 10.249 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.848 4.556 11.580 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.379 6.253 11.841 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.346 5.398 13.066 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.185 3.975 11.041 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.782 4.795 12.504 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.420 5.248 10.905 1.00 0.00 H new ATOM 1325 N VAL A 81 -9.286 9.467 10.908 1.00 0.00 N ATOM 1326 CA VAL A 81 -8.375 10.549 10.548 1.00 0.00 C ATOM 1327 C VAL A 81 -9.078 11.901 10.615 1.00 0.00 C ATOM 1328 O VAL A 81 -10.305 11.974 10.580 1.00 0.00 O ATOM 1329 CB VAL A 81 -7.801 10.352 9.133 1.00 0.00 C ATOM 1330 CG1 VAL A 81 -6.821 9.190 9.110 1.00 0.00 C ATOM 1331 CG2 VAL A 81 -8.920 10.136 8.127 1.00 0.00 C ATOM 0 H VAL A 81 -10.253 9.615 10.620 1.00 0.00 H new ATOM 0 HA VAL A 81 -7.558 10.529 11.269 1.00 0.00 H new ATOM 0 HB VAL A 81 -7.262 11.256 8.852 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -6.426 9.067 8.101 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -6.001 9.392 9.799 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.333 8.277 9.414 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -8.494 9.999 7.133 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -9.491 9.249 8.403 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -9.578 11.005 8.123 1.00 0.00 H new ATOM 1341 N SER A 82 -8.292 12.969 10.710 1.00 0.00 N ATOM 1342 CA SER A 82 -8.842 14.317 10.781 1.00 0.00 C ATOM 1343 C SER A 82 -9.068 14.885 9.383 1.00 0.00 C ATOM 1344 O SER A 82 -8.434 14.460 8.419 1.00 0.00 O ATOM 1345 CB SER A 82 -7.906 15.231 11.574 1.00 0.00 C ATOM 1346 OG SER A 82 -8.610 15.923 12.591 1.00 0.00 O ATOM 0 H SER A 82 -7.273 12.927 10.740 1.00 0.00 H new ATOM 0 HA SER A 82 -9.804 14.266 11.292 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.106 14.639 12.019 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.436 15.948 10.901 1.00 0.00 H new ATOM 0 HG SER A 82 -7.989 16.499 13.084 1.00 0.00 H new ATOM 1352 N ALA A 83 -9.978 15.849 9.282 1.00 0.00 N ATOM 1353 CA ALA A 83 -10.288 16.476 8.002 1.00 0.00 C ATOM 1354 C ALA A 83 -9.089 17.246 7.459 1.00 0.00 C ATOM 1355 O ALA A 83 -8.776 17.169 6.272 1.00 0.00 O ATOM 1356 CB ALA A 83 -11.489 17.399 8.146 1.00 0.00 C ATOM 0 H ALA A 83 -10.513 16.213 10.071 1.00 0.00 H new ATOM 0 HA ALA A 83 -10.530 15.688 7.289 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.710 17.861 7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.352 16.823 8.479 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.266 18.175 8.878 1.00 0.00 H new ATOM 1362 N GLN A 84 -8.423 17.988 8.336 1.00 0.00 N ATOM 1363 CA GLN A 84 -7.258 18.773 7.941 1.00 0.00 C ATOM 1364 C GLN A 84 -6.124 17.869 7.469 1.00 0.00 C ATOM 1365 O GLN A 84 -5.354 18.237 6.580 1.00 0.00 O ATOM 1366 CB GLN A 84 -6.783 19.642 9.107 1.00 0.00 C ATOM 1367 CG GLN A 84 -6.026 20.885 8.671 1.00 0.00 C ATOM 1368 CD GLN A 84 -4.992 21.324 9.689 1.00 0.00 C ATOM 1369 OE1 GLN A 84 -5.333 21.821 10.763 1.00 0.00 O ATOM 1370 NE2 GLN A 84 -3.719 21.143 9.356 1.00 0.00 N ATOM 0 H GLN A 84 -8.668 18.063 9.323 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.551 19.418 7.112 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.646 19.942 9.701 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -6.142 19.045 9.756 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -5.533 