USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 864 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 92 LYS NZ :NH3+ -116:sc= 0.0111 (180deg=-1.45) USER MOD Set 1.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 69 ASN : amide:sc= 0 X(o=0.078,f=-0.22) USER MOD Set 2.2: A 77 GLN : amide:sc= 0.0781 K(o=0.078,f=-5.4!) USER MOD Set 3.1: A 36 HIS : no HD1:sc= -0.618 K(o=-1.4,f=-10!) USER MOD Set 3.2: A 55 GLN : amide:sc= -0.756 K(o=-1.4,f=-4.1) USER MOD Set 4.1: A 20 LYS NZ :NH3+ 150:sc= 0.425 (180deg=0) USER MOD Set 4.2: A 44 GLN : amide:sc= -0.328 K(o=0.096,f=-1.5) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 23 TYR OH : rot 165:sc= -0.694 USER MOD Single : A 24 THR OG1 : rot 71:sc= -0.0748 USER MOD Single : A 28 ASN : amide:sc= -6.54! C(o=-6.5!,f=-8.3!) USER MOD Single : A 29 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.24) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0363 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -53:sc= 0.0191 USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.286) USER MOD Single : A 45 GLN : amide:sc= -0.0388 K(o=-0.039,f=-0.81) USER MOD Single : A 48 THR OG1 : rot -82:sc= 0.824 USER MOD Single : A 58 GLN : amide:sc= -0.0463 K(o=-0.046,f=-1.1) USER MOD Single : A 62 ASN : amide:sc= -0.856 K(o=-0.86,f=0.038!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0135) USER MOD Single : A 74 ASN : amide:sc= 0.0396 K(o=0.04,f=-3.1!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.084 USER MOD Single : A 78 MET CE :methyl -153:sc= -0.0689 (180deg=-0.887) USER MOD Single : A 81 ASN : amide:sc= -1.23 K(o=-1.2,f=-8.4!) USER MOD Single : A 85 CYS SG : rot 150:sc= -0.699 USER MOD Single : A 87 ASN : amide:sc= -0.26 X(o=-0.26,f=-0.17) USER MOD Single : A 100 SER OG : rot 15:sc= 0.784 USER MOD Single : A 106 ASN : amide:sc= -0.0584 K(o=-0.058,f=-1.3!) USER MOD Single : A 108 ASN : amide:sc= -4.19! C(o=-4.2!,f=-19!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -79:sc= 0.0256 USER MOD Single : A 120 SER OG : rot 69:sc= 0.352 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.037 K(o=-0.037,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 201 N GLY A 15 2.982 16.335 -5.020 1.00 0.00 N ATOM 202 CA GLY A 15 2.229 16.781 -3.862 1.00 0.00 C ATOM 203 C GLY A 15 1.490 15.647 -3.179 1.00 0.00 C ATOM 204 O GLY A 15 1.238 14.605 -3.786 1.00 0.00 O ATOM 0 HA2 GLY A 15 2.908 17.249 -3.149 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.514 17.544 -4.169 1.00 0.00 H new ATOM 208 N LEU A 16 1.143 15.847 -1.913 1.00 0.00 N ATOM 209 CA LEU A 16 0.430 14.832 -1.145 1.00 0.00 C ATOM 210 C LEU A 16 -0.558 14.076 -2.027 1.00 0.00 C ATOM 211 O LEU A 16 -0.536 12.847 -2.088 1.00 0.00 O ATOM 212 CB LEU A 16 -0.308 15.477 0.029 1.00 0.00 C ATOM 213 CG LEU A 16 0.543 15.809 1.256 1.00 0.00 C ATOM 214 CD1 LEU A 16 -0.198 16.766 2.177 1.00 0.00 C ATOM 215 CD2 LEU A 16 0.926 14.538 2.000 1.00 0.00 C ATOM 0 H LEU A 16 1.344 16.703 -1.396 1.00 0.00 H new ATOM 0 HA LEU A 16 1.162 14.122 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.776 16.396 -0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.111 14.808 0.339 1.00 0.00 H new ATOM 0 HG LEU A 16 1.457 16.297 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.423 16.991 3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.420 17.689 1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.129 16.306 2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.531 14.794 2.870 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.023 14.021 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.498 13.888 1.338 1.00 0.00 H new ATOM 227 N GLU A 17 -1.422 14.820 -2.712 1.00 0.00 N ATOM 228 CA GLU A 17 -2.417 14.219 -3.592 1.00 0.00 C ATOM 229 C GLU A 17 -1.747 13.503 -4.761 1.00 0.00 C ATOM 230 O GLU A 17 -2.165 12.415 -5.158 1.00 0.00 O ATOM 231 CB GLU A 17 -3.377 15.288 -4.118 1.00 0.00 C ATOM 232 CG GLU A 17 -4.524 15.594 -3.170 1.00 0.00 C ATOM 233 CD GLU A 17 -5.599 16.450 -3.812 1.00 0.00 C ATOM 234 OE1 GLU A 17 -5.482 17.691 -3.756 1.00 0.00 O ATOM 235 OE2 GLU A 17 -6.558 15.876 -4.371 1.00 0.00 O ATOM 0 H GLU A 17 -1.452 15.839 -2.674 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.981 13.487 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.818 16.205 -4.307 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.784 14.960 -5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.966 14.659 -2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.136 16.105 -2.289 1.00 0.00 H new ATOM 242 N ASP A 18 -0.706 14.121 -5.308 1.00 0.00 N ATOM 243 CA ASP A 18 0.023 13.543 -6.431 1.00 0.00 C ATOM 244 C ASP A 18 0.696 12.235 -6.027 1.00 0.00 C ATOM 245 O ASP A 18 0.887 11.344 -6.854 1.00 0.00 O ATOM 246 CB ASP A 18 1.070 14.531 -6.949 1.00 0.00 C ATOM 247 CG ASP A 18 0.507 15.475 -7.993 1.00 