USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 608 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 33 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 29 TYR OH : rot -134:sc= 0.0364 USER MOD Set 2.2: A 73 HIS : no HD1:sc= -2.81 K(o=-2.8,f=-6.9!) USER MOD Set 3.1: A 23 GLN : amide:sc= 0 X(o=-2.7,f=-2.6) USER MOD Set 3.2: A 39 CYS SG : rot 170:sc= -2.71 USER MOD Single : A 11 LYS NZ :NH3+ -116:sc= 0.00886 (180deg=0) USER MOD Single : A 20 SER OG : rot -91:sc= 0.341 USER MOD Single : A 21 THR OG1 : rot -160:sc= 0.135 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -2.38! C(o=-2.4!,f=-3.5!) USER MOD Single : A 42 MET CE :methyl -140:sc= -0.0145 (180deg=-0.26) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.00813 USER MOD Single : A 48 ASN : amide:sc= -0.0932 X(o=-0.093,f=-0.37) USER MOD Single : A 49 GLN : amide:sc= -0.371 K(o=-0.37,f=-1) USER MOD Single : A 50 SER OG : rot -140:sc= 0.0259 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 160:sc= 0.0805 (180deg=-0.174) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 CYS SG : rot 180:sc= -0.328 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 CYS SG : rot -76:sc= -2.91 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.159 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 8 -3.126 12.564 -9.581 1.00 0.00 N ATOM 152 CA GLU A 8 -2.515 11.331 -9.101 1.00 0.00 C ATOM 153 C GLU A 8 -1.002 11.487 -8.974 1.00 0.00 C ATOM 154 O GLU A 8 -0.253 10.522 -9.131 1.00 0.00 O ATOM 155 CB GLU A 8 -2.842 10.172 -10.044 1.00 0.00 C ATOM 156 CG GLU A 8 -4.324 10.040 -10.355 1.00 0.00 C ATOM 157 CD GLU A 8 -4.603 9.021 -11.443 1.00 0.00 C ATOM 158 OE1 GLU A 8 -4.070 7.895 -11.351 1.00 0.00 O ATOM 159 OE2 GLU A 8 -5.353 9.349 -12.385 1.00 0.00 O ATOM 0 HA GLU A 8 -2.925 11.113 -8.115 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.294 10.308 -10.977 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.488 9.242 -9.599 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.858 9.754 -9.449 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.715 11.010 -10.662 1.00 0.00 H new ATOM 166 N ILE A 9 -0.561 12.708 -8.691 1.00 0.00 N ATOM 167 CA ILE A 9 0.861 12.990 -8.543 1.00 0.00 C ATOM 168 C ILE A 9 1.438 12.283 -7.322 1.00 0.00 C ATOM 169 O ILE A 9 2.317 11.430 -7.443 1.00 0.00 O ATOM 170 CB ILE A 9 1.125 14.502 -8.418 1.00 0.00 C ATOM 171 CG1 ILE A 9 0.567 15.241 -9.637 1.00 0.00 C ATOM 172 CG2 ILE A 9 2.615 14.769 -8.266 1.00 0.00 C ATOM 173 CD1 ILE A 9 0.659 16.747 -9.524 1.00 0.00 C ATOM 0 H ILE A 9 -1.168 13.517 -8.560 1.00 0.00 H new ATOM 0 HA ILE A 9 1.351 12.616 -9.442 1.00 0.00 H new ATOM 0 HB ILE A 9 0.617 14.873 -7.528 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.107 14.918 -10.527 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.476 14.958 -9.777 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.785 15.842 -8.179 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.985 14.269 -7.371 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.144 14.387 -9.139 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.246 17.205 -10.422 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.095 17.082 -8.653 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.703 17.041 -9.415 1.00 0.00 H new ATOM 185 N GLY A 10 0.936 12.641 -6.144 1.00 0.00 N ATOM 186 CA GLY A 10 1.412 12.030 -4.917 1.00 0.00 C ATOM 187 C GLY A 10 0.723 10.713 -4.621 1.00 0.00 C ATOM 188 O GLY A 10 0.599 10.315 -3.462 1.00 0.00 O ATOM 0 H GLY A 10 0.208 13.344 -6.018 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.487 11.866 -4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.250 12.716 -4.086 1.00 0.00 H new ATOM 192 N LYS A 11 0.272 10.034 -5.670 1.00 0.00 N ATOM 193 CA LYS A 11 -0.409 8.753 -5.518 1.00 0.00 C ATOM 194 C LYS A 11 0.498 7.602 -5.939 1.00 0.00 C ATOM 195 O LYS A 11 1.194 7.685 -6.952 1.00 0.00 O ATOM 196 CB LYS A 11 -1.695 8.734 -6.348 1.00 0.00 C ATOM 197 CG LYS A 11 -2.700 7.693 -5.888 1.00 0.00 C ATOM 198 CD LYS A 11 -4.024 7.834 -6.621 1.00 0.00 C ATOM 199 CE LYS A 11 -4.016 7.071 -7.937 1.00 0.00 C ATOM 200 NZ LYS A 11 -5.393 6.713 -8.378 1.00 0.00 N ATOM 0 H LYS A 11 0.366 10.349 -6.635 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.662 8.627 -4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.160 9.719 -6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.441 8.546 -7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.295 6.695 -6.056 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.864 7.794 -4.815 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.832 7.464 -5.990 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.225 8.888 -6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.534 7.676 -8.705 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.422 6.164 -7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.496 5.678 -8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.086 7.123 -7.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.560 7.088 -9.334 1.00 0.00 H new ATOM 214 N LEU A 12 0.483 6.527 -5.158 1.00 0.00 N ATOM 215 CA LEU A 12 1.304 5.357 -5.451 1.00 0.00 C ATOM 216 C LEU A 12 0.440 4.107 -5.590 1.00 0.00 C ATOM 217 O LEU A 12 -0.083 3.589 -4.603 1.00 0.00 O ATOM 218 CB LEU A 12 2.346 5.152 -4.351 1.00 0.00 C ATOM 219 CG LEU A 12 3.556 4.294 -4.724 1.00 0.00 C ATOM 220 CD1 LEU A 12 4.421 5.009 -5.750 1.00 0.00 C ATOM 221 CD2 LEU A 12 4.369 3.951 -3.484 1.00 0.00 C ATOM 0 H LEU A 12 -0.088 6.441 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 12 1.815 5.530 -6.398 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.704 6.130 -4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.853 4.696 -3.492 1.00 0.00 H new ATOM 0 HG LEU A 12 3.196 3.365 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.277 4.384 -6.003 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.835 5.203 -6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.772 5.954 -5.335 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.226 3.340 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.718 4.870 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.746 3.397 -2.782 1.00 0.00 H new ATOM 233 N PHE A 13 0.297 3.626 -6.820 1.00 0.00 N ATOM 234 CA PHE A 13 -0.502 2.436 -7.087 1.00 0.00 C ATOM 235 C PHE A 13 0.323 1.170 -6.882 1.00 0.00 C ATOM 236 O PHE A 13 1.309 0.937 -7.581 1.00 0.00 O ATOM 237 CB PHE A 13 -1.051 2.475 -8.515 1.00 0.00 C ATOM 238 CG PHE A 13 -1.219 1.114 -9.130 1.00 0.00 C ATOM 239 CD1 PHE A 13 -1.690 0.052 -8.375 1.00 0.00 C ATOM 240 CD2 PHE A 13 -0.905 0.898 -10.462 1.00 0.00 C ATOM 241 CE1 PHE A 13 -1.846 -1.201 -8.938 1.00 0.00 C ATOM 242 CE2 PHE A 13 -1.059 -0.353 -11.030 1.00 0.00 C ATOM 243 CZ PHE A 13 -1.529 -1.403 -10.267 1.00 0.00 C ATOM 0 H PHE A 13 0.724 4.042 -7.648 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.335 2.423 -6.385 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -2.014 2.985 -8.512 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.380 3.066 -9.138 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.938 0.205 -7.335 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.536 1.716 -11.063 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.215 -2.021 -8.339 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.812 -0.509 -12.070 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.649 -2.381 -10.709 1.00 0.00 H new ATOM 253 N VAL A 14 -0.087 0.354 -5.916 1.00 0.00 N ATOM 254 CA VAL A 14 0.613 -0.890 -5.617 1.00 0.00 C ATOM 255 C VAL A 14 0.049 -2.048 -6.433 1.00 0.00 C ATOM 256 O VAL A 14 -1.151 -2.317 -6.401 1.00 0.00 O ATOM 257 CB VAL A 14 0.522 -1.240 -4.120 1.00 0.00 C ATOM 258 CG1 VAL A 14 1.404 -2.435 -3.795 1.00 0.00 C ATOM 259 CG2 VAL A 14 0.904 -0.038 -3.268 1.00 0.00 C ATOM 0 H VAL A 14 -0.900 0.532 -5.327 1.00 0.00 H new ATOM 0 HA VAL A 14 1.659 -0.736 -5.884 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.509 -1.508 -3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.326 -2.667 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.079 -3.296 -4.379 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.440 -2.200 -4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.834 -0.303 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.926 0.262 -3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.226 0.789 -3.480 1.00 0.00 H new ATOM 269 N GLY A 15 0.925 -2.731 -7.165 1.00 0.00 N ATOM 270 CA GLY A 15 0.495 -3.852 -7.979 1.00 0.00 C ATOM 271 C GLY A 15 1.207 -5.140 -7.614 1.00 0.00 C ATOM 272 O GLY A 15 2.392 -5.305 -7.902 1.00 0.00 O ATOM 0 H GLY A 15 1.924 -2.528 -7.208 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.580 -3.989 -7.864 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.677 -3.625 -9.030 1.00 0.00 H new ATOM 276 N GLY A 16 0.483 -6.055 -6.976 1.00 0.00 N ATOM 277 CA GLY A 16 1.070 -7.321 -6.580 1.00 0.00 C ATOM 278 C GLY A 16 0.813 -7.649 -5.123 1.00 0.00 C ATOM 279 O GLY A 16 1.502 -8.484 -4.535 1.00 0.00 O ATOM 0 H GLY A 16 -0.500 -5.942 -6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.665 -8.117 -7.205 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.145 -7.291 -6.758 1.00 0.00 H new ATOM 283 N LEU A 17 -0.180 -6.990 -4.536 1.00 0.00 N ATOM 284 CA LEU A 17 -0.526 -7.214 -3.137 1.00 0.00 C ATOM 285 C LEU A 17 -1.028 -8.638 -2.922 1.00 0.00 C ATOM 286 O LEU A 17 -1.336 -9.349 -3.878 1.00 0.00 O ATOM 287 CB LEU A 17 -1.591 -6.212 -2.688 1.00 0.00 C ATOM 288 CG LEU A 17 -1.119 -4.769 -2.500 1.00 0.00 C ATOM 289 CD1 LEU A 17 -2.303 -3.848 -2.252 1.00 0.00 C ATOM 290 CD2 LEU A 17 -0.121 -4.679 -1.355 1.00 0.00 C ATOM 0 H LEU A 17 -0.760 -6.296 -5.008 1.00 0.00 H new ATOM 0 HA LEU A 17 0.373 -7.071 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.398 -6.217 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.015 -6.560 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.621 -4.448 -3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.948 -2.826 -2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.981 -3.890 -3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.830 -4.167 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.204 -3.645 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.593 -5.020 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.742 -5.308 -1.574 1.00 0.00 H new ATOM 302 N ASP A 18 -1.110 -9.046 -1.660 1.00 0.00 N ATOM 303 CA ASP A 18 -1.579 -10.384 -1.319 1.00 0.00 C ATOM 304 C ASP A 18 -2.863 -10.318 -0.499 1.00 0.00 C ATOM 305 O ASP A 18 -3.028 -9.436 0.344 1.00 0.00 O ATOM 306 CB ASP A 18 -0.501 -11.142 -0.541 1.00 0.00 C ATOM 307 CG ASP A 18 -0.709 -12.643 -0.576 1.00 0.00 C ATOM 308 OD1 ASP A 18 -1.021 -13.174 -1.663 1.00 0.00 O ATOM 309 OD2 ASP A 18 -0.560 -13.287 0.483 1.00 0.00 O ATOM 0 H ASP A 18 -0.858 -8.470 -0.857 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.789 -10.916 -2.247 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.478 -10.904 -0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.498 -10.803 0.495 1.00 0.00 H new ATOM 314 N TRP A 19 -3.770 -11.254 -0.753 1.00 0.00 N ATOM 315 CA TRP A 19 -5.041 -11.300 -0.040 1.00 0.00 C ATOM 316 C TRP A 19 -4.843 -11.015 1.445 1.00 0.00 C ATOM 317 O TRP A 19 -5.709 -10.429 2.095 1.00 0.00 O ATOM 318 CB TRP A 19 -5.704 -12.667 -0.224 1.00 0.00 C ATOM 319 CG TRP A 19 -5.071 -13.749 0.597 1.00 0.00 C ATOM 320 CD1 TRP A 19 -4.084 -14.607 0.202 1.00 0.00 C ATOM 321 CD2 TRP A 19 -5.384 -14.091 1.951 1.00 0.00 C ATOM 322 NE1 TRP A 19 -3.765 -15.461 1.229 1.00 0.00 N ATOM 323 CE2 TRP A 19 -4.548 -15.165 2.314 1.00 0.00 C ATOM 324 CE3 TRP A 19 -6.288 -13.594 2.894 1.00 0.00 C ATOM 325 CZ2 TRP A 19 -4.591 -15.748 3.577 1.00 0.00 C ATOM 326 CZ3 TRP A 19 -6.330 -14.174 4.147 1.00 0.00 C ATOM 327 CH2 TRP A 19 -5.486 -15.241 4.480 1.00 0.00 C ATOM 0 H TRP A 19 -3.649 -11.991 -1.447 1.00 0.00 H new ATOM 0 HA TRP A 19 -5.690 -10.529 -0.456 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -6.759 -12.590 0.040 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.659 -12.946 -1.277 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -3.622 -14.613 -0.774 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -3.059 -16.197 1.190 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.942 -12.771 2.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.941 -16.571 3.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -7.026 -13.798 4.883 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -5.542 -15.672 5.469 1.00 0.00 H new ATOM 338 N SER A 20 -3.698 -11.431 1.975 1.00 0.00 N ATOM 339 CA SER A 20 -3.388 -11.223 3.385 1.00 0.00 C ATOM 340 C SER A 20 -3.119 -9.748 3.670 1.00 0.00 C ATOM 341 O SER A 20 -3.719 -9.157 4.569 1.00 0.00 O ATOM 342 CB SER A 20 -2.174 -12.061 3.792 1.00 0.00 C ATOM 343 OG SER A 20 -1.046 -11.746 2.994 1.00 0.00 O ATOM 0 H SER A 20 -2.969 -11.914 1.450 1.00 0.00 H new ATOM 0 HA SER A 20 -4.251 -11.538 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.941 -11.884 4.842 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.410 -13.121 3.692 1.00 0.00 H new ATOM 0 HG SER A 20 -1.024 -12.336 2.211 1.00 0.00 H new ATOM 349 N THR A 21 -2.213 -9.158 2.897 1.00 0.00 N ATOM 350 CA THR A 21 -1.863 -7.753 3.066 1.00 0.00 C ATOM 351 C THR A 21 -3.075 -6.932 3.491 1.00 0.00 C ATOM 352 O THR A 21 -4.163 -7.074 2.931 1.00 0.00 O ATOM 353 CB THR A 21 -1.285 -7.159 1.768 1.00 0.00 C ATOM 354 OG1 THR A 21 -0.289 -8.035 1.229 1.00 0.00 O ATOM 355 CG2 THR A 21 -0.676 -5.788 2.024 1.00 0.00 C ATOM 0 H THR A 21 -1.708 -9.631 2.148 1.00 0.00 H new ATOM 0 HA THR A 21 -1.105 -7.708 3.848 1.00 0.00 H new ATOM 0 HB THR A 21 -2.099 -7.050 1.051 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.286 -7.536 0.612 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.274 -5.389 1.093 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.443 -5.115 2.407 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.126 -5.877 2.756 1.00 0.00 H new ATOM 363 N THR A 22 -2.881 -6.071 4.485 1.00 0.00 N ATOM 364 CA THR A 22 -3.958 -5.227 4.987 1.00 0.00 C ATOM 365 C THR A 22 -3.640 -3.750 4.782 1.00 0.00 C ATOM 366 O THR A 22 -2.490 -3.381 4.545 1.00 0.00 O ATOM 367 CB THR A 22 -4.221 -5.481 6.483 1.00 0.00 C ATOM 368 OG1 THR A 22 -3.038 -5.209 7.241 1.00 0.00 O ATOM 369 CG2 THR A 22 -4.661 -6.918 6.718 1.00 0.00 C ATOM 0 H THR A 22 -1.987 -5.940 4.959 1.00 0.00 H new ATOM 0 HA THR A 22 -4.852 -5.486 4.420 1.00 0.00 H new ATOM 0 HB THR A 22 -5.021 -4.815 6.807 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.214 -5.371 8.191 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.841 -7.074 7.782 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.578 -7.113 6.162 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.880 -7.598 6.379 1.00 0.00 H new ATOM 377 N GLN A 23 -4.666 -2.910 4.876 1.00 0.00 N ATOM 378 CA GLN A 23 -4.494 -1.473 4.701 1.00 0.00 C ATOM 379 C GLN A 23 -3.649 -0.885 5.826 1.00 0.00 C ATOM 380 O GLN A 23 -2.942 0.104 5.632 1.00 0.00 O ATOM 381 CB GLN A 23 -5.855 -0.777 4.652 1.00 0.00 C ATOM 382 CG GLN A 23 -6.417 -0.638 3.247 1.00 0.00 C ATOM 383 CD GLN A 23 -7.708 0.156 3.210 1.00 0.00 C ATOM 384 OE1 GLN A 23 -7.800 1.241 3.785 1.00 0.00 O ATOM 385 NE2 GLN A 23 -8.715 -0.381 2.532 1.00 0.00 N ATOM 0 H GLN A 23 -5.624 -3.200 5.072 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.975 -1.307 3.757 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.562 -1.337 5.263 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.763 0.214 5.097 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.678 -0.152 2.611 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.593 -1.630 2.831 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.596 -1.283 2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.608 0.108 2.473 1.00 0.00 H new ATOM 394 N GLU A 24 -3.728 -1.499 7.003 1.00 0.00 N ATOM 395 CA GLU A 24 -2.971 -1.034 8.159 1.00 0.00 C ATOM 396 C GLU A 24 -1.472 -1.201 7.931 1.00 0.00 C ATOM 397 O GLU A 24 -0.729 -0.222 7.859 1.00 0.00 O ATOM 398 CB GLU A 24 -3.395 -1.798 9.415 1.00 0.00 C ATOM 399 CG GLU A 24 -4.558 -1.157 10.154 1.00 0.00 C ATOM 400 CD GLU A 24 -5.797 -1.024 9.289 1.00 0.00 C ATOM 401 OE1 GLU A 24 -5.873 -0.052 8.509 1.00 0.00 O ATOM 402 OE2 GLU A 24 -6.689 -1.892 9.392 1.00 0.00 O ATOM 0 H GLU A 24 -4.308 -2.319 7.181 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.184 0.026 8.298 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.669 -2.815 9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.543 -1.872 10.090 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.797 -1.753 11.035 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.259 -0.170 10.508 1.00 0.00 H new ATOM 409 N THR A 25 -1.032 -2.451 7.817 1.00 0.00 N ATOM 410 CA THR A 25 0.378 -2.748 7.599 1.00 0.00 C ATOM 411 C THR A 25 0.903 -2.040 6.355 1.00 0.00 C ATOM 412 O THR A 25 2.077 -1.677 6.284 1.00 0.00 O ATOM 413 CB THR A 25 0.616 -4.263 7.453 1.00 0.00 C ATOM 414 OG1 THR A 25 0.205 -4.941 8.645 1.00 0.00 O ATOM 415 CG2 THR A 25 2.084 -4.556 7.177 1.00 0.00 C ATOM 0 H THR A 25 -1.633 -3.274 7.872 1.00 0.00 H new ATOM 0 HA THR A 25 0.917 -2.385 8.474 1.00 0.00 H new ATOM 0 HB THR A 25 0.025 -4.622 6.610 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.358 -5.904 8.543 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.228 -5.632 7.078 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.386 -4.063 6.253 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.691 -4.183 8.002 1.00 0.00 H new ATOM 423 N LEU A 26 0.026 -1.847 5.376 1.00 0.00 N ATOM 424 CA LEU A 26 0.401 -1.181 4.133 1.00 0.00 C ATOM 425 C LEU A 26 0.790 0.271 4.390 1.00 0.00 C ATOM 426 O LEU A 26 1.720 0.793 3.775 1.00 0.00 O ATOM 427 CB LEU A 26 -0.751 -1.243 3.130 1.00 0.00 C ATOM 428 CG LEU A 26 -0.449 -0.717 1.727 1.00 0.00 C ATOM 429 CD1 LEU A 26 0.652 -1.538 1.074 1.00 0.00 C ATOM 430 CD2 LEU A 26 -1.706 -0.730 0.869 1.00 0.00 C ATOM 0 H LEU A 26 -0.949 -2.142 5.419 1.00 0.00 H new ATOM 0 HA LEU A 26 1.264 -1.701 3.717 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.077 -2.280 3.045 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.590 -0.677 3.535 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.103 0.313 1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.853 -1.149 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.558 -1.476 1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.335 -2.578 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.471 -0.352 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.082 -1.750 0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.466 -0.097 1.327 1.00 0.00 H new ATOM 442 N ARG A 27 0.073 0.918 5.303 1.00 0.00 N ATOM 443 CA ARG A 27 0.343 2.310 5.642 1.00 0.00 C ATOM 444 C ARG A 27 1.790 2.489 6.090 1.00 0.00 C ATOM 445 O ARG A 27 2.584 3.143 5.413 1.00 0.00 O ATOM 446 CB ARG A 27 -0.606 2.782 6.745 1.00 0.00 C ATOM 447 CG ARG A 27 -1.923 3.333 6.221 1.00 0.00 C ATOM 448 CD ARG A 27 -3.043 3.154 7.234 1.00 0.00 C ATOM 449 NE ARG A 27 -3.072 4.235 8.215 1.00 0.00 N ATOM 450 CZ ARG A 27 -3.318 5.503 7.904 1.00 0.00 C ATOM 451 NH1 ARG A 27 -3.556 5.847 6.646 1.00 0.00 N ATOM 452 NH2 ARG A 27 -3.327 6.430 8.853 1.00 0.00 N ATOM 0 H ARG A 27 -0.700 0.500 5.821 1.00 0.00 H new ATOM 0 HA ARG A 27 0.180 2.914 4.749 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.812 1.949 7.417 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.109 3.552 7.335 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.809 4.391 5.986 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.187 2.827 5.292 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.999 3.112 6.713 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.918 2.201 7.748 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.894 4.004 9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.551 5.137 5.913 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.745 6.821 6.411 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.145 6.169 9.822 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.516 7.403 8.613 1.00 0.00 H new ATOM 466 N SER A 28 2.126 1.905 7.235 1.00 0.00 N ATOM 467 CA SER A 28 3.477 2.004 7.777 1.00 0.00 C ATOM 468 C SER A 28 4.512 1.608 6.728 1.00 0.00 C ATOM 469 O SER A 28 5.395 2.394 6.384 1.00 0.00 O ATOM 470 CB SER A 28 3.620 1.114 9.013 1.00 0.00 C ATOM 471 OG SER A 28 3.050 1.731 10.154 1.00 0.00 O ATOM 0 H SER A 28 1.482 1.358 7.806 1.00 0.00 H new ATOM 0 HA SER A 28 3.653 3.041 8.063 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.134 0.155 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.674 0.907 9.196 1.00 0.00 H new ATOM 0 HG SER A 28 3.153 1.142 10.930 1.00 0.00 H new ATOM 477 N TYR A 29 4.397 0.384 6.225 1.00 0.00 N ATOM 478 CA TYR A 29 5.324 -0.119 5.218 1.00 0.00 C ATOM 479 C TYR A 29 5.759 0.997 4.273 1.00 0.00 C ATOM 480 O TYR A 29 6.936 1.111 3.929 1.00 0.00 O ATOM 481 CB TYR A 29 4.678 -1.254 4.422 1.00 0.00 C ATOM 482 CG TYR A 29 5.587 -1.850 3.370 1.00 0.00 C ATOM 483 CD1 TYR A 29 6.629 -2.699 3.724 1.00 0.00 C ATOM 484 CD2 TYR A 29 5.404 -1.563 2.023 1.00 0.00 C ATOM 485 CE1 TYR A 29 7.462 -3.244 2.766 1.00 0.00 C ATOM 486 CE2 TYR A 29 6.231 -2.106 1.059 1.00 0.00 C ATOM 487 CZ TYR A 29 7.259 -2.945 1.435 1.00 0.00 C ATOM 488 OH TYR A 29 8.086 -3.487 0.478 1.00 0.00 O ATOM 0 H TYR A 29 3.671 -0.278 6.498 1.00 0.00 H new ATOM 0 HA TYR A 29 6.207 -0.501 5.731 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.370 -2.040 5.111 1.00 0.00 H new ATOM 0 HB3 TYR A 29 3.775 -0.880 3.940 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.790 -2.937 4.765 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.602 -0.904 1.725 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.268 -3.901 3.058 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.073 -1.875 0.016 1.00 0.00 H new ATOM 0 HH TYR A 29 8.354 -2.789 -0.156 1.00 0.00 H new ATOM 498 N PHE A 30 4.801 1.818 3.858 1.00 0.00 N ATOM 499 CA PHE A 30 5.084 2.926 2.952 1.00 0.00 C ATOM 500 C PHE A 30 5.448 4.187 3.731 1.00 0.00 C ATOM 501 O PHE A 30 6.203 5.031 3.249 1.00 0.00 O ATOM 502 CB PHE A 30 3.875 3.199 2.054 1.00 0.00 C ATOM 503 CG PHE A 30 3.862 2.373 0.800 1.00 0.00 C ATOM 504 CD1 PHE A 30 4.782 2.607 -0.210 1.00 0.00 C ATOM 505 CD2 PHE A 30 2.928 1.363 0.629 1.00 0.00 C ATOM 506 CE1 PHE A 30 4.772 1.848 -1.365 1.00 0.00 C ATOM 507 CE2 PHE A 30 2.914 0.601 -0.524 1.00 0.00 C ATOM 508 CZ PHE A 30 3.837 0.845 -1.523 1.00 0.00 C ATOM 0 H PHE A 30 3.822 1.738 4.134 1.00 0.00 H new ATOM 0 HA PHE A 30 5.935 2.646 2.330 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.962 3.004 2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.864 4.255 1.784 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.515 3.391 -0.093 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.203 1.169 1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.495 2.040 -2.144 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.182 -0.184 -0.644 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.827 0.252 -2.426 1.00 0.00 H new ATOM 518 N SER A 31 4.904 4.306 4.938 1.00 0.00 N ATOM 519 CA SER A 31 5.168 5.465 5.783 1.00 0.00 C ATOM 520 C SER A 31 6.668 5.690 5.944 1.00 0.00 C ATOM 521 O SER A 31 7.148 6.821 5.866 1.00 0.00 O ATOM 522 CB SER A 31 4.518 5.280 7.156 1.00 0.00 C ATOM 523 OG SER A 31 4.652 6.449 7.946 1.00 0.00 O ATOM 0 H SER A 31 4.279 3.615 5.352 1.00 0.00 H new ATOM 0 HA SER A 31 4.737 6.342 5.300 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.462 5.040 7.032 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.979 4.436 7.669 1.00 0.00 H new ATOM 0 HG SER A 31 4.227 6.305 8.817 1.00 0.00 H new ATOM 529 N GLN A 32 7.402 4.606 6.170 1.00 0.00 N ATOM 530 CA GLN A 32 8.848 4.685 6.343 1.00 0.00 C ATOM 531 C GLN A 32 9.489 5.481 5.211 1.00 0.00 C ATOM 532 O GLN A 32 10.500 6.155 5.408 1.00 0.00 O ATOM 533 CB GLN A 32 9.453 3.281 6.401 1.00 0.00 C ATOM 534 CG GLN A 32 8.835 2.310 5.407 1.00 0.00 C ATOM 535 CD GLN A 32 9.796 1.216 4.986 1.00 0.00 C ATOM 536 OE1 GLN A 32 10.914 1.489 4.550 1.00 0.00 O ATOM 537 NE2 GLN A 32 9.363 -0.033 5.115 1.00 0.00 N ATOM 0 H GLN A 32 7.020 3.663 6.238 1.00 0.00 H new ATOM 0 HA GLN A 32 9.049 5.199 7.283 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.524 3.348 6.212 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.331 2.883 7.408 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.948 1.858 5.850 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.506 2.859 4.525 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.428 -0.213 5.481 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.965 -0.812 4.848 1.00 0.00 H new ATOM 546 N TYR A 33 8.894 5.399 4.026 1.00 0.00 N ATOM 547 CA TYR A 33 9.408 6.110 2.862 1.00 0.00 C ATOM 548 C TYR A 33 8.835 7.522 2.788 1.00 0.00 C ATOM 549 O TYR A 33 9.574 8.501 2.697 1.00 0.00 O ATOM 550 CB TYR A 33 9.073 5.344 1.581 1.00 0.00 C ATOM 551 CG TYR A 33 9.709 3.974 1.511 1.00 0.00 C ATOM 552 CD1 TYR A 33 9.063 2.860 2.033 1.00 0.00 C ATOM 553 CD2 TYR A 33 10.956 3.794 0.924 1.00 0.00 C ATOM 554 CE1 TYR A 33 9.641 1.606 1.972 1.00 0.00 C ATOM 555 CE2 TYR A 33 11.540 2.544 0.858 1.00 0.00 C ATOM 556 CZ TYR A 33 10.879 1.453 1.383 1.00 0.00 C ATOM 557 OH TYR A 33 11.458 0.206 1.320 1.00 0.00 O ATOM 0 H TYR A 33 8.055 4.847 3.847 1.00 0.00 H new ATOM 0 HA TYR A 33 10.491 6.182 2.962 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.991 5.237 1.504 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.398 5.930 0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.093 2.976 2.494 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.477 4.646 0.513 1.00 0.00 H new ATOM 0 HE1 TYR A 33 9.126 0.750 2.383 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.509 2.421 0.398 1.00 0.00 H new ATOM 0 HH TYR A 33 12.328 0.271 0.874 1.00 0.00 H new ATOM 567 N GLY A 34 7.509 7.618 2.829 1.00 0.00 N ATOM 568 CA GLY A 34 6.857 8.913 2.766 1.00 0.00 C ATOM 569 C GLY A 34 5.651 8.999 3.680 1.00 0.00 C ATOM 570 O GLY A 34 4.959 8.006 3.900 1.00 0.00 O ATOM 0 H GLY A 34 6.875 6.822 2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.572 9.690 3.038 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.546 9.111 1.740 1.00 0.00 H new ATOM 574 N GLU A 35 5.400 10.190 4.216 1.00 0.00 N ATOM 575 CA GLU A 35 4.271 10.401 5.114 1.00 0.00 C ATOM 576 C GLU A 35 2.964 9.973 4.453 1.00 0.00 C ATOM 577 O GLU A 35 2.381 10.718 3.665 1.00 0.00 O ATOM 578 CB GLU A 35 4.188 11.871 5.529 1.00 0.00 C ATOM 579 CG GLU A 35 2.837 12.267 6.101 1.00 0.00 C ATOM 580 CD GLU A 35 2.937 13.406 7.096 1.00 0.00 C ATOM 581 OE1 GLU A 35 4.060 13.688 7.564 1.00 0.00 O ATOM 582 OE2 GLU A 35 1.892 14.016 7.408 1.00 0.00 O ATOM 0 H GLU A 35 5.963 11.023 4.044 1.00 0.00 H new ATOM 0 HA GLU A 35 4.427 9.789 6.002 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.961 12.075 6.270 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.404 12.497 4.663 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.173 12.558 5.287 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.385 11.403 6.588 1.00 0.00 H new ATOM 589 N VAL A 36 2.509 8.768 4.780 1.00 0.00 N ATOM 590 CA VAL A 36 1.270 8.240 4.220 1.00 0.00 C ATOM 591 C VAL A 36 0.078 9.106 4.609 1.00 0.00 C ATOM 592 O VAL A 36 -0.130 9.402 5.786 1.00 0.00 O ATOM 593 CB VAL A 36 1.015 6.794 4.686 1.00 0.00 C ATOM 594 CG1 VAL A 36 -0.301 6.277 4.124 1.00 0.00 C ATOM 595 CG2 VAL A 36 2.170 5.892 4.279 1.00 0.00 C ATOM 0 H VAL A 36 2.980 8.138 5.430 1.00 0.00 H new ATOM 0 HA VAL A 36 1.383 8.250 3.136 1.00 0.00 H new ATOM 0 HB VAL A 36 0.946 6.787 5.774 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.465 5.254 4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.118 6.910 4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.264 6.296 3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.973 4.874 4.616 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.274 