20.690 7.718 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -6.734 21.697 8.504 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -3.482 20.727 8.455 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -2.979 21.420 10.001 1.00 0.00 H new ATOM 1379 N ALA A 85 -6.022 16.690 8.071 1.00 0.00 N ATOM 1380 CA ALA A 85 -4.978 15.738 7.715 1.00 0.00 C ATOM 1381 C ALA A 85 -5.193 15.173 6.313 1.00 0.00 C ATOM 1382 O ALA A 85 -4.259 15.099 5.514 1.00 0.00 O ATOM 1383 CB ALA A 85 -4.926 14.609 8.735 1.00 0.00 C ATOM 0 H ALA A 85 -6.650 16.371 8.808 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.026 16.268 7.720 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.142 13.904 8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.713 15.020 9.722 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.886 14.094 8.757 1.00 0.00 H new ATOM 1389 N VAL A 86 -6.426 14.773 6.020 1.00 0.00 N ATOM 1390 CA VAL A 86 -6.757 14.212 4.716 1.00 0.00 C ATOM 1391 C VAL A 86 -6.718 15.283 3.627 1.00 0.00 C ATOM 1392 O VAL A 86 -6.201 15.049 2.534 1.00 0.00 O ATOM 1393 CB VAL A 86 -8.144 13.538 4.725 1.00 0.00 C ATOM 1394 CG1 VAL A 86 -9.229 14.544 5.080 1.00 0.00 C ATOM 1395 CG2 VAL A 86 -8.434 12.878 3.383 1.00 0.00 C ATOM 0 H VAL A 86 -7.212 14.827 6.668 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.003 13.456 4.497 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.139 12.761 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -10.199 14.048 5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.032 14.957 6.069 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.234 15.349 4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.418 12.409 3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.415 13.631 2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.677 12.121 3.179 1.00 0.00 H new ATOM 1405 N VAL A 87 -7.267 16.455 3.928 1.00 0.00 N ATOM 1406 CA VAL A 87 -7.289 17.555 2.970 1.00 0.00 C ATOM 1407 C VAL A 87 -5.875 18.030 2.646 1.00 0.00 C ATOM 1408 O VAL A 87 -5.565 18.353 1.500 1.00 0.00 O ATOM 1409 CB VAL A 87 -8.113 18.747 3.498 1.00 0.00 C ATOM 1410 CG1 VAL A 87 -8.181 19.858 2.459 1.00 0.00 C ATOM 1411 CG2 VAL A 87 -9.511 18.296 3.895 1.00 0.00 C ATOM 0 H VAL A 87 -7.702 16.668 4.826 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.758 17.174 2.063 1.00 0.00 H new ATOM 0 HB VAL A 87 -7.615 19.141 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.767 20.689 2.852 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.173 20.202 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -8.652 19.479 1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.078 19.150 4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.017 17.873 3.027 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.441 17.541 4.678 1.00 0.00 H new ATOM 1421 N ALA A 88 -5.023 18.070 3.665 1.00 0.00 N ATOM 1422 CA ALA A 88 -3.642 18.507 3.490 1.00 0.00 C ATOM 1423 C ALA A 88 -2.751 17.364 3.007 1.00 0.00 C ATOM 1424 O ALA A 88 -1.623 17.593 2.569 1.00 0.00 O ATOM 1425 CB ALA A 88 -3.106 19.082 4.792 1.00 0.00 C ATOM 0 H ALA A 88 -5.264 17.805 4.620 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.629 19.283 2.725 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.075 19.405 4.650 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.715 19.935 5.091 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.143 18.319 5.569 1.00 0.00 H new ATOM 1431 N GLY A 89 -3.259 16.138 