0.00 C ATOM 248 OD1 ASP A 18 -0.400 15.058 -8.743 1.00 0.00 O ATOM 249 OD2 ASP A 18 0.975 16.632 -8.061 1.00 0.00 O ATOM 0 H ASP A 18 -0.348 15.022 -4.992 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.692 13.332 -7.226 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.464 15.110 -6.114 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.907 13.979 -7.376 1.00 0.00 H new ATOM 254 N GLN A 19 1.054 12.129 -4.751 1.00 0.00 N ATOM 255 CA GLN A 19 1.708 10.931 -4.239 1.00 0.00 C ATOM 256 C GLN A 19 0.757 9.739 -4.265 1.00 0.00 C ATOM 257 O GLN A 19 1.106 8.662 -4.749 1.00 0.00 O ATOM 258 CB GLN A 19 2.209 11.168 -2.813 1.00 0.00 C ATOM 259 CG GLN A 19 3.185 12.327 -2.697 1.00 0.00 C ATOM 260 CD GLN A 19 4.101 12.200 -1.495 1.00 0.00 C ATOM 261 OE1 GLN A 19 3.803 11.475 -0.546 1.00 0.00 O ATOM 262 NE2 GLN A 19 5.225 12.907 -1.530 1.00 0.00 N ATOM 0 H GLN A 19 0.902 12.858 -4.054 1.00 0.00 H new ATOM 0 HA GLN A 19 2.559 10.708 -4.883 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.355 11.357 -2.163 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.691 10.260 -2.450 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.787 12.382 -3.604 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.628 13.261 -2.627 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.432 13.495 -2.337 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.881 12.861 -0.750 1.00 0.00 H new ATOM 271 N LYS A 20 -0.447 9.938 -3.740 1.00 0.00 N ATOM 272 CA LYS A 20 -1.451 8.880 -3.702 1.00 0.00 C ATOM 273 C LYS A 20 -1.506 8.136 -5.032 1.00 0.00 C ATOM 274 O LYS A 20 -1.336 6.917 -5.080 1.00 0.00 O ATOM 275 CB LYS A 20 -2.827 9.466 -3.376 1.00 0.00 C ATOM 276 CG LYS A 20 -3.960 8.462 -3.500 1.00 0.00 C ATOM 277 CD LYS A 20 -5.270 9.142 -3.862 1.00 0.00 C ATOM 278 CE LYS A 20 -6.453 8.204 -3.679 1.00 0.00 C ATOM 279 NZ LYS A 20 -7.740 8.948 -3.583 1.00 0.00 N ATOM 0 H LYS A 20 -0.752 10.823 -3.334 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.170 8.173 -2.921 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.813 9.862 -2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.022 10.306 -4.043 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.710 7.722 -4.261 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.076 7.925 -2.559 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.406 10.027 -3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.231 9.483 -4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.497 7.508 -4.516 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.309 7.609 -2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.510 8.359 -3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.934 9.178 -2.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.675 9.827 -4.135 1.00 0.00 H new ATOM 293 N ARG A 21 -1.744 8.876 -6.110 1.00 0.00 N ATOM 294 CA ARG A 21 -1.821 8.285 -7.441 1.00 0.00 C ATOM 295 C ARG A 21 -0.604 7.407 -7.717 1.00 0.00 C ATOM 296 O ARG A 21 -0.740 6.235 -8.072 1.00 0.00 O ATOM 297 CB ARG A 21 -1.923 9.381 -8.503 1.00 0.00 C ATOM 298 CG ARG A 21 -2.407 8.877 -9.853 1.00 0.00 C ATOM 299 CD ARG A 21 -3.923 8.942 -9.962 1.00 0.00 C ATOM 300 NE ARG A 21 -4.439 8.031 -10.980 1.00 0.00 N ATOM 301 CZ ARG A 21 -5.730 7.901 -11.263 1.00 0.00 C ATOM 302 NH1 ARG A 21 -6.631 8.620 -10.609 1.00 0.00 N ATOM 303 NH2 ARG A 21 -6.121 7.050 -12.203 1.00 0.00 N ATOM 0 H ARG A 21 -1.887 9.886 -6.088 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.714 7.662 -7.484 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.603 10.156 -8.149 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.945 9.847 -8.628 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.958 9.473 -10.647 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.074 7.849 -9.999 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.366 8.696 -8.997 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.226 9.961 -10.201 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.771 7.464 -11.502 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.334 9.275 -9.886 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.622 8.518 -10.829 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.430 6.496 -12.708 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.113 6.950 -12.420 1.00 0.00 H new ATOM 317 N ILE A 22 0.583 7.980 -7.552 1.00 0.00 N ATOM 318 CA ILE A 22 1.823 7.249 -7.783 1.00 0.00 C ATOM 319 C ILE A 22 1.764 5.857 -7.162 1.00 0.00 C ATOM 320 O ILE A 22 2.110 4.865 -7.804 1.00 0.00 O ATOM 321 CB ILE A 22 3.036 8.004 -7.210 1.00 0.00 C ATOM 322 CG1 ILE A 22 3.167 9.378 -7.868 1.00 0.00 C ATOM 323 CG2 ILE A 22 4.307 7.191 -7.409 1.00 0.00 C ATOM 324 CD1 ILE A 22 4.168 10.283 -7.184 1.00 0.00 C ATOM 0 H ILE A 22 0.713 8.948 -7.259 1.00 0.00 H new ATOM 0 HA ILE A 22 1.940 7.158 -8.863 1.00 0.00 H new ATOM 0 HB