5.901 3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.092 6.253 4.735 1.00 0.00 H new ATOM 605 N VAL A 37 -0.704 9.510 3.613 1.00 0.00 N ATOM 606 CA VAL A 37 -1.878 10.341 3.851 1.00 0.00 C ATOM 607 C VAL A 37 -3.157 9.513 3.804 1.00 0.00 C ATOM 608 O VAL A 37 -4.059 9.699 4.621 1.00 0.00 O ATOM 609 CB VAL A 37 -1.978 11.479 2.818 1.00 0.00 C ATOM 610 CG1 VAL A 37 -2.858 12.603 3.345 1.00 0.00 C ATOM 611 CG2 VAL A 37 -0.593 11.998 2.461 1.00 0.00 C ATOM 0 H VAL A 37 -0.546 9.275 2.633 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.764 10.772 4.846 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.438 11.084 1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.917 13.398 2.602 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.858 12.219 3.545 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.430 12.999 4.266 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.683 12.802 1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.104 12.377 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.001 11.188 2.038 1.00 0.00 H new ATOM 621 N ASP A 38 -3.227 8.598 2.843 1.00 0.00 N ATOM 622 CA ASP A 38 -4.396 7.739 2.690 1.00 0.00 C ATOM 623 C ASP A 38 -4.021 6.428 2.006 1.00 0.00 C ATOM 624 O ASP A 38 -3.367 6.427 0.962 1.00 0.00 O ATOM 625 CB ASP A 38 -5.481 8.456 1.886 1.00 0.00 C ATOM 626 CG ASP A 38 -6.877 7.997 2.258 1.00 0.00 C ATOM 627 OD1 ASP A 38 -7.458 8.570 3.203 1.00 0.00 O ATOM 628 OD2 ASP A 38 -7.388 7.062 1.606 1.00 0.00 O ATOM 0 H ASP A 38 -2.489 8.432 2.159 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.782 7.512 3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.400 9.531 2.049 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.316 8.282 0.823 1.00 0.00 H new ATOM 633 N CYS A 39 -4.437 5.316 2.601 1.00 0.00 N ATOM 634 CA CYS A 39 -4.143 3.998 2.049 1.00 0.00 C ATOM 635 C CYS A 39 -5.421 3.303 1.591 1.00 0.00 C ATOM 636 O CYS A 39 -6.469 3.429 2.223 1.00 0.00 O ATOM 637 CB CYS A 39 -3.423 3.137 3.088 1.00 0.00 C ATOM 638 SG CYS A 39 -4.525 2.353 4.288 1.00 0.00 S ATOM 0 H CYS A 39 -4.979 5.300 3.465 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.493 4.130 1.184 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.855 2.363 2.572 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.703 3.757 3.623 1.00 0.00 H new ATOM 0 HG CYS A 39 -3.857 1.486 4.989 1.00 0.00 H new ATOM 644 N VAL A 40 -5.326 2.570 0.486 1.00 0.00 N ATOM 645 CA VAL A 40 -6.474 1.855 -0.057 1.00 0.00 C ATOM 646 C VAL A 40 -6.068 0.483 -0.585 1.00 0.00 C ATOM 647 O VAL A 40 -5.007 0.329 -1.190 1.00 0.00 O ATOM 648 CB VAL A 40 -7.145 2.651 -1.192 1.00 0.00 C ATOM 649 CG1 VAL A 40 -8.446 1.985 -1.615 1.00 0.00 C ATOM 650 CG2 VAL A 40 -7.389 4.090 -0.761 1.00 0.00 C ATOM 0 H VAL A 40 -4.466 2.456 -0.050 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.185 1.731 0.760 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.474 2.661 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.906 2.562 -2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.240 0.974 -1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.126 1.942 -0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.864 4.638 -1.575 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.040 4.103 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.438 4.561 -0.512 1.00 0.00 H new ATOM 660 N ILE A 41 -6.919 -0.510 -0.351 1.00 0.00 N ATOM 661 CA ILE A 41 -6.650 -1.869 -0.805 1.00 0.00 C ATOM 662 C ILE A 41 -7.882 -2.486 -1.457 1.00 0.00 C ATOM 663 O ILE A 41 -8.802 -2.932 -0.772 1.00 0.00 O ATOM 664 CB ILE A 41 -6.193 -2.770 0.358 1.00 0.00 C ATOM 665 CG1 ILE A 41 -4.807 -2.346 0.847 1.00 0.00 C ATOM 666 CG2 ILE A 41 -6.184 -4.229 -0.075 1.00 0.00 C ATOM 667 CD1 ILE A 41 -4.230 -3.265 1.901 1.00 0.00 C ATOM 0 H ILE A 41 -7.800 -0.399 0.150 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.848 -1.803 -1.541 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.898 -2.659 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.126 -2.309 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.867 -1.335 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.859 -4.853 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.188 -4.524 -0.380 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.499 -4.356 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.246 -2.903 2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.890 -3.283 2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.138 -4.272 1.494 1.00 0.00 H new ATOM 679 N MET A 42 -7.893 -2.508 -2.786 1.00 0.00 N ATOM 680 CA MET A 42 -9.012 -3.073 -3.532 1.00 0.00 C ATOM 681 C MET A 42 -9.321 -4.489 -3.057 1.00 0.00 C ATOM 682 O MET A 42 -8.416 -5.294 -2.839 1.00 0.00 O ATOM 683 CB MET A 42 -8.702 -3.081 -5.030 1.00 0.00 C ATOM 684 CG MET A 42 -8.315 -1.717 -5.578 1.00 0.00 C ATOM 685 SD MET A 42 -9.738 -0.772 -6.155 1.00 0.00 S ATOM 686 CE MET A 42 -10.071 0.249 -4.722 1.00 0.00 C ATOM 0 H MET A 42 -7.140 -2.141 -3.368 1.00 0.00 H new ATOM 0 HA MET A 42 -9.888 -2.449 -3.353 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.891 -3.784 -5.221 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.575 -3.447 -5.571 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.798 -1.151 -4.803 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.612 -1.846 -6.401 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.148 0.325 -4.572 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.613 -0.200 -3.841 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.656 1.244 -4.880 1.00 0.00 H new ATOM 696 N LYS A 43 -10.607 -4.787 -2.898 1.00 0.00 N ATOM 697 CA LYS A 43 -11.037 -6.106 -2.450 1.00 0.00 C ATOM 698 C LYS A 43 -12.112 -6.670 -3.373 1.00 0.00 C ATOM 699 O LYS A 43 -12.779 -5.926 -4.092 1.00 0.00 O ATOM 700 CB LYS A 43 -11.568 -6.032 -1.016 1.00 0.00 C ATOM 701 CG LYS A 43 -10.485 -6.165 0.041 1.00 0.00 C ATOM 702 CD LYS A 43 -10.896 -5.503 1.346 1.00 0.00 C ATOM 703 CE LYS A 43 -10.510 -4.032 1.370 1.00 0.00 C ATOM 704 NZ LYS A 43 -11.068 -3.331 2.560 1.00 0.00 N ATOM 0 H LYS A 43 -11.369 -4.132 -3.073 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.174 -6.771 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.085 -5.082 -0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.306 -6.821 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.275 -7.220 0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.562 -5.713 -0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.973 -5.600 1.481 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.422 -6.018 2.182 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.424 -3.942 1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.869 -3.548 0.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.782 -2.331 2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.106 -3.395 2.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.706 -3.777 3.427 1.00 0.00 H new ATOM 718 N ASP A 44 -12.276 -7.989 -3.346 1.00 0.00 N ATOM 719 CA ASP A 44 -13.272 -8.652 -4.179 1.00 0.00 C ATOM 720 C ASP A 44 -14.665 -8.089 -3.913 1.00 0.00 C ATOM 721 O ASP A 44 -14.873 -7.343 -2.955 1.00 0.00 O ATOM 722 CB ASP A 44 -13.261 -10.160 -3.921 1.00 0.00 C ATOM 723 CG ASP A 44 -14.281 -10.899 -4.765 1.00 0.00 C ATOM 724 OD1 ASP A 44 -13.974 -11.200 -5.937 1.00 0.00 O ATOM 725 OD2 ASP A 44 -15.386 -11.176 -4.253 1.00 0.00 O ATOM 0 H ASP A 44 -11.732 -8.619 -2.756 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.018 -8.467 -5.223 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.267 -10.554 -4.130 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.463 -10.347 -2.866 1.00 0.00 H new ATOM 730 N LYS A 45 -15.616 -8.449 -4.768 1.00 0.00 N ATOM 731 CA LYS A 45 -16.990 -7.981 -4.626 1.00 0.00 C ATOM 732 C LYS A 45 -17.717 -8.752 -3.530 1.00 0.00 C ATOM 733 O LYS A 45 -18.296 -8.159 -2.618 1.00 0.00 O ATOM 734 CB LYS A 45 -17.740 -8.129 -5.952 1.00 0.00 C ATOM 735 CG LYS A 45 -19.231 -7.863 -5.840 1.00 0.00 C ATOM 736 CD LYS A 45 -19.555 -6.396 -6.069 1.00 0.00 C ATOM 737 CE LYS A 45 -19.524 -5.609 -4.768 1.00 0.00 C ATOM 738 NZ LYS A 45 -20.802 -5.734 -4.014 1.00 0.00 N ATOM 0 H LYS A 45 -15.461 -9.064 -5.567 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.962 -6.928 -4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.311 -7.442 -6.681 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.587 -9.138 -6.336 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.766 -8.473 -6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.582 -8.164 -4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.838 -5.969 -6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -20.541 -6.307 -6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -18.700 -5.964 -4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.331 -4.558 -4.