3.087 1.00 0.00 N ATOM 1432 CA GLY A 89 -2.488 14.988 2.652 1.00 0.00 C ATOM 1433 C GLY A 89 -1.223 14.795 3.465 1.00 0.00 C ATOM 1434 O GLY A 89 -0.221 14.290 2.959 1.00 0.00 O ATOM 0 H GLY A 89 -4.189 15.921 3.445 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.104 14.092 2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.226 15.107 1.601 1.00 0.00 H new ATOM 1438 N SER A 90 -1.268 15.200 4.731 1.00 0.00 N ATOM 1439 CA SER A 90 -0.116 15.069 5.616 1.00 0.00 C ATOM 1440 C SER A 90 -0.245 13.830 6.496 1.00 0.00 C ATOM 1441 O SER A 90 0.235 13.807 7.629 1.00 0.00 O ATOM 1442 CB SER A 90 0.027 16.316 6.490 1.00 0.00 C ATOM 1443 OG SER A 90 -1.242 16.847 6.835 1.00 0.00 O ATOM 0 H SER A 90 -2.089 15.621 5.166 1.00 0.00 H new ATOM 0 HA SER A 90 0.775 14.963 4.998 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.579 16.067 7.396 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.608 17.070 5.960 1.00 0.00 H new ATOM 0 HG SER A 90 -1.123 17.642 7.395 1.00 0.00 H new ATOM 1449 N ASP A 91 -0.900 12.801 5.968 1.00 0.00 N ATOM 1450 CA ASP A 91 -1.094 11.558 6.704 1.00 0.00 C ATOM 1451 C ASP A 91 -1.452 10.415 5.755 1.00 0.00 C ATOM 1452 O ASP A 91 -2.592 9.947 5.736 1.00 0.00 O ATOM 1453 CB ASP A 91 -2.192 11.730 7.755 1.00 0.00 C ATOM 1454 CG ASP A 91 -1.947 10.885 8.990 1.00 0.00 C ATOM 1455 OD1 ASP A 91 -1.178 11.328 9.869 1.00 0.00 O ATOM 1456 OD2 ASP A 91 -2.524 9.780 9.078 1.00 0.00 O ATOM 0 H ASP A 91 -1.306 12.804 5.032 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.158 11.310 7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -2.255 12.779 8.043 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.154 11.461 7.319 1.00 0.00 H new ATOM 1461 N PRO A 92 -0.480 9.948 4.953 1.00 0.00 N ATOM 1462 CA PRO A 92 -0.699 8.854 4.001 1.00 0.00 C ATOM 1463 C PRO A 92 -1.092 7.556 4.695 1.00 0.00 C ATOM 1464 O PRO A 92 -1.982 6.840 4.235 1.00 0.00 O ATOM 1465 CB PRO A 92 0.658 8.701 3.302 1.00 0.00 C ATOM 1466 CG PRO A 92 1.644 9.334 4.225 1.00 0.00 C ATOM 1467 CD PRO A 92 0.906 10.445 4.914 1.00 0.00 C ATOM 0 HA PRO A 92 -1.518 9.071 3.316 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.897 7.651 3.130 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.658 9.192 2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 92 2.024 8.611 4.947 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.504 9.718 3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.297 10.629 5.915 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.983 11.383 4.364 1.00 0.00 H new ATOM 1475 N LEU A 93 -0.423 7.256 5.803 1.00 0.00 N ATOM 1476 CA LEU A 93 -0.704 6.042 6.562 1.00 0.00 C ATOM 1477 C LEU A 93 -2.163 6.005 7.009 1.00 0.00 C ATOM 1478 O LEU A 93 -2.783 4.943 7.046 1.00 0.00 O ATOM 1479 CB LEU A 93 0.216 5.953 7.780 1.00 0.00 C ATOM 1480 CG LEU A 93 1.603 5.367 7.502 1.00 0.00 C ATOM 1481 CD1 LEU A 93 2.514 5.559 8.705 1.00 0.00 C ATOM 1482 CD2 LEU A 93 1.494 3.893 7.143 1.00 0.00 C ATOM 0 H LEU A 93 0.318 7.837 6.196 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.520 5.186 5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.337 6.952 8.198 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.272 5.346 8.542 1.00 0.00 H new ATOM 0 HG LEU A 93 2.039 5.896 6.655 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.495 5.136 8.489 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.616 6.623 8.918 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.084 5.055 