ILE A 22 2.884 8.148 -6.140 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.461 9.247 -8.909 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.192 9.865 -7.871 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.156 7.737 -6.999 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.210 6.233 -6.897 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.466 7.019 -8.474 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.208 11.240 -7.704 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.865 10.445 -6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.153 9.817 -7.204 1.00 0.00 H new ATOM 336 N TYR A 23 1.321 5.792 -5.912 1.00 0.00 N ATOM 337 CA TYR A 23 1.217 4.522 -5.203 1.00 0.00 C ATOM 338 C TYR A 23 0.136 3.640 -5.822 1.00 0.00 C ATOM 339 O TYR A 23 0.384 2.485 -6.170 1.00 0.00 O ATOM 340 CB TYR A 23 0.910 4.762 -3.724 1.00 0.00 C ATOM 341 CG TYR A 23 1.979 5.553 -3.005 1.00 0.00 C ATOM 342 CD1 TYR A 23 3.324 5.240 -3.159 1.00 0.00 C ATOM 343 CD2 TYR A 23 1.644 6.612 -2.170 1.00 0.00 C ATOM 344 CE1 TYR A 23 4.305 5.960 -2.503 1.00 0.00 C ATOM 345 CE2 TYR A 23 2.618 7.338 -1.512 1.00 0.00 C ATOM 346 CZ TYR A 23 3.947 7.008 -1.681 1.00 0.00 C ATOM 347 OH TYR A 23 4.919 7.727 -1.026 1.00 0.00 O ATOM 0 H TYR A 23 1.028 6.604 -5.368 1.00 0.00 H new ATOM 0 HA TYR A 23 2.174 4.008 -5.289 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.040 5.290 -3.640 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.785 3.800 -3.227 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.608 4.420 -3.802 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.605 6.872 -2.033 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.346 5.703 -2.633 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.340 8.160 -0.869 1.00 0.00 H new ATOM 0 HH TYR A 23 4.535 8.562 -0.687 1.00 0.00 H new ATOM 357 N THR A 24 -1.065 4.194 -5.956 1.00 0.00 N ATOM 358 CA THR A 24 -2.185 3.460 -6.531 1.00 0.00 C ATOM 359 C THR A 24 -1.740 2.629 -7.730 1.00 0.00 C ATOM 360 O THR A 24 -1.981 1.423 -7.785 1.00 0.00 O ATOM 361 CB THR A 24 -3.314 4.411 -6.971 1.00 0.00 C ATOM 362 OG1 THR A 24 -3.810 5.137 -5.841 1.00 0.00 O ATOM 363 CG2 THR A 24 -4.450 3.638 -7.622 1.00 0.00 C ATOM 0 H THR A 24 -1.287 5.149 -5.674 1.00 0.00 H new ATOM 0 HA THR A 24 -2.562 2.797 -5.752 1.00 0.00 H new ATOM 0 HB THR A 24 -2.907 5.110 -7.702 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.142 5.795 -5.556 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.235 4.331 -7.924 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.075 3.110 -8.499 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.855 2.918 -6.910 1.00 0.00 H new ATOM 371 N ASP A 25 -1.090 3.281 -8.687 1.00 0.00 N ATOM 372 CA ASP A 25 -0.610 2.602 -9.885 1.00 0.00 C ATOM 373 C ASP A 25 0.504 1.617 -9.541 1.00 0.00 C ATOM 374 O ASP A 25 0.569 0.521 -10.097 1.00 0.00 O ATOM 375 CB ASP A 25 -0.108 3.621 -10.909 1.00 0.00 C ATOM 376 CG ASP A 25 -0.048 3.051 -12.312 1.00 0.00 C ATOM 377 OD1 ASP A 25 0.146 1.825 -12.446 1.00 0.00 O ATOM 378 OD2 ASP A 25 -0.196 3.831 -13.276 1.00 0.00 O ATOM 0 H ASP A 25 -0.883 4.279 -8.657 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.443 2.046 -10.316 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.763 4.492 -10.902 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.884 3.966 -10.618 1.00 0.00 H new ATOM 383 N TRP A 26 1.377 2.016 -8.624 1.00 0.00 N ATOM 384 CA TRP A 26 2.488 1.169 -8.207 1.00 0.00 C ATOM 385 C TRP A 26 1.988 -0.189 -7.729 1.00 0.00 C ATOM 386 O TRP A 26 2.537 -1.228 -8.096 1.00 0.00 O ATOM 387 CB TRP A 26 3.289 1.851 -7.097 1.00 0.00 C ATOM 388 CG TRP A 26 4.401 1.003 -6.559 1.00 0.00 C ATOM 389 CD1 TRP A 26 5.604 0.755 -7.155 1.00 0.00 C ATOM 390 CD2 TRP A 26 4.411 0.290 -5.318 1.00 0.00 C ATOM 391 NE1 TRP A 26 6.362 -0.070 -6.359 1.00 0.00 N ATOM 392 CE2 TRP A 26 5.653 -0.368 -5.226 1.00 0.00 C ATOM 393 CE3 TRP A 26 3.494 0.145 -4.274 1.00 0.00 C ATOM 394 CZ2 TRP A 26 5.997 -1.159 -4.132 1.00 0.00 C ATOM 395 CZ3 TRP A 26 3.836 -0.640 -3.190 1.00 0.00 C ATOM 396 CH2 TRP A 26 5.080 -1.283 -3.125 1.00 0.00 C ATOM 0 H TRP A 26 1.337 2.921 -8.155 1.00 0.00 H new ATOM 0 HA TRP A 26 3.136 1.014 -9.069 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.705 2.783 -7.479 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.615 2.114 -6.282 1.00 0.00 H new ATOM 0 HD1 TRP A 26 5.914 1.149 -8.111 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.300 -0.406 -6.577 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.534 0.638 -4.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 6.954 -1.657 -4.