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -20.741 -5.184 -3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -21.585 -5.372 -4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.974 -6.734 -3.786 1.00 0.00 H new ATOM 752 N THR A 46 -17.684 -10.078 -3.623 1.00 0.00 N ATOM 753 CA THR A 46 -18.340 -10.930 -2.639 1.00 0.00 C ATOM 754 C THR A 46 -17.399 -11.265 -1.487 1.00 0.00 C ATOM 755 O THR A 46 -17.640 -10.880 -0.343 1.00 0.00 O ATOM 756 CB THR A 46 -18.841 -12.240 -3.276 1.00 0.00 C ATOM 757 OG1 THR A 46 -19.639 -11.951 -4.429 1.00 0.00 O ATOM 758 CG2 THR A 46 -19.656 -13.049 -2.278 1.00 0.00 C ATOM 0 H THR A 46 -17.210 -10.585 -4.370 1.00 0.00 H new ATOM 0 HA THR A 46 -19.194 -10.371 -2.256 1.00 0.00 H new ATOM 0 HB THR A 46 -17.973 -12.828 -3.575 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.952 -12.789 -4.829 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.999 -13.970 -2.750 1.00 0.00 H new ATOM 0 HG22 THR A 46 -19.036 -13.293 -1.415 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.517 -12.465 -1.953 1.00 0.00 H new ATOM 766 N THR A 47 -16.324 -11.984 -1.797 1.00 0.00 N ATOM 767 CA THR A 47 -15.347 -12.371 -0.788 1.00 0.00 C ATOM 768 C THR A 47 -14.809 -11.152 -0.047 1.00 0.00 C ATOM 769 O THR A 47 -14.475 -11.230 1.134 1.00 0.00 O ATOM 770 CB THR A 47 -14.167 -13.139 -1.414 1.00 0.00 C ATOM 771 OG1 THR A 47 -14.654 -14.097 -2.360 1.00 0.00 O ATOM 772 CG2 THR A 47 -13.352 -13.846 -0.341 1.00 0.00 C ATOM 0 H THR A 47 -16.109 -12.310 -2.739 1.00 0.00 H new ATOM 0 HA THR A 47 -15.863 -13.023 -0.083 1.00 0.00 H new ATOM 0 HB THR A 47 -13.523 -12.422 -1.923 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.898 -14.580 -2.755 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.525 -14.382 -0.806 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.959 -13.111 0.361 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.988 -14.553 0.192 1.00 0.00 H new ATOM 780 N ASN A 48 -14.729 -10.026 -0.749 1.00 0.00 N ATOM 781 CA ASN A 48 -14.232 -8.790 -0.157 1.00 0.00 C ATOM 782 C ASN A 48 -12.822 -8.980 0.396 1.00 0.00 C ATOM 783 O ASN A 48 -12.503 -8.505 1.485 1.00 0.00 O ATOM 784 CB ASN A 48 -15.169 -8.321 0.958 1.00 0.00 C ATOM 785 CG ASN A 48 -16.523 -7.886 0.429 1.00 0.00 C ATOM 786 OD1 ASN A 48 -16.625 -7.325 -0.662 1.00 0.00 O ATOM 787 ND2 ASN A 48 -17.570 -8.143 1.204 1.00 0.00 N ATOM 0 H ASN A 48 -15.002 -9.945 -1.728 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.198 -8.031 -0.938 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.305 -9.128 1.678 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.707 -7.491 1.493 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.506 -7.873 0.902 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.438 -8.610 2.101 1.00 0.00 H new ATOM 794 N GLN A 49 -11.984 -9.677 -0.364 1.00 0.00 N ATOM 795 CA GLN A 49 -10.609 -9.929 0.049 1.00 0.00 C ATOM 796 C GLN A 49 -9.623 -9.216 -0.871 1.00 0.00 C ATOM 797 O GLN A 49 -9.786 -9.218 -2.091 1.00 0.00 O ATOM 798 CB GLN A 49 -10.323 -11.432 0.055 1.00 0.00 C ATOM 799 CG GLN A 49 -10.895 -12.156 1.264 1.00 0.00 C ATOM 800 CD GLN A 49 -10.216 -11.755 2.559 1.00 0.00 C ATOM 801 OE1 GLN A 49 -9.080 -12.148 2.825 1.00 0.00 O ATOM 802 NE2 GLN A 49 -10.910 -10.968 3.373 1.00 0.00 N ATOM 0 H GLN A 49 -12.233 -10.077 -1.269 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.483 -9.538 1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.735 -11.875 -0.852 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -9.245 -11.588 0.025 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.962 -11.946 1.337 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.791 -13.232 1.121 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.849 -10.666 3.113 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.504 -10.666 4.259 1.00 0.00 H new ATOM 811 N SER A 50 -8.602 -8.607 -0.278 1.00 0.00 N ATOM 812 CA SER A 50 -7.592 -7.886 -1.044 1.00 0.00 C ATOM 813 C SER A 50 -7.324 -8.580 -2.376 1.00 0.00 C ATOM 814 O SER A 50 -6.557 -9.540 -2.445 1.00 0.00 O ATOM 815 CB SER A 50 -6.294 -7.777 -0.242 1.00 0.00 C ATOM 816 OG SER A 50 -5.197 -7.471 -1.086 1.00 0.00 O ATOM 0 H SER A 50 -8.452 -8.598 0.731 1.00 0.00 H new ATOM 0 HA SER A 50 -7.971 -6.884 -1.245 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.397 -7.004 0.520 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.105 -8.715 0.279 1.00 0.00 H new ATOM 0 HG SER A 50 -4.413 -7.986 -0.803 1.00 0.00 H new ATOM 822 N ARG A 51 -7.961 -8.085 -3.433 1.00 0.00 N ATOM 823 CA ARG A 51 -7.792 -8.657 -4.763 1.00 0.00 C ATOM 824 C ARG A 51 -6.314 -8.842 -5.093 1.00 0.00 C ATOM 825 O ARG A 51 -5.926 -9.823 -5.725 1.00 0.00 O ATOM 826 CB ARG A 51 -8.452 -7.762 -5.813 1.00 0.00 C ATOM 827 CG ARG A 51 -9.941 -7.556 -5.589 1.00 0.00 C ATOM 828 CD ARG A 51 -10.631 -7.060 -6.850 1.00 0.00 C ATOM 829 NE ARG A 51 -10.646 -5.602 -6.929 1.00 0.00 N ATOM 830 CZ ARG A 51 -11.218 -4.925 -7.918 1.00 0.00 C ATOM 831 NH1 ARG A 51 -11.820 -5.571 -8.907 1.00 0.00 N ATOM 832 NH2 ARG A 51 -11.189 -3.598 -7.920 1.00 0.00 N ATOM 0 H ARG A 51 -8.598 -7.290 -3.394 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.273 -9.635 -4.774 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.956 -6.791 -5.814 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.299 -8.200 -6.799 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.395 -8.494 -5.270 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -10.093 -6.838 -4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.122 -7.465 -7.725 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.654 -7.435 -6.874 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.192 -5.074 -6.183 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.845 -6.591 -8.910 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.258 -5.048 -9.665 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.727 -3.097 -7.161 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.629 -3.079 -8.680 1.00 0.00 H new ATOM 846 N GLY A 52 -5.493 -7.889 -4.660 1.00 0.00 N ATOM 847 CA GLY A 52 -4.067 -7.965 -4.919 1.00 0.00 C ATOM 848 C GLY A 52 -3.503 -6.658 -5.440 1.00 0.00 C ATOM 849 O GLY A 52 -2.514 -6.650 -6.174 1.00 0.00 O ATOM 0 H GLY A 52 -5.790 -7.067 -4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.548 -8.241 -4.001 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.874 -8.755 -5.644 1.00 0.00 H new ATOM 853 N PHE A 53 -4.132 -5.551 -5.061 1.00 0.00 N ATOM 854 CA PHE A 53 -3.688 -4.232 -5.497 1.00 0.00 C ATOM 855 C PHE A 53 -4.461 -3.132 -4.777 1.00 0.00 C ATOM 856 O PHE A 53 -5.599 -3.332 -4.354 1.00 0.00 O ATOM 857 CB PHE A 53 -3.862 -4.086 -7.010 1.00 0.00 C ATOM 858 CG PHE A 53 -5.280 -4.269 -7.471 1.00 0.00 C ATOM 859 CD1 PHE A 53 -5.825 -5.538 -7.592 1.00 0.00 C ATOM 860 CD2 PHE A 53 -6.069 -3.173 -7.781 1.00 0.00 C ATOM 861 CE1 PHE A 53 -7.129 -5.709 -8.016 1.00 0.00 C ATOM 862 CE2 PHE A 53 -7.374 -3.338 -8.205 1.00 0.00 C ATOM 863 CZ PHE A 53 -7.905 -4.608 -8.322 1.00 0.00 C ATOM 0 H PHE A 53 -4.951 -5.541 -4.453 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.632 -4.132 -5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.514 -3.099 -7.314 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.228 -4.816 -7.513 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.224 -6.403 -7.352 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.659 -2.178 -7.690 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.541 -6.703 -8.108 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.978 -2.475 -8.445 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.925 -4.740 -8.652 1.00 0.00 H new ATOM 873 N GLY A 54 -3.833 -1.968 -4.639 1.00 0.00 N ATOM 874 CA GLY A 54 -4.476 -0.853 -3.969 1.00 0.00 C ATOM 875 C GLY A 54 -3.877 0.483 -4.362 1.00 0.00 C ATOM 876 O GLY A 54 -3.505 0.689 -5.517 1.00 0.00 O ATOM 0 H GLY A 54 -2.890 -1.778 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.540 -0.855 -4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.390 -0.983 -2.890 1.00 0.00 H new ATOM 880 N PHE A 55 -3.786 1.395 -3.399 1.00 0.00 N ATOM 881 CA PHE A 55 -3.230 2.720 -3.651 1.00 0.00 C ATOM 882 C PHE A 55 -2.722 3.351 -2.358 1.00 0.00 C ATOM 883 O PHE A 55 -3.230 3.066 -1.273 1.00 0.00 O ATOM 884 CB PHE A 55 -4.284 3.624 -4.293 1.00 0.00 C ATOM 885 CG PHE A 55 -4.763 3.132 -5.629 1.00 0.00 C ATOM 886 CD1 PHE A 55 -5.792 2.208 -5.713 1.00 0.00 C ATOM 887 CD2 PHE A 55 -4.185 3.595 -6.800 1.00 0.00 C ATOM 888 CE1 PHE A 55 -6.233 1.753 -6.942 1.00 0.00 C ATOM 889 CE2 PHE A 55 -4.623 3.144 -8.031 1.00 0.00 C ATOM 890 CZ PHE A 55 -5.649 2.223 -8.102 1.00 0.00 C ATOM 0 H PHE A 55 -4.090 1.241 -2.438 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.389 2.610 -4.336 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.137 3.710 -3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.869 4.625 -4.411 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.254 1.839 -4.809 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.383 4.317 -6.750 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.034 1.030 -6.995 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.163 3.512 -8.936 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.994 1.871 -9.063 1.00 0.00 H new ATOM 900 N VAL A 56 -1.714 4.209 -2.482 1.00 0.00 N ATOM 901 CA VAL A 56 -1.136 4.881 -1.325 1.00 0.00 C ATOM 902 C VAL A 56 -0.854 6.349 -1.626 1.00 0.00 C ATOM 903 O VAL A 56 -0.130 6.673 -2.567 1.00 0.00 O ATOM 904 CB VAL A 56 0.171 4.201 -0.875 1.00 0.00 C ATOM 905 CG1 VAL A 56 0.782 4.943 0.303 1.00 0.00 C ATOM 906 CG2 VAL A 56 -0.082 2.743 -0.524 1.00 0.00 C ATOM 0 H VAL A 56 -1.281 4.455 -3.372 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.869 4.812 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 56 