9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.488 3.491 6.948 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.039 3.350 7.971 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.876 3.780 6.252 1.00 0.00 H new ATOM 1494 N GLY A 94 -2.702 7.171 7.349 1.00 0.00 N ATOM 1495 CA GLY A 94 -4.082 7.250 7.789 1.00 0.00 C ATOM 1496 C GLY A 94 -5.067 7.056 6.653 1.00 0.00 C ATOM 1497 O GLY A 94 -6.069 6.358 6.804 1.00 0.00 O ATOM 0 H GLY A 94 -2.207 8.063 7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.260 6.493 8.553 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.256 8.220 8.255 1.00 0.00 H new ATOM 1501 N LEU A 95 -4.786 7.680 5.513 1.00 0.00 N ATOM 1502 CA LEU A 95 -5.658 7.573 4.350 1.00 0.00 C ATOM 1503 C LEU A 95 -5.789 6.122 3.895 1.00 0.00 C ATOM 1504 O LEU A 95 -6.883 5.657 3.576 1.00 0.00 O ATOM 1505 CB LEU A 95 -5.121 8.432 3.203 1.00 0.00 C ATOM 1506 CG LEU A 95 -4.953 9.917 3.530 1.00 0.00 C ATOM 1507 CD1 LEU A 95 -4.095 10.602 2.477 1.00 0.00 C ATOM 1508 CD2 LEU A 95 -6.310 10.595 3.638 1.00 0.00 C ATOM 0 H LEU A 95 -3.962 8.264 5.371 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.646 7.934 4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.156 8.033 2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.795 8.337 2.352 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.448 10.003 4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.987 11.658 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.111 10.133 2.448 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.571 10.507 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.172 11.651 3.871 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.841 10.499 2.691 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.891 10.122 4.430 1.00 0.00 H new ATOM 1520 N ILE A 96 -4.667 5.410 3.872 1.00 0.00 N ATOM 1521 CA ILE A 96 -4.659 4.012 3.460 1.00 0.00 C ATOM 1522 C ILE A 96 -5.394 3.140 4.472 1.00 0.00 C ATOM 1523 O ILE A 96 -6.144 2.236 4.101 1.00 0.00 O ATOM 1524 CB ILE A 96 -3.220 3.483 3.286 1.00 0.00 C ATOM 1525 CG1 ILE A 96 -2.430 4.395 2.347 1.00 0.00 C ATOM 1526 CG2 ILE A 96 -3.236 2.056 2.756 1.00 0.00 C ATOM 1527 CD1 ILE A 96 -0.938 4.141 2.370 1.00 0.00 C ATOM 0 H ILE A 96 -3.752 5.778 4.134 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.172 3.961 2.500 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.731 3.481 4.260 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.797 4.261 1.330 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.618 5.434 2.620 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.213 1.700 2.640 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -3.766 1.413 3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.740 2.032 1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -0.442 4.824 1.680 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.557 4.303 3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.739 3.113 2.068 1.00 0.00 H new ATOM 1539 N ALA A 97 -5.178 3.419 5.753 1.00 0.00 N ATOM 1540 CA ALA A 97 -5.821 2.662 6.820 1.00 0.00 C ATOM 1541 C ALA A 97 -7.338 2.795 6.746 1.00 0.00 C ATOM 1542 O ALA A 97 -8.066 1.821 6.939 1.00 0.00 O ATOM 1543 CB ALA A 97 -5.313 3.127 8.176 1.00 0.00 C ATOM 0 H ALA A 97 -4.562 4.164 6.077 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.567 1.610 6.692 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.801 2.553 8.964 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.235 