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.133 -0.760 -2.379 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.319 -1.888 -2.263 1.00 0.00 H new ATOM 407 N ALA A 27 0.943 -0.175 -6.908 1.00 0.00 N ATOM 408 CA ALA A 27 0.368 -1.406 -6.381 1.00 0.00 C ATOM 409 C ALA A 27 -0.368 -2.178 -7.471 1.00 0.00 C ATOM 410 O ALA A 27 -0.185 -3.386 -7.620 1.00 0.00 O ATOM 411 CB ALA A 27 -0.572 -1.098 -5.225 1.00 0.00 C ATOM 0 H ALA A 27 0.477 0.676 -6.593 1.00 0.00 H new ATOM 0 HA ALA A 27 1.183 -2.031 -6.015 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.994 -2.027 -4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.020 -0.595 -4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.377 -0.451 -5.573 1.00 0.00 H new ATOM 417 N ASN A 28 -1.200 -1.473 -8.231 1.00 0.00 N ATOM 418 CA ASN A 28 -1.964 -2.094 -9.307 1.00 0.00 C ATOM 419 C ASN A 28 -1.140 -3.167 -10.010 1.00 0.00 C ATOM 420 O ASN A 28 -1.587 -4.304 -10.168 1.00 0.00 O ATOM 421 CB ASN A 28 -2.414 -1.036 -10.317 1.00 0.00 C ATOM 422 CG ASN A 28 -3.760 -0.434 -9.963 1.00 0.00 C ATOM 423 OD1 ASN A 28 -4.681 -0.422 -10.781 1.00 0.00 O ATOM 424 ND2 ASN A 28 -3.880 0.070 -8.741 1.00 0.00 N ATOM 0 H ASN A 28 -1.362 -0.472 -8.122 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.844 -2.566 -8.869 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.667 -0.244 -10.367 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.469 -1.485 -11.309 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.762 0.489 -8.447 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.090 0.038 -8.096 1.00 0.00 H new ATOM 431 N HIS A 29 0.066 -2.799 -10.431 1.00 0.00 N ATOM 432 CA HIS A 29 0.954 -3.731 -11.117 1.00 0.00 C ATOM 433 C HIS A 29 0.985 -5.078 -10.402 1.00 0.00 C ATOM 434 O HIS A 29 0.574 -6.097 -10.958 1.00 0.00 O ATOM 435 CB HIS A 29 2.367 -3.153 -11.201 1.00 0.00 C ATOM 436 CG HIS A 29 3.399 -4.154 -11.622 1.00 0.00 C ATOM 437 ND1 HIS A 29 3.212 -5.035 -12.666 1.00 0.00 N ATOM 438 CD2 HIS A 29 4.636 -4.409 -11.133 1.00 0.00 C ATOM 439 CE1 HIS A 29 4.288 -5.790 -12.800 1.00 0.00 C ATOM 440 NE2 HIS A 29 5.167 -5.430 -11.883 1.00 0.00 N ATOM 0 H HIS A 29 0.451 -1.862 -10.309 1.00 0.00 H new ATOM 0 HA HIS A 29 0.571 -3.884 -12.126 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.370 -2.322 -11.906 1.00 0.00 H new ATOM 0 HB3 HIS A 29 2.643 -2.746 -10.228 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.115 -3.904 -10.308 1.00 0.00 H new ATOM 0 HE1 HIS A 29 4.425 -6.569 -13.535 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.090 -5.843 -11.753 1.00 0.00 H new ATOM 449 N TYR A 30 1.474 -5.076 -9.167 1.00 0.00 N ATOM 450 CA TYR A 30 1.562 -6.299 -8.377 1.00 0.00 C ATOM 451 C TYR A 30 0.253 -7.080 -8.436 1.00 0.00 C ATOM 452 O TYR A 30 0.249 -8.293 -8.650 1.00 0.00 O ATOM 453 CB TYR A 30 1.906 -5.969 -6.924 1.00 0.00 C ATOM 454 CG TYR A 30 3.309 -5.436 -6.740 1.00 0.00 C ATOM 455 CD1 TYR A 30 4.413 -6.267 -6.882 1.00 0.00 C ATOM 456 CD2 TYR A 30 3.530 -4.101 -6.425 1.00 0.00 C ATOM 457 CE1 TYR A 30 5.697 -5.785 -6.714 1.00 0.00 C ATOM 458 CE2 TYR A 30 4.811 -3.609 -6.257 1.00 0.00 C ATOM 459 CZ TYR A 30 5.890 -4.455 -6.403 1.00 0.00 C ATOM 460 OH TYR A 30 7.167 -3.970 -6.235 1.00 0.00 O ATOM 0 H TYR A 30 1.816 -4.241 -8.691 1.00 0.00 H new ATOM 0 HA TYR A 30 2.354 -6.918 -8.799 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.195 -5.233 -6.549 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.785 -6.867 -6.318 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.265 -7.308 -7.128 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.687 -3.436 -6.309 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.544 -6.445 -6.825 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.966 -2.568 -6.013 1.00 0.00 H new ATOM 0 HH TYR A 30 7.128 -3.014 -6.021 1.00 0.00 H new ATOM 470 N LEU A 31 -0.858 -6.376 -8.246 1.00 0.00 N ATOM 471 CA LEU A 31 -2.175 -7.002 -8.279 1.00 0.00 C ATOM 472 C LEU A 31 -2.400 -7.731 -9.599 1.00 0.00 C ATOM 473 O LEU A 31 -2.603 -8.945 -9.623 1.00 0.00 O ATOM 474 CB LEU A 31 -3.266 -5.950 -8.072 1.00 0.00 C ATOM 475 CG LEU A 31 -3.616 -5.622 -6.620 1.00 0.00 C ATOM 476 CD1 LEU A 31 -4.771 -4.635 -6.559 1.00 0.00 C ATOM 477 CD2 LEU A 31 -3.957 -6.892 -5.854 1.00 0.00 C ATOM 0 H LEU A 31 -0.873 -5.372 -8.068 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.223 -7.732 -7.471 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.954 -5.030 -8.566 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.171 -6.291 -8.575 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.746 -5.161 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.006 -4.414 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.491 -3.715 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.646 -5.068 -7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.203 -6.640 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.811 -7.381 -6.322 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.101 -7.566 -5.868 1.00 0.00 H new ATOM 489 N ALA A 32 -2.359 -6.983 -10.697 1.00 0.00 N ATOM 490 CA ALA A 32 -2.554 -7.559 -12.022 1.00 0.00 C ATOM 491 C ALA A 32 -1.376 -8.444 -12.414 1.00 0.00 C ATOM 492 O ALA A 32 -1.427 -9.155 -13.418 1.00 0.00 O ATOM 493 CB ALA A 32 -2.754 -6.457 -13.052 1.00 0.00 C ATOM 0 H ALA A 32 -2.192 -5.977 -10.695 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.449 -8.181 -11.993 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.898 -6.901 -14.037 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.632 -5.867 -12.788 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.875 -5.812 -13.070 1.00 0.00 H new ATOM 499 N LYS A 33 -0.314 -8.396 -11.616 1.00 0.00 N ATOM 500 CA LYS A 33 0.878 -9.194 -11.879 1.00 0.00 C ATOM 501 C LYS A 33 0.716 -10.609 -11.333 1.00 0.00 C ATOM 502 O LYS A 33 1.253 -11.565 -11.892 1.00 0.00 O ATOM 503 CB LYS A 33 2.107 -8.532 -11.253 1.00 0.00 C ATOM 504 CG LYS A 33 3.140 -9.524 -10.745 1.00 0.00 C ATOM 505 CD LYS A 33 4.552 -8.982 -10.889 1.00 0.00 C ATOM 506 CE LYS A 33 4.986 -8.221 -9.646 1.00 0.00 C ATOM 507 NZ LYS A 33 5.500 -9.134 -8.588 1.00 0.00 N ATOM 0 H LYS A 33 -0.255 -7.813 -10.781 1.00 0.00 H new ATOM 0 HA LYS A 33 1.015 -9.254 -12.959 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.574 -7.880 -11.991 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.786 -7.899 -10.426 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.942 -9.752 -9.698 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.050 -10.459 -11.298 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.242 -9.806 -11.072 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.604 -8.324 -11.756 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.760 -7.502 -9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.142 -7.651 -9.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.785 -8.577 -7.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.753 -9.804 -8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.321 -9.659 -8.951 1.00 0.00 H new ATOM 521 N SER A 34 -0.028 -10.736 -10.239 1.00 0.00 N ATOM 522 CA SER A 34 -0.259 -12.034 -9.617 1.00 0.00 C ATOM 523 C SER A 34 -1.623 -12.591 -10.010 1.00 0.00 C ATOM 524 O SER A 34 -2.225 -13.370 -9.272 1.00 0.00 O ATOM 525 CB SER A 34 -0.162 -11.918 -8.094 1.00 0.00 C ATOM 526 OG SER A 34 0.160 -13.167 -7.507 1.00 0.00 O ATOM 0 H SER A 34 -0.481 -9.955 -9.765 1.00 0.00 H new ATOM 0 HA SER A 34 0.510 -12.721 -9.972 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.597 -11.182 -7.830 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.109 -11.557 -7.693 1.00 0.00 H new ATOM 0 HG SER A 34 -0.471 -13.848 -7.821 1.00 0.00 H new ATOM 532 N GLY A 35 -2.106 -12.185 -11.181 1.00 0.00 N ATOM 533 CA GLY A 35 -3.396 -12.652 -11.654 1.00 0.00 C ATOM 534 C GLY A 35 -4.519 -12.327 -10.689 1.00 0.00 C ATOM 535 O GLY A 35 -5.066 -13.219 -10.039 1.00 0.00 O ATOM 0 H GLY A 35 -1.627 -11.541 -11.810 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.610 -12.199 -12.622 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.354 -13.730 -11.809 1.00 0.00 H new ATOM 539 N HIS A 36 -4.864 -11.047 -10.594 1.00 0.00 N ATOM 540 CA HIS A 36 -5.929 -10.606 -9.700 1.00 0.00 C ATOM 541 C HIS A 36 -7.090 -10.010 -10.491 1.00 0.00 C ATOM 542 O HIS A 36 -6.889 -9.380 -11.529 1.00 0.00 O ATOM 543 CB HIS A 36 -5.394 -9.578 -8.703 1.00 0.00 C ATOM 544 CG HIS A 36 -6.105 -9.597 -7.384 1.00 0.00 C ATOM 545 ND1 HIS A 36 -7.231 -8.845 -7.126 1.00 0.00 N ATOM 546 CD2 HIS A 36 -5.843 -10.284 -6.248 1.00 0.00 C ATOM 547 CE1 HIS A 36 -7.631 -9.068 -5.886 1.00 0.00 C ATOM 548 NE2 HIS A 36 -6.806 -9.937 -5.332 1.00 0.00 N ATOM 0 H HIS A 36 -4.422 -10.297 -11.125 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.294 -11.475 -9.153 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.333 -9.763 -8.537 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.480 -8.583 -9.139 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.029 -10.976 -6.091 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -8.487 -8.616 -5.407 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -6.873 -10.293 -4.378 1.00 0.00 H new ATOM 557 N LYS A 37 -8.305 -10.213 -9.993 1.00 0.00 N ATOM 558 CA LYS A 37 -9.498 -9.696 -10.651 1.00 0.00 C ATOM 559 C LYS A 37 -10.020 -8.454 -9.935 1.00 0.00 C ATOM 560 O LYS A 37 -11.214 -8.341 -9.659 1.00 0.00 O ATOM 561 CB LYS A 37 -10.589 -10.769 -10.693 1.00 0.00 C ATOM 562 CG LYS A 37 -10.137 -12.071 -11.330 1.00 0.00 C ATOM 563 CD LYS A 37 -11.094 -13.209 -11.014 1.00 0.00 C ATOM 564 CE LYS A 37 -12.232 -13.276 -12.021 1.00 0.00 C ATOM 565 NZ LYS A 37 -13.391 -12.438 -11.605 1.00 0.00 N ATOM 0 H LYS A 37 -8.489 -10.733 -9.135 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.229 -9.420 -11.671 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.928 -10.970 -9.677 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.446 -10.383 -11.245 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.066 -11.943 -12.410 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.139 -12.324 -10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.550 -14.154 -11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.501 -13.076 -10.012 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.875 -12.943 -12.996 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.555 -14.311 -12.