0.881 4.235 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.704 4.448 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.001 5.970 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.080 4.944 1.136 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.852 2.278 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.809 2.685 0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.470 2.220 -1.398 1.00 0.00 H new ATOM 916 N LYS A 57 -1.431 7.234 -0.820 1.00 0.00 N ATOM 917 CA LYS A 57 -1.242 8.669 -0.997 1.00 0.00 C ATOM 918 C LYS A 57 -0.079 9.173 -0.148 1.00 0.00 C ATOM 919 O LYS A 57 0.136 8.704 0.970 1.00 0.00 O ATOM 920 CB LYS A 57 -2.521 9.422 -0.628 1.00 0.00 C ATOM 921 CG LYS A 57 -2.712 10.714 -1.405 1.00 0.00 C ATOM 922 CD LYS A 57 -3.785 11.588 -0.778 1.00 0.00 C ATOM 923 CE LYS A 57 -3.670 13.031 -1.244 1.00 0.00 C ATOM 924 NZ LYS A 57 -4.676 13.909 -0.583 1.00 0.00 N ATOM 0 H LYS A 57 -2.034 6.982 -0.037 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.010 8.853 -2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.379 8.772 -0.803 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.505 9.648 0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.770 11.261 -1.440 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.985 10.483 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.770 11.199 -1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.700 11.547 0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.668 13.403 -1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.803 13.075 -2.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.565 14.884 -0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.633 13.570 -0.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.533 13.887 0.447 1.00 0.00 H new ATOM 938 N PHE A 58 0.667 10.133 -0.685 1.00 0.00 N ATOM 939 CA PHE A 58 1.807 10.702 0.024 1.00 0.00 C ATOM 940 C PHE A 58 1.670 12.216 0.148 1.00 0.00 C ATOM 941 O PHE A 58 1.419 12.911 -0.837 1.00 0.00 O ATOM 942 CB PHE A 58 3.110 10.353 -0.699 1.00 0.00 C ATOM 943 CG PHE A 58 3.567 8.942 -0.463 1.00 0.00 C ATOM 944 CD1 PHE A 58 4.335 8.625 0.646 1.00 0.00 C ATOM 945 CD2 PHE A 58 3.228 7.933 -1.350 1.00 0.00 C ATOM 946 CE1 PHE A 58 4.758 7.327 0.864 1.00 0.00 C ATOM 947 CE2 PHE A 58 3.648 6.633 -1.136 1.00 0.00 C ATOM 948 CZ PHE A 58 4.413 6.330 -0.027 1.00 0.00 C ATOM 0 H PHE A 58 0.502 10.533 -1.609 1.00 0.00 H new ATOM 0 HA PHE A 58 1.830 10.274 1.026 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.975 10.509 -1.769 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.892 11.039 -0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.606 9.400 1.347 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.629 8.164 -2.218 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.358 7.093 1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.378 5.856 -1.835 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.741 5.315 0.143 1.00 0.00 H new ATOM 958 N LYS A 59 1.837 12.722 1.365 1.00 0.00 N ATOM 959 CA LYS A 59 1.733 14.154 1.620 1.00 0.00 C ATOM 960 C LYS A 59 2.401 14.955 0.507 1.00 0.00 C ATOM 961 O LYS A 59 1.854 15.950 0.031 1.00 0.00 O ATOM 962 CB LYS A 59 2.373 14.501 2.967 1.00 0.00 C ATOM 963 CG LYS A 59 2.002 15.881 3.479 1.00 0.00 C ATOM 964 CD LYS A 59 2.060 15.948 4.996 1.00 0.00 C ATOM 965 CE LYS A 59 3.437 16.370 5.483 1.00 0.00 C ATOM 966 NZ LYS A 59 3.430 16.724 6.929 1.00 0.00 N ATOM 0 H LYS A 59 2.045 12.161 2.191 1.00 0.00 H new ATOM 0 HA LYS A 59 0.675 14.417 1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.073 13.756 3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.457 14.437 2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.680 16.622 3.055 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.998 16.138 3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.313 16.654 5.359 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.808 14.973 5.414 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.147 15.561 5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.781 17.225 4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.399 16.676 7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.061 17.689 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.825 16.055 7.447 1.00 0.00 H new ATOM 980 N ASP A 60 3.584 14.513 0.095 1.00 0.00 N ATOM 981 CA ASP A 60 4.326 15.188 -0.964 1.00 0.00 C ATOM 982 C ASP A 60 4.491 14.276 -2.176 1.00 0.00 C ATOM 983 O ASP A 60 4.715 13.072 -2.052 1.00 0.00 O ATOM 984 CB ASP A 60 5.697 15.632 -0.453 1.00 0.00 C ATOM 985 CG ASP A 60 6.202 16.876 -1.158 1.00 0.00 C ATOM 986 OD1 ASP A 60 6.841 16.737 -2.222 1.00 0.00 O ATOM 987 OD2 ASP A 60 5.959 17.989 -0.645 1.00 0.00 O ATOM 0 H ASP A 60 4.050 13.690 0.478 1.00 0.00 H new ATOM 0 HA ASP A 60 3.759 16.068 -1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.638 15.824 0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.413 14.822 -0.593 1.00 0.00 H new ATOM 992 N PRO A 61 4.377 14.862 -3.378 1.00 0.00 N ATOM 993 CA PRO A 61 4.510 14.121 -4.635 1.00 0.00 C ATOM 994 C PRO A 61 5.941 13.659 -4.887 1.00 0.00 C ATOM 995 O PRO A 61 6.237 13.058 -5.919 1.00 0.00 O ATOM 996 CB PRO A 61 4.084 15.141 -5.694 1.00 0.00 C ATOM 997 CG PRO A 61 4.355 16.468 -5.074 1.00 0.00 C ATOM 998 CD PRO A 61 4.111 16.293 -3.600 1.00 0.00 C ATOM 0 HA PRO A 61 3.913 13.209 -4.636 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.649 15.013 -6.617 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.030 15.031 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.380 16.786 -5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.701 17.234 -5.490 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.774 16.922 -3.006 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.090 16.559 -3.327 1.00 0.00 H new ATOM 1006 N ASN A 62 6.826 13.943 -3.937 1.00 0.00 N ATOM 1007 CA ASN A 62 8.227 13.556 -4.057 1.00 0.00 C ATOM 1008 C ASN A 62 8.467 12.183 -3.438 1.00 0.00 C ATOM 1009 O ASN A 62 9.359 11.446 -3.862 1.00 0.00 O ATOM 1010 CB ASN A 62 9.125 14.596 -3.382 1.00 0.00 C ATOM 1011 CG ASN A 62 10.558 14.528 -3.873 1.00 0.00 C ATOM 1012 OD1 ASN A 62 10.879 15.017 -4.956 1.00 0.00 O ATOM 1013 ND2 ASN A 62 11.428 13.918 -3.075 1.00 0.00 N ATOM 0 H ASN A 62 6.598 14.440 -3.076 1.00 0.00 H new ATOM 0 HA ASN A 62 8.474 13.505 -5.117 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.726 15.593 -3.570 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.106 14.443 -2.303 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.407 13.841 -3.352 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.117 13.527 -2.186 1.00 0.00 H new ATOM 1020 N CYS A 63 7.665 11.844 -2.434 1.00 0.00 N ATOM 1021 CA CYS A 63 7.789 10.559 -1.756 1.00 0.00 C ATOM 1022 C CYS A 63 7.602 9.406 -2.738 1.00 0.00 C ATOM 1023 O CYS A 63 8.287 8.387 -2.652 1.00 0.00 O ATOM 1024 CB CYS A 63 6.765 10.453 -0.626 1.00 0.00 C ATOM 1025 SG CYS A 63 6.997 11.665 0.696 1.00 0.00 S ATOM 0 H CYS A 63 6.922 12.442 -2.072 1.00 0.00 H new ATOM 0 HA CYS A 63 8.792 10.495 -1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 63 5.765 10.573 -1.043 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.814 9.451 -0.199 1.00 0.00 H new ATOM 0 HG CYS A 63 6.082 11.497 1.604 1.00 0.00 H new ATOM 1031 N VAL A 64 6.668 9.574 -3.669 1.00 0.00 N ATOM 1032 CA VAL A 64 6.390 8.548 -4.666 1.00 0.00 C ATOM 1033 C VAL A 64 7.675 8.057 -5.323 1.00 0.00 C ATOM 1034 O VAL A 64 7.960 6.860 -5.335 1.00 0.00 O ATOM 1035 CB VAL A 64 5.436 9.069 -5.757 1.00 0.00 C ATOM 1036 CG1 VAL A 64 5.158 7.985 -6.787 1.00 0.00 C ATOM 1037 CG2 VAL A 64 4.141 9.571 -5.136 1.00 0.00 C ATOM 0 H VAL A 64 6.091 10.411 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 64 5.913 7.719 -4.142 1.00 0.00 H new ATOM 0 HB VAL A 64 5.916 9.905 -6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.482 8.372 -7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.094 7.678 -7.254 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.698 7.127 -6.297 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.478 9.936 -5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.655 8.756 -4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.361 10.382 -4.441 1.00 0.00 H new ATOM 1047 N GLY A 65 8.449 8.990 -5.868 1.00 0.00 N ATOM 1048 CA GLY A 65 9.696 8.633 -6.520 1.00 0.00 C ATOM 1049 C GLY A 65 10.634 7.876 -5.601 1.00 0.00 C ATOM 1050 O GLY A 65 11.081 6.776 -5.926 1.00 0.00 O ATOM 0 H GLY A 65 8.235 9.987 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.482 8.024 -7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.190 9.538 -6.873 1.00 0.00 H new ATOM 1054 N THR A 66 10.935 8.467 -4.448 1.00 0.00 N ATOM 1055 CA THR A 66 11.829 7.844 -3.480 1.00 0.00 C ATOM 1056 C THR A 66 11.558 6.348 -3.366 1.00 0.00 C ATOM 1057 O THR A 66 12.485 5.538 -3.353 1.00 0.00 O ATOM 1058 CB THR A 66 11.686 8.487 -2.088 1.00 0.00 C ATOM 1059 OG1 THR A 66 12.166 9.836 -2.121 1.00 0.00 O ATOM 1060 CG2 THR A 66 12.457 7.694 -1.044 1.00 0.00 C ATOM 0 H THR A 66 10.572 9.377 -4.162 1.00 0.00 H new ATOM 0 HA THR A 66 12.845 8.001 -3.842 1.00 0.00 H new ATOM 0 HB THR A 66 10.630 8.484 -1.816 1.00 0.00 H new ATOM 0 HG1 THR A 66 12.070 10.239 -1.233 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.341 8.167 -0.069 