2.976 8.232 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.538 4.186 8.305 1.00 0.00 H new ATOM 1549 N TYR A 98 -7.808 4.005 6.463 1.00 0.00 N ATOM 1550 CA TYR A 98 -9.239 4.264 6.362 1.00 0.00 C ATOM 1551 C TYR A 98 -9.827 3.583 5.130 1.00 0.00 C ATOM 1552 O TYR A 98 -10.916 3.010 5.184 1.00 0.00 O ATOM 1553 CB TYR A 98 -9.504 5.769 6.302 1.00 0.00 C ATOM 1554 CG TYR A 98 -10.841 6.174 6.883 1.00 0.00 C ATOM 1555 CD1 TYR A 98 -11.277 5.655 8.096 1.00 0.00 C ATOM 1556 CD2 TYR A 98 -11.666 7.071 6.217 1.00 0.00 C ATOM 1557 CE1 TYR A 98 -12.498 6.021 8.630 1.00 0.00 C ATOM 1558 CE2 TYR A 98 -12.889 7.442 6.746 1.00 0.00 C ATOM 1559 CZ TYR A 98 -13.300 6.914 7.951 1.00 0.00 C ATOM 1560 OH TYR A 98 -14.516 7.282 8.479 1.00 0.00 O ATOM 0 H TYR A 98 -7.219 4.821 6.300 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.721 3.853 7.249 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.711 6.290 6.839 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.455 6.097 5.264 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.652 4.955 8.630 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -11.348 7.485 5.272 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.822 5.610 9.574 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -13.519 8.142 6.217 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.955 7.918 7.877 1.00 0.00 H new ATOM 1570 N LEU A 99 -9.098 3.647 4.020 1.00 0.00 N ATOM 1571 CA LEU A 99 -9.546 3.035 2.775 1.00 0.00 C ATOM 1572 C LEU A 99 -9.753 1.534 2.954 1.00 0.00 C ATOM 1573 O LEU A 99 -10.637 0.941 2.337 1.00 0.00 O ATOM 1574 CB LEU A 99 -8.530 3.297 1.659 1.00 0.00 C ATOM 1575 CG LEU A 99 -9.095 4.000 0.423 1.00 0.00 C ATOM 1576 CD1 LEU A 99 -8.014 4.820 -0.266 1.00 0.00 C ATOM 1577 CD2 LEU A 99 -9.692 2.985 -0.539 1.00 0.00 C ATOM 0 H LEU A 99 -8.195 4.117 3.958 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.500 3.484 2.498 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.717 3.901 2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.097 2.345 1.351 1.00 0.00 H new ATOM 0 HG LEU A 99 -9.887 4.678 0.743 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.434 5.313 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.632 5.572 0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.200 4.164 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.089 3.502 -1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.919 2.283 -0.853 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -10.496 2.442 -0.042 1.00 0.00 H new ATOM 1589 N SER A 100 -8.933 0.928 3.807 1.00 0.00 N ATOM 1590 CA SER A 100 -9.029 -0.503 4.071 1.00 0.00 C ATOM 1591 C SER A 100 -10.374 -0.848 4.700 1.00 0.00 C ATOM 1592 O SER A 100 -10.955 -1.895 4.412 1.00 0.00 O ATOM 1593 CB SER A 100 -7.892 -0.951 4.992 1.00 0.00 C ATOM 1594 OG SER A 100 -7.579 -2.318 4.791 1.00 0.00 O ATOM 0 H SER A 100 -8.196 1.405 4.326 1.00 0.00 H new ATOM 0 HA SER A 100 -8.945 -1.030 3.121 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.008 -0.341 4.806 1.00 0.00 H new ATOM 0 HB3 SER A 100 -8.177 -0.789 6.032 1.00 0.00 H new ATOM 0 HG SER A 100 -6.849 -2.578 5.390 1.00 0.00 H new ATOM 1600 N HIS A 101 -10.867 0.040 5.555 1.00 0.00 N ATOM 1601 CA HIS A 101 -12.146 -0.167 6.222 1.00 0.00 C ATOM 1602 C HIS A 101 -13.298 -0.040 5.232 1.00 0.00 C ATOM 1603 O HIS A 101 -14.271 -0.791 5.295 1.00 0.00 O ATOM 1604 CB HIS A 101 -12.323 0.840 7.359 1.00 0.00 C ATOM 1605 CG HIS A 101 -13.096 