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.255 -12.788 -12.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.503 -12.489 -10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.225 -11.451 -11.887 1.00 0.00 H new ATOM 579 N ARG A 38 -9.117 -7.524 -9.640 1.00 0.00 N ATOM 580 CA ARG A 38 -9.486 -6.291 -8.956 1.00 0.00 C ATOM 581 C ARG A 38 -8.308 -5.322 -8.908 1.00 0.00 C ATOM 582 O ARG A 38 -7.152 -5.738 -8.830 1.00 0.00 O ATOM 583 CB ARG A 38 -9.970 -6.594 -7.537 1.00 0.00 C ATOM 584 CG ARG A 38 -10.237 -5.350 -6.706 1.00 0.00 C ATOM 585 CD ARG A 38 -10.571 -5.703 -5.265 1.00 0.00 C ATOM 586 NE ARG A 38 -11.469 -4.725 -4.656 1.00 0.00 N ATOM 587 CZ ARG A 38 -11.925 -4.822 -3.412 1.00 0.00 C ATOM 588 NH1 ARG A 38 -11.570 -5.847 -2.650 1.00 0.00 N ATOM 589 NH2 ARG A 38 -12.738 -3.892 -2.929 1.00 0.00 N ATOM 0 H ARG A 38 -8.125 -7.601 -9.864 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.296 -5.823 -9.516 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.883 -7.186 -7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.223 -7.206 -7.030 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.362 -4.701 -6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.062 -4.788 -7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.033 -6.690 -5.231 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.651 -5.762 -4.684 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.762 -3.924 -5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.945 -6.564 -3.018 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.922 -5.919 -1.695 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.013 -3.102 -3.513 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.088 -3.967 -1.974 1.00 0.00 H new ATOM 603 N LEU A 39 -8.610 -4.029 -8.956 1.00 0.00 N ATOM 604 CA LEU A 39 -7.576 -3.001 -8.919 1.00 0.00 C ATOM 605 C LEU A 39 -7.802 -2.045 -7.752 1.00 0.00 C ATOM 606 O LEU A 39 -8.740 -2.212 -6.972 1.00 0.00 O ATOM 607 CB LEU A 39 -7.556 -2.221 -10.235 1.00 0.00 C ATOM 608 CG LEU A 39 -6.787 -2.869 -11.387 1.00 0.00 C ATOM 609 CD1 LEU A 39 -6.831 -1.984 -12.622 1.00 0.00 C ATOM 610 CD2 LEU A 39 -5.348 -3.147 -10.978 1.00 0.00 C ATOM 0 H LEU A 39 -9.562 -3.668 -9.021 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.613 -3.493 -8.782 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.586 -2.062 -10.556 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.126 -1.238 -10.045 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.264 -3.819 -11.629 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.279 -2.461 -13.431 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.867 -1.837 -12.927 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.379 -1.019 -12.394 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.816 -3.608 -11.810 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.859 -2.211 -10.709 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.337 -3.821 -10.122 1.00 0.00 H new ATOM 622 N ILE A 40 -6.937 -1.042 -7.639 1.00 0.00 N ATOM 623 CA ILE A 40 -7.044 -0.058 -6.570 1.00 0.00 C ATOM 624 C ILE A 40 -7.492 1.296 -7.111 1.00 0.00 C ATOM 625 O ILE A 40 -6.737 1.980 -7.802 1.00 0.00 O ATOM 626 CB ILE A 40 -5.705 0.116 -5.828 1.00 0.00 C ATOM 627 CG1 ILE A 40 -5.320 -1.181 -5.115 1.00 0.00 C ATOM 628 CG2 ILE A 40 -5.795 1.266 -4.836 1.00 0.00 C ATOM 629 CD1 ILE A 40 -3.908 -1.177 -4.574 1.00 0.00 C ATOM 0 H ILE A 40 -6.154 -0.890 -8.275 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.792 -0.433 -5.871 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.930 0.351 -6.557 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.015 -1.354 -4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.432 -2.014 -5.808 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.841 1.377 -4.320 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.028 2.188 -5.368 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.580 1.058 -4.108 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.704 -2.128 -4.081 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.204 -1.035 -5.394 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.796 -0.365 -3.856 1.00 0.00 H new ATOM 641 N ARG A 41 -8.725 1.676 -6.792 1.00 0.00 N ATOM 642 CA ARG A 41 -9.273 2.948 -7.245 1.00 0.00 C ATOM 643 C ARG A 41 -8.774 4.097 -6.374 1.00 0.00 C ATOM 644 O ARG A 41 -8.066 4.986 -6.848 1.00 0.00 O ATOM 645 CB ARG A 41 -10.802 2.905 -7.224 1.00 0.00 C ATOM 646 CG ARG A 41 -11.414 2.343 -8.497 1.00 0.00 C ATOM 647 CD ARG A 41 -12.909 2.114 -8.343 1.00 0.00 C ATOM 648 NE ARG A 41 -13.458 1.327 -9.444 1.00 0.00 N ATOM 649 CZ ARG A 41 -14.730 0.951 -9.515 1.00 0.00 C ATOM 650 NH1 ARG A 41 -15.580 1.289 -8.555 1.00 0.00 N ATOM 651 NH2 ARG A 41 -15.155 0.236 -10.549 1.00 0.00 N ATOM 0 H ARG A 41 -9.363 1.121 -6.222 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.935 3.117 -8.267 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.128 2.301 -6.377 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.183 3.913 -7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.233 3.031 -9.323 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.925 1.403 -8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.102 1.602 -7.400 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.420 3.076 -8.295 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.831 1.051 -10.199 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.258 1.839 -7.759 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.556 0.999 -8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.505 -0.025 -11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.132 -0.052 -10.603 1.00 0.00 H new ATOM 665 N ASP A 42 -9.149 4.073 -5.100 1.00 0.00 N ATOM 666 CA ASP A 42 -8.739 5.112 -4.162 1.00 0.00 C ATOM 667 C ASP A 42 -7.808 4.544 -3.095 1.00 0.00 C ATOM 668 O ASP A 42 -8.253 3.886 -2.154 1.00 0.00 O ATOM 669 CB ASP A 42 -9.964 5.746 -3.503 1.00 0.00 C ATOM 670 CG ASP A 42 -10.742 6.631 -4.457 1.00 0.00 C ATOM 671 OD1 ASP A 42 -10.109 7.449 -5.157 1.00 0.00 O ATOM 672 OD2 ASP A 42 -11.984 6.507 -4.503 1.00 0.00 O ATOM 0 H ASP A 42 -9.736 3.345 -4.693 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.199 5.878 -4.719 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.618 4.960 -3.126 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -9.646 6.335 -2.643 1.00 0.00 H new ATOM 677 N LEU A 43 -6.514 4.802 -3.249 1.00 0.00 N ATOM 678 CA LEU A 43 -5.519 4.317 -2.299 1.00 0.00 C ATOM 679 C LEU A 43 -6.059 4.363 -0.873 1.00 0.00 C ATOM 680 O LEU A 43 -5.939 3.396 -0.122 1.00 0.00 O ATOM 681 CB LEU A 43 -4.240 5.149 -2.399 1.00 0.00 C ATOM 682 CG LEU A 43 -2.981 4.520 -1.801 1.00 0.00 C ATOM 683 CD1 LEU A 43 -2.467 3.402 -2.694 1.00 0.00 C ATOM 684 CD2 LEU A 43 -1.905 5.576 -1.592 1.00 0.00 C ATOM 0 H LEU A 43 -6.129 5.344 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.291 3.281 -2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.051 5.362 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.413 6.106 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.237 4.094 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.571 2.966 -2.252 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.234 2.633 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.228 3.804 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.016 5.111 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.652 6.032 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.275 6.343 -0.911 1.00 0.00 H new ATOM 696 N GLN A 44 -6.656 5.493 -0.508 1.00 0.00 N ATOM 697 CA GLN A 44 -7.216 5.665 0.827 1.00 0.00 C ATOM 698 C GLN A 44 -8.259 4.592 1.122 1.00 0.00 C ATOM 699 O GLN A 44 -8.293 4.030 2.216 1.00 0.00 O ATOM 700 CB GLN A 44 -7.842 7.054 0.966 1.00 0.00 C ATOM 701 CG GLN A 44 -6.835 8.188 0.867 1.00 0.00 C ATOM 702 CD GLN A 44 -7.484 9.517 0.534 1.00 0.00 C ATOM 703 OE1 GLN A 44 -8.059 9.688 -0.541 1.00 0.00 O ATOM 704 NE2 GLN A 44 -7.395 10.467 1.457 1.00 0.00 N ATOM 0 H GLN A 44 -6.764 6.303 -1.118 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.405 5.566 1.549 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.598 7.182 0.191 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.355 7.118 1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.299 8.276 1.812 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.096 7.947 0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.909 10.282 2.334 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.813 11.382 1.289 1.00 0.00 H new ATOM 713 N GLN A 45 -9.109 4.313 0.138 1.00 0.00 N ATOM 714 CA GLN A 45 -10.153 3.308 0.293 1.00 0.00 C ATOM 715 C GLN A 45 -9.600 1.907 0.055 1.00 0.00 C ATOM 716 O GLN A 45 -10.222 0.912 0.427 1.00 0.00 O ATOM 717 CB GLN A 45 -11.306 3.586 -0.673 1.00 0.00 C ATOM 718 CG GLN A 45 -12.041 4.885 -0.386 1.00 0.00 C ATOM 719 CD GLN A 45 -13.158 4.712 0.624 1.00 0.00 C ATOM 720 OE1 GLN A 45 -12.910 4.561 1.821 1.00 0.00 O ATOM 721 NE2 GLN A 45 -14.397 4.735 0.147 1.00 0.00 N ATOM 0 H GLN A 45 -9.094 4.769 -0.774 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.525 3.362 1.316 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.917 3.616 -1.691 