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.070 6.676 -1.002 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.513 7.670 -1.312 1.00 0.00 H new ATOM 1068 N VAL A 67 10.281 5.987 -3.285 1.00 0.00 N ATOM 1069 CA VAL A 67 9.888 4.587 -3.174 1.00 0.00 C ATOM 1070 C VAL A 67 10.085 3.854 -4.496 1.00 0.00 C ATOM 1071 O VAL A 67 10.614 2.743 -4.530 1.00 0.00 O ATOM 1072 CB VAL A 67 8.417 4.450 -2.738 1.00 0.00 C ATOM 1073 CG1 VAL A 67 8.050 2.986 -2.548 1.00 0.00 C ATOM 1074 CG2 VAL A 67 8.163 5.242 -1.464 1.00 0.00 C ATOM 0 H VAL A 67 9.501 6.645 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 67 10.528 4.138 -2.414 1.00 0.00 H new ATOM 0 HB VAL A 67 7.783 4.859 -3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.007 2.909 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.191 2.451 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.688 2.548 -1.781 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.119 5.134 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.805 4.865 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.383 6.295 -1.640 1.00 0.00 H new ATOM 1084 N LEU A 68 9.657 4.484 -5.585 1.00 0.00 N ATOM 1085 CA LEU A 68 9.787 3.892 -6.912 1.00 0.00 C ATOM 1086 C LEU A 68 11.227 3.466 -7.180 1.00 0.00 C ATOM 1087 O LEU A 68 11.479 2.358 -7.652 1.00 0.00 O ATOM 1088 CB LEU A 68 9.329 4.886 -7.982 1.00 0.00 C ATOM 1089 CG LEU A 68 7.827 5.162 -8.042 1.00 0.00 C ATOM 1090 CD1 LEU A 68 7.532 6.299 -9.008 1.00 0.00 C ATOM 1091 CD2 LEU A 68 7.069 3.906 -8.446 1.00 0.00 C ATOM 0 H LEU A 68 9.217 5.404 -5.575 1.00 0.00 H new ATOM 0 HA LEU A 68 9.153 3.006 -6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.846 5.831 -7.816 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.649 4.514 -8.955 1.00 0.00 H new ATOM 0 HG LEU A 68 7.492 5.460 -7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.458 6.482 -9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.044 7.202 -8.675 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.882 6.030 -10.005 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.001 4.122 -8.483 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.407 3.577 -9.429 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.255 3.118 -7.716 1.00 0.00 H new ATOM 1103 N ALA A 69 12.168 4.354 -6.873 1.00 0.00 N ATOM 1104 CA ALA A 69 13.582 4.068 -7.077 1.00 0.00 C ATOM 1105 C ALA A 69 14.020 2.856 -6.262 1.00 0.00 C ATOM 1106 O ALA A 69 14.876 2.082 -6.693 1.00 0.00 O ATOM 1107 CB ALA A 69 14.424 5.283 -6.713 1.00 0.00 C ATOM 0 H ALA A 69 11.976 5.276 -6.482 1.00 0.00 H new ATOM 0 HA ALA A 69 13.732 3.838 -8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.478 5.055 -6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.137 6.126 -7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.260 5.539 -5.666 1.00 0.00 H new ATOM 1113 N SER A 70 13.429 2.697 -5.082 1.00 0.00 N ATOM 1114 CA SER A 70 13.762 1.580 -4.204 1.00 0.00 C ATOM 1115 C SER A 70 13.348 0.253 -4.833 1.00 0.00 C ATOM 1116 O SER A 70 13.935 -0.791 -4.548 1.00 0.00 O ATOM 1117 CB SER A 70 13.078 1.750 -2.846 1.00 0.00 C ATOM 1118 OG SER A 70 13.537 0.781 -1.920 1.00 0.00 O ATOM 0 H SER A 70 12.717 3.327 -4.712 1.00 0.00 H new ATOM 0 HA SER A 70 14.842 1.572 -4.060 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.275 2.750 -2.459 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.998 1.661 -2.965 1.00 0.00 H new ATOM 0 HG SER A 70 13.086 0.911 -1.060 1.00 0.00 H new ATOM 1124 N ARG A 71 12.333 0.303 -5.689 1.00 0.00 N ATOM 1125 CA ARG A 71 11.838 -0.895 -6.357 1.00 0.00 C ATOM 1126 C ARG A 71 12.985 -1.845 -6.690 1.00 0.00 C ATOM 1127 O ARG A 71 14.125 -1.430 -6.903 1.00 0.00 O ATOM 1128 CB ARG A 71 11.086 -0.518 -7.635 1.00 0.00 C ATOM 1129 CG ARG A 71 9.709 0.072 -7.379 1.00 0.00 C ATOM 1130 CD ARG A 71 8.994 0.402 -8.680 1.00 0.00 C ATOM 1131 NE ARG A 71 9.577 1.565 -9.345 1.00 0.00 N ATOM 1132 CZ ARG A 71 9.439 1.814 -10.643 1.00 0.00 C ATOM 1133 NH1 ARG A 71 8.742 0.988 -11.410 1.00 0.00 N ATOM 1134 NH2 ARG A 71 9.999 2.893 -11.175 1.00 0.00 N ATOM 0 H ARG A 71 11.837 1.160 -5.936 1.00 0.00 H new ATOM 0 HA ARG A 71 11.154 -1.403 -5.678 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.681 0.201 -8.198 1.00 0.00 H new ATOM 0 HB3 ARG A 71 10.982 -1.405 -8.260 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.111 -0.634 -6.803 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.805 0.975 -6.776 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.040 -0.458 -9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.940 0.591 -8.477 1.00 0.00 H new ATOM 0 HE ARG A 71 10.119 2.221 -8.783 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.309 0.158 -11.004 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.638 1.182 -12.406 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.535 3.531 -10.588 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.893 3.084 -12.171 1.00 0.00 H new ATOM 1148 N PRO A 72 12.678 -3.150 -6.737 1.00 0.00 N ATOM 1149 CA PRO A 72 11.326 -3.655 -6.485 1.00 0.00 C ATOM 1150 C PRO A 72 10.916 -3.510 -5.023 1.00 0.00 C ATOM 1151 O PRO A 72 11.655 -2.951 -4.213 1.00 0.00 O ATOM 1152 CB PRO A 72 11.421 -5.133 -6.870 1.00 0.00 C ATOM 1153 CG PRO A 72 12.860 -5.478 -6.694 1.00 0.00 C ATOM 1154 CD PRO A 72 13.629 -4.233 -7.039 1.00 0.00 C ATOM 0 HA PRO A 72 10.573 -3.102 -7.047 1.00 0.00 H new ATOM 0 HB2 PRO A 72 10.785 -5.749 -6.234 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.098 -5.296 -7.898 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.064 -5.791 -5.670 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.145 -6.306 -7.344 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.539 -4.146 -6.446 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.929 -4.224 -8.087 1.00 0.00 H new ATOM 1162 N HIS A 73 9.733 -4.019 -4.692 1.00 0.00 N ATOM 1163 CA HIS A 73 9.226 -3.948 -3.327 1.00 0.00 C ATOM 1164 C HIS A 73 8.572 -5.265 -2.920 1.00 0.00 C ATOM 1165 O HIS A 73 7.999 -5.969 -3.752 1.00 0.00 O ATOM 1166 CB HIS A 73 8.220 -2.803 -3.193 1.00 0.00 C ATOM 1167 CG HIS A 73 8.858 -1.473 -2.934 1.00 0.00 C ATOM 1168 ND1 HIS A 73 9.023 -0.952 -1.668 1.00 0.00 N ATOM 1169 CD2 HIS A 73 9.373 -0.557 -3.787 1.00 0.00 C ATOM 1170 CE1 HIS A 73 9.611 0.228 -1.754 1.00 0.00 C ATOM 1171 NE2 HIS A 73 9.834 0.491 -3.029 1.00 0.00 N ATOM 0 H HIS A 73 9.108 -4.485 -5.350 1.00 0.00 H new ATOM 0 HA HIS A 73 10.069 -3.761 -2.662 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.628 -2.741 -4.106 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.530 -3.030 -2.381 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.414 -0.636 -4.863 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.866 0.869 -0.923 1.00 0.00 H new ATOM 0 HE2 HIS A 73 10.277 1.335 -3.392 1.00 0.00 H new ATOM 1180 N THR A 74 8.663 -5.593 -1.635 1.00 0.00 N ATOM 1181 CA THR A 74 8.083 -6.826 -1.119 1.00 0.00 C ATOM 1182 C THR A 74 7.474 -6.612 0.262 1.00 0.00 C ATOM 1183 O THR A 74 8.191 -6.496 1.257 1.00 0.00 O ATOM 1184 CB THR A 74 9.133 -7.950 -1.035 1.00 0.00 C ATOM 1185 OG1 THR A 74 9.783 -8.108 -2.301 1.00 0.00 O ATOM 1186 CG2 THR A 74 8.488 -9.264 -0.622 1.00 0.00 C ATOM 0 H THR A 74 9.133 -5.022 -0.933 1.00 0.00 H new ATOM 0 HA THR A 74 7.300 -7.122 -1.817 1.00 0.00 H new ATOM 0 HB THR A 74 9.870 -7.673 -0.281 1.00 0.00 H new ATOM 0 HG1 THR A 74 10.450 -8.823 -2.239 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.249 -10.042 -0.570 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.020 -9.148 0.355 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.732 -9.545 -1.355 1.00 0.00 H new ATOM 1194 N LEU A 75 6.148 -6.560 0.317 1.00 0.00 N ATOM 1195 CA LEU A 75 5.442 -6.359 1.578 1.00 0.00 C ATOM 1196 C LEU A 75 4.557 -7.559 1.904 1.00 0.00 C ATOM 1197 O LEU A 75 3.807 -8.039 1.054 1.00 0.00 O ATOM 1198 CB LEU A 75 4.593 -5.088 1.514 1.00 0.00 C ATOM 1199 CG LEU A 75 3.483 -4.969 2.558 1.00 0.00 C ATOM 1200 CD1 LEU A 75 4.073 -4.867 3.956 1.00 0.00 C ATOM 1201 CD2 LEU A 75 2.598 -3.766 2.262 1.00 0.00 C ATOM 0 H LEU A 75 5.540 -6.654 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 75 6.185 -6.253 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.254 -4.228 1.617 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.141 -5.026 0.524 1.00 0.00 H new ATOM 0 HG LEU A 75 2.868 -5.868 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.268 -4.783 4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.663 -5.759 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.712 -3.986 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.813 -3.697 3.016 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.200 -2.858 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.146 -3.881 1.277 1.00 0.00 H new ATOM 1213 N ASP A 76 4.649 -8.037 3.140 1.00 0.00 N ATOM 1214 CA ASP A 76 3.855 -9.178 3.579 1.00 0.00 C ATOM 1215 C ASP A 76 4.247 -10.439 2.815 1.00 0.00 C ATOM 1216 O ASP A 76 3.400 -11.108 2.224 1.00 0.00 O ATOM 1217 CB ASP A 76 2.365 -8.894 3.389 1.00 0.00 C ATOM 1218 CG ASP A 76 1.509 -9.547 4.456 1.00 0.00 C ATOM 1219 OD1 ASP A 76 1.761 -10.727 4.779 1.00 0.00 O ATOM 1220 OD2 ASP A 76 0.590 -8.877 4.971 1.00 0.00 O ATOM 0 H ASP A 76 5.266 -7.652 3.855 1.00 0.00 H new ATOM 0 HA ASP A 76 4.053 -9.340 4.639 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.199 -7.817 3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.052 -9.252 2.408 1.00 0.00 H new ATOM 1225 N GLY A 77 5.538 -10.758 2.830 1.00 0.00 N ATOM 1226 CA GLY A 77 6.019 -11.936 2.134 1.00 0.00 C ATOM 1227 C GLY A 77 5.439 -12.064 0.739 1.00 0.00 C ATOM 1228 O GLY A 77 5.406 -13.155 0.170 1.00 0.00 O ATOM 0 H GLY A 77 6.259 -10.221 3.312 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.106 -11.897 2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.765 -12.824 2.712 1.00 0.00 H new ATOM 1232 N ARG A 78 4.978 -10.946 0.187 1.00 0.00 N ATOM 1233 CA ARG A 78 4.394 -10.938 -1.148 1.00 0.00 C ATOM 1234 C ARG A 78 5.105 -9.930 -2.047 1.00 0.00 C ATOM 1235 O ARG A 78 5.403 -8.812 -1.628 1.00 0.00 O ATOM 1236 CB ARG A 78 2.902 -10.607 -1.073 1.00 0.00 C ATOM 1237 CG ARG A 78 2.303 -10.190 -2.406 1.00 0.00 C ATOM 1238 CD ARG A 78 2.021 -11.395 -3.291 1.00 0.00 C ATOM 1239 NE ARG A 78 2.149 -11.074 -4.710 1.00 0.00 N ATOM 1240 CZ ARG A 78 2.397 -11.980 -5.648 1.00 0.00 C ATOM 1241 NH1 ARG A 78 2.542 -13.257 -5.321 1.00 0.00 N ATOM 1242 NH2 ARG A 78 2.500 -11.610 -6.919 1.00 0.00 N ATOM 0 H ARG A 78 4.998 -10.034 0.644 1.00 0.00 H new ATOM 0 HA ARG A 78 4.518 -11.932 -1.577 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.364 -11.478 -0.699 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.752 -9.805 -0.350 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.378 -9.639 -2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.987 -9.513 -2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.711 -12.200 -3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.015 -11.763 -3.092 1.00 0.00 H new ATOM 0 HE ARG A 78 2.042 -10.101 -4.996 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.463 -13.546 -4.346 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.732 -13.950 -6.045 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.389 -10.629 -7.175 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.691 -12.307 -7.639 1.00 0.00 H new ATOM 1256 N ASN A 79 5.373 -10.334 -3.284 1.00 0.00 N ATOM 1257 CA ASN A 79 6.050 -9.467 -4.242 1.00 0.00 C ATOM 1258 C ASN A 79 5.100 -8.397 -4.773 1.00 0.00 C ATOM 1259 O ASN A 79 4.101 -8.707 -5.422 1.00 0.00 O ATOM 1260 CB ASN A 79 6.607 -10.292 -5.403 1.00 0.00 C ATOM 1261 CG ASN A 79 7.798 -9.627 -6.065 1.00 0.00 C ATOM 1262 OD1 ASN A 79 7.648 -8.875 -7.029 1.00 0.00 O ATOM 1263 ND2 ASN A 79 8.991 -9.902 -5.550 1.00 0.00 N ATOM 0 H ASN A 79 5.132 -11.256 -3.647 1.00 0.00 H new ATOM 0 HA ASN A 79 6.875 -8.973 -3.728 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.900 -11.276 -5.038 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.823 -10.447 -6.144 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.829 -9.484 -5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 79 9.069 -10.531 -4.751 1.00 0.00 H new ATOM 1270 N ILE A 80 5.419 -7.138 -4.492 1.00 0.00 N ATOM 1271 CA ILE A 80 4.596 -6.023 -4.943 1.00 0.00 C ATOM 1272 C ILE A 80 5.426 -5.004 -5.715 1.00 0.00 C ATOM 1273 O ILE A 80 6.656 -5.032 -5.676 1.00 0.00 O ATOM 1274 CB ILE A 80 3.907 -5.317 -3.760 1.00 0.00 C ATOM 1275 CG1 ILE A 80 4.919 -4.471 -2.984 1.00 0.00 C ATOM 1276 CG2 ILE A 80 3.249 -6.339 -2.844 1.00 0.00 C ATOM 1277 CD1 ILE A 80 4.279 -3.511 -2.006 1.00 0.00 C ATOM 0 H ILE A 80 6.241 -6.865 -3.954 1.00 0.00 H new ATOM 0 HA ILE A 80 3.833 -6.440 -5.601 1.00 0.00 H new ATOM 0 HB ILE A 80 3.133 -4.656 -4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.594 -5.133 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.526 -3.906 -3.691 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.766 -5.825 -2.013 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.503 -6.903 -3.404 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.006 -7.022 -2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.055 -2.944 -1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.625 -2.825 -2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.695 -4.071 -1.276 1.00 0.00 H new ATOM 1289 N ASP A 81 4.745 -4.103 -6.414 1.00 0.00 N ATOM 1290 CA ASP A 81 5.420 -3.071 -7.194 1.00 0.00 C ATOM 1291 C ASP A 81 4.539 -1.833 -7.334 1.00 0.00 C ATOM 1292 O ASP A 81 3.506 -1.848 -8.005 1.00 0.00 O ATOM 1293 CB ASP A 81 5.790 -3.608 -8.577 1.00 0.00 C ATOM 1294 CG ASP A 81 6.953 -2.858 -9.197 1.00 0.00 C ATOM 1295 OD1 ASP A 81 8.100 -3.062 -8.745 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.717 -2.067 -10.134 1.00 0.00 O ATOM 0 H ASP A 81 3.727 -4.066 -6.457 1.00 0.00 H new ATOM 0 HA ASP A 81 6.331 -2.789 -6.667 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.044 -4.665 -8.497 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.924 -3.537 -9.235 1.00 0.00 H new ATOM 1301 N PRO A 82 4.954 -0.734 -6.686 1.00 0.00 N ATOM 1302 CA PRO A 82 4.218 0.532 -6.723 1.00 0.00 C ATOM 1303 C PRO A 82 4.278 1.198 -8.093 1.00 0.00 C ATOM 1304 O PRO A 82 5.059 0.798 -8.957 1.00 0.00 O ATOM 1305 CB PRO A 82 4.936 1.391 -5.679 1.00 0.00 C ATOM 1306 CG PRO A 82 6.315 0.831 -5.612 1.00 0.00 C ATOM 1307 CD PRO A 82 6.176 -0.644 -5.868 1.00 0.00 C ATOM 0 HA PRO A 82 3.156 0.391 -6.522 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.949 2.441 -5.971 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.439 1.336 -4.711 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.962 1.297 -6.355 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.765 1.017 -4.637 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.043 -1.044 -6.395 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.080 -1.206 -4.939 1.00 0.00 H new ATOM 1315 N LYS A 83 3.448 2.218 -8.287 1.00 0.00 N ATOM 1316 CA LYS A 83 3.408 2.942 -9.552 1.00 0.00 C ATOM 1317 C LYS A 83 3.182 4.433 -9.319 1.00 0.00 C ATOM 1318 O LYS A 83 2.493 4.841 -8.384 1.00 0.00 O ATOM 1319 CB LYS A 83 2.302 2.382 -10.449 1.00 0.00 C ATOM 1320 CG LYS A 83 2.514 0.930 -10.842 1.00 0.00 C ATOM 1321 CD LYS A 83 3.525 0.799 -11.969 1.00 0.00 C ATOM 1322 CE LYS A 83 2.887 1.065 -13.323 1.00 0.00 C ATOM 1323 NZ LYS A 83 3.895 1.477 -14.339 1.00 0.00 N ATOM 0 H LYS A 83 2.794 2.562 -7.584 1.00 0.00 H new ATOM 0 HA LYS A 83 4.370 2.811 -10.047 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.346 2.474 -9.933 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.237 2.988 -11.352 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.858 0.364 -9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.564 0.494 -11.151 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.344 1.500 -11.808 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.955 -0.202 -11.959 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.373 0.167 -13.665 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.133 1.845 -13.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 3.421 1.649 -15.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.368 2.348 -14.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.601 0.722 -14.454 1.00 0.00 H new ATOM 1337 N PRO A 84 3.773 5.265 -10.189 1.00 0.00 N ATOM 1338 CA PRO A 84 3.648 6.723 -10.099 1.00 0.00 C ATOM 1339 C PRO A 84 2.243 7.207 -10.441 1.00 0.00 C ATOM 1340 O PRO A 84 1.980 8.409 -10.468 1.00 0.00 O ATOM 1341 CB PRO A 84 4.655 7.229 -11.135 1.00 0.00 C ATOM 1342 CG PRO A 84 4.782 6.115 -12.116 1.00 0.00 C ATOM 1343 CD PRO A 84 4.608 4.847 -11.327 1.00 0.00 C ATOM 0 HA PRO A 84 3.835 7.087 -9.089 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.303 8.142 -11.616 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.615 7.461 -10.673 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.026 6.195 -12.898 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.754 6.138 -12.609 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.123 4.070 -11.917 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.566 4.445 -10.996 1.00 0.00 H new ATOM 1351 N CYS A 85 1.345 6.263 -10.701 1.00 0.00 N ATOM 1352 CA CYS A 85 -0.035 6.594 -11.041 1.00 0.00 C ATOM 1353 C CYS A 85 -0.086 7.614 -12.174 1.00 0.00 C ATOM 1354 O CYS A 85 -0.878 8.555 -12.142 1.00 0.00 O ATOM 1355 CB CYS A 85 -0.768 7.139 -9.815 1.00 0.00 C ATOM 1356 SG CYS A 85 -0.935 5.948 -8.465 1.00 0.00 S ATOM 0 H CYS A 85 1.547 5.263 -10.683 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.530 5.682 -11.375 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.236 8.017 -9.447 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.761 7.472 -10.117 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.868 5.091 -8.756 1.00 0.00 H new ATOM 1362 N THR A 86 0.767 7.421 -13.176 1.00 0.00 N ATOM 1363 CA THR A 86 0.822 8.325 -14.318 1.00 0.00 C ATOM 1364 C THR A 86 0.468 7.599 -15.611 1.00 0.00 C ATOM 1365 O THR A 86 0.654 6.389 -15.743 1.00 0.00 O ATOM 1366 CB THR A 86 2.217 8.961 -14.465 1.00 0.00 C ATOM 1367 OG1 THR A 86 3.227 7.948 -14.395 1.00 0.00 O ATOM 1368 CG2 THR A 86 2.456 9.998 -13.378 1.00 0.00 C ATOM 0 H THR A 86 1.429 6.646 -13.219 1.00 0.00 H new ATOM 0 HA THR A 86 0.090 9.112 -14.134 1.00 0.00 H new ATOM 0 HB THR A 86 2.266 9.456 -15.435 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.111 8.360 -14.491 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.447 10.433 -13.502 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.703 10.783 -13.452 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.389 9.522 -12.400 1.00 0.00 H new