0.301 8.523 1.00 0.00 C ATOM 1606 ND1 HIS A 101 -14.456 0.478 8.668 1.00 0.00 N ATOM 1607 CD2 HIS A 101 -12.694 -0.417 9.599 1.00 0.00 C ATOM 1608 CE1 HIS A 101 -14.857 -0.104 9.784 1.00 0.00 C ATOM 1609 NE2 HIS A 101 -13.808 -0.655 10.366 1.00 0.00 N ATOM 0 H HIS A 101 -10.399 0.912 5.803 1.00 0.00 H new ATOM 0 HA HIS A 101 -12.153 -1.175 6.637 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -11.340 1.162 7.704 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -12.831 1.724 6.974 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.686 -0.741 9.813 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -15.870 -0.125 10.157 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -13.823 -1.174 11.244 1.00 0.00 H new ATOM 1618 N PHE A 102 -13.180 0.916 4.316 1.00 0.00 N ATOM 1619 CA PHE A 102 -14.210 1.140 3.308 1.00 0.00 C ATOM 1620 C PHE A 102 -14.271 -0.026 2.327 1.00 0.00 C ATOM 1621 O PHE A 102 -15.351 -0.430 1.895 1.00 0.00 O ATOM 1622 CB PHE A 102 -13.940 2.443 2.553 1.00 0.00 C ATOM 1623 CG PHE A 102 -14.474 3.663 3.248 1.00 0.00 C ATOM 1624 CD1 PHE A 102 -15.814 3.753 3.588 1.00 0.00 C ATOM 1625 CD2 PHE A 102 -13.635 4.721 3.561 1.00 0.00 C ATOM 1626 CE1 PHE A 102 -16.308 4.875 4.226 1.00 0.00 C ATOM 1627 CE2 PHE A 102 -14.123 5.845 4.200 1.00 0.00 C ATOM 1628 CZ PHE A 102 -15.461 5.922 4.532 1.00 0.00 C ATOM 0 H PHE A 102 -12.382 1.548 4.251 1.00 0.00 H new ATOM 0 HA PHE A 102 -15.171 1.216 3.816 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -12.865 2.556 2.413 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -14.385 2.377 1.560 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -16.480 2.937 3.352 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.588 4.666 3.303 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -17.355 4.933 4.485 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -13.459 6.662 4.439 1.00 0.00 H new ATOM 0 HZ PHE A 102 -15.845 6.800 5.030 1.00 0.00 H new ATOM 1638 N HIS A 103 -13.105 -0.563 1.984 1.00 0.00 N ATOM 1639 CA HIS A 103 -13.024 -1.685 1.054 1.00 0.00 C ATOM 1640 C HIS A 103 -13.718 -2.916 1.627 1.00 0.00 C ATOM 1641 O HIS A 103 -14.523 -3.558 0.953 1.00 0.00 O ATOM 1642 CB HIS A 103 -11.562 -2.008 0.740 1.00 0.00 C ATOM 1643 CG HIS A 103 -11.394 -3.061 -0.311 1.00 0.00 C ATOM 1644 ND1 HIS A 103 -11.031 -4.360 -0.023 1.00 0.00 N ATOM 1645 CD2 HIS A 103 -11.542 -3.003 -1.656 1.00 0.00 C ATOM 1646 CE1 HIS A 103 -10.962 -5.055 -1.146 1.00 0.00 C ATOM 1647 NE2 HIS A 103 -11.268 -4.255 -2.149 1.00 0.00 N ATOM 0 H HIS A 103 -12.203 -0.240 2.335 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.532 -1.400 0.133 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -11.059 -1.097 0.414 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -11.067 -2.336 1.654 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -11.823 -2.134 -2.233 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -10.700 -6.099 -1.228 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -11.297 -4.523 -3.133 1.00 0.00 H new ATOM 1656 N SER A 104 -13.401 -3.240 2.878 1.00 0.00 N ATOM 1657 CA SER A 104 -13.993 -4.395 3.542 1.00 0.00 C ATOM 1658 C SER A 104 -15.512 -4.265 3.605 1.00 0.00 C ATOM 1659 O SER A 104 -16.237 -5.249 3.457 1.00 0.00 O ATOM 1660 CB SER A 104 -13.424 -4.546 4.954 1.00 0.00 C ATOM 1661 OG SER A 104 -12.009 -4.604 4.929 1.00 0.00 O ATOM 0 H SER A 104 -12.738 -2.718 3.451 1.00 0.00 H new ATOM 0 HA SER A 104 -13.745 -5.284 2.961 1.00 0.00 H new ATOM 0 HB2 SER A 104 -13.746 -3.707 5.571 1.00 0.00 H new ATOM 0 HB3 SER A 104 -13.820 -5.451 5.414 1.00 0.00 H new ATOM 0 HG SER A 104 -11.647 -3.704 4.788 1.00 0.00 H new ATOM 1667 N ALA A 105 -15.988 -3.043 3.823 1.00 0.00 N ATOM 1668 CA ALA A 105 -17.420 -2.783 3.904 1.00 0.00 C ATOM 1669 C ALA A 105 -18.047 -2.744 2.515 1.00 0.00 C ATOM 1670 O ALA A 105 -19.146 -3.256 2.304 1.00 0.00 O ATOM 1671 CB ALA A 105 -17.678 -1.477 4.640 1.00 0.00 C ATOM 0 H ALA A 105 -15.402 -2.217 3.947 1.00 0.00 H new ATOM 0 HA ALA A 105 -17.883 -3.597 4.461 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -18.751 -1.295 4.693 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -17.270 -1.541 5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -17.197 -0.657 4.106 1.00 0.00 H new ATOM 1677 N PHE A 106 -17.342 -2.131 1.571 1.00 0.00 N ATOM 1678 CA PHE A 106 -17.826 -2.022 0.201 1.00 0.00 C ATOM 1679 C PHE A 106 -17.912 -3.396 -0.456 1.00 0.00 C ATOM 1680 O PHE A 106 -18.769 -3.638 -1.305 1.00 0.00 O ATOM 1681 CB PHE A 106 -16.907 -1.112 -0.615 1.00 0.00 C ATOM 1682 CG PHE A 106 -17.183 0.355 -0.427 1.00 0.00 C ATOM 1683 CD1 PHE A 106 -17.521 0.859 0.819 1.00 0.00 C ATOM 1684 CD2 PHE A 106 -17.103 1.227 -1.499 1.00 0.00 C ATOM 1685 CE1 PHE A 106 -17.774 2.207 0.991 1.00 0.00 C ATOM 1686 CE2 PHE A 106 -17.355 2.576 -1.334 1.00 0.00 C ATOM 1687 CZ PHE A 106 -17.691 3.067 -0.088 1.00 0.00 C ATOM 0 H PHE A 106 -16.431 -1.701 1.731 1.00 0.00 H new ATOM 0 HA PHE A 106 -18.826 -1.588 0.228 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -15.872 -1.316 -0.340 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -17.011 -1.359 -1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -17.587 0.191 1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -16.841 0.849 -2.476 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -18.036 2.588 1.967 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -17.289 3.245 -2.179 1.00 0.00 H new ATOM 0 HZ PHE A 106 -17.889 4.121 0.043 1.00 0.00 H new ATOM 1697 N LYS A 107 -17.017 -4.294 -0.055 1.00 0.00 N ATOM 1698 CA LYS A 107 -16.991 -5.645 -0.605 1.00 0.00 C ATOM 1699 C LYS A 107 -18.220 -6.435 -0.166 1.00 0.00 C ATOM 1700 O LYS A 107 -18.824 -7.155 -0.961 1.00 0.00 O ATOM 1701 CB LYS A 107 -15.719 -6.371 -0.163 1.00 0.00 C ATOM 1702 CG LYS A 107 -15.449 -7.651 -0.940 1.00 0.00 C ATOM 1703 CD LYS A 107 -15.791 -8.884 -0.120 1.00 0.00 C ATOM 1704 CE LYS A 107 -15.923 -10.117 -1.000 1.00 0.00 C ATOM 1705 NZ LYS A 107 -15.554 -11.362 -0.271 1.00 0.00 N ATOM 0 H LYS A 107 -16.301 -4.111 0.648 1.00 0.00 H new ATOM 0 HA LYS A 107 -17.000 -5.569 -1.692 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -14.868 -5.699 -0.278 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -15.796 -6.609 0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -16.035 -7.650 -1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -14.399 -7.686 -1.231 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -15.017 -9.051 0.629 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -16.724 -8.718 0.418 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -16.949 -10.198 -1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -15.285 -10.007 -1.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -15.657 -12.179 -0.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -14.567 -11.296 0.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -16.179 -11.481 0.551 1.00 0.00 H new