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.015 2.759 -0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.332 5.625 -0.015 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.454 5.277 -1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.556 4.863 -0.852 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.189 4.625 0.780 1.00 0.00 H new ATOM 730 N ASP A 46 -8.429 1.837 -0.569 1.00 0.00 N ATOM 731 CA ASP A 46 -7.792 0.557 -0.857 1.00 0.00 C ATOM 732 C ASP A 46 -7.080 0.015 0.378 1.00 0.00 C ATOM 733 O ASP A 46 -6.597 -1.118 0.382 1.00 0.00 O ATOM 734 CB ASP A 46 -6.798 0.706 -2.010 1.00 0.00 C ATOM 735 CG ASP A 46 -5.640 -0.266 -1.905 1.00 0.00 C ATOM 736 OD1 ASP A 46 -5.891 -1.490 -1.886 1.00 0.00 O ATOM 737 OD2 ASP A 46 -4.482 0.196 -1.842 1.00 0.00 O ATOM 0 H ASP A 46 -7.902 2.651 -0.885 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.569 -0.151 -1.147 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.317 0.548 -2.956 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.413 1.726 -2.024 1.00 0.00 H new ATOM 742 N VAL A 47 -7.017 0.831 1.426 1.00 0.00 N ATOM 743 CA VAL A 47 -6.363 0.433 2.667 1.00 0.00 C ATOM 744 C VAL A 47 -7.238 0.751 3.874 1.00 0.00 C ATOM 745 O VAL A 47 -6.738 1.098 4.945 1.00 0.00 O ATOM 746 CB VAL A 47 -5.002 1.135 2.834 1.00 0.00 C ATOM 747 CG1 VAL A 47 -4.105 0.852 1.639 1.00 0.00 C ATOM 748 CG2 VAL A 47 -5.195 2.632 3.025 1.00 0.00 C ATOM 0 H VAL A 47 -7.411 1.772 1.440 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.203 -0.644 2.611 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.515 0.739 3.725 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.148 1.356 1.775 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.940 -0.222 1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.583 1.219 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.223 3.112 3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.703 3.047 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.797 2.810 3.916 1.00 0.00 H new ATOM 758 N THR A 48 -8.550 0.629 3.696 1.00 0.00 N ATOM 759 CA THR A 48 -9.496 0.903 4.771 1.00 0.00 C ATOM 760 C THR A 48 -9.748 -0.342 5.612 1.00 0.00 C ATOM 761 O THR A 48 -9.951 -0.254 6.823 1.00 0.00 O ATOM 762 CB THR A 48 -10.840 1.416 4.219 1.00 0.00 C ATOM 763 OG1 THR A 48 -11.140 0.767 2.979 1.00 0.00 O ATOM 764 CG2 THR A 48 -10.799 2.923 4.011 1.00 0.00 C ATOM 0 H THR A 48 -8.982 0.342 2.817 1.00 0.00 H new ATOM 0 HA THR A 48 -9.049 1.676 5.396 1.00 0.00 H new ATOM 0 HB THR A 48 -11.618 1.186 4.947 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.666 1.219 2.250 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.758 3.263 3.621 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.599 3.416 4.962 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.010 3.171 3.301 1.00 0.00 H new ATOM 772 N ASP A 49 -9.733 -1.502 4.964 1.00 0.00 N ATOM 773 CA ASP A 49 -9.958 -2.767 5.654 1.00 0.00 C ATOM 774 C ASP A 49 -8.652 -3.538 5.815 1.00 0.00 C ATOM 775 O ASP A 49 -8.547 -4.434 6.652 1.00 0.00 O ATOM 776 CB ASP A 49 -10.975 -3.615 4.889 1.00 0.00 C ATOM 777 CG ASP A 49 -12.170 -2.807 4.423 1.00 0.00 C ATOM 778 OD1 ASP A 49 -12.807 -2.147 5.271 1.00 0.00 O ATOM 779 OD2 ASP A 49 -12.467 -2.834 3.211 1.00 0.00 O ATOM 0 H ASP A 49 -9.567 -1.592 3.962 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.353 -2.547 6.646 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.489 -4.069 4.026 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.318 -4.430 5.527 1.00 0.00 H new ATOM 784 N GLY A 50 -7.657 -3.184 5.007 1.00 0.00 N ATOM 785 CA GLY A 50 -6.371 -3.853 5.074 1.00 0.00 C ATOM 786 C GLY A 50 -6.291 -5.050 4.148 1.00 0.00 C ATOM 787 O GLY A 50 -5.209 -5.423 3.696 1.00 0.00 O ATOM 0 H GLY A 50 -7.719 -2.445 4.307 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.583 -3.145 4.817 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.186 -4.177 6.098 1.00 0.00 H new ATOM 791 N VAL A 51 -7.441 -5.656 3.865 1.00 0.00 N ATOM 792 CA VAL A 51 -7.497 -6.818 2.987 1.00 0.00 C ATOM 793 C VAL A 51 -6.811 -6.535 1.656 1.00 0.00 C ATOM 794 O VAL A 51 -5.738 -7.069 1.371 1.00 0.00 O ATOM 795 CB VAL A 51 -8.951 -7.252 2.722 1.00 0.00 C ATOM 796 CG1 VAL A 51 -8.985 -8.517 1.878 1.00 0.00 C ATOM 797 CG2 VAL A 51 -9.693 -7.455 4.034 1.00 0.00 C ATOM 0 H VAL A 51 -8.346 -5.361 4.232 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.972 -7.626 3.497 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.453 -6.460 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.020 -8.809 1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.492 -8.331 0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.467 -9.319 2.404 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.719 -7.761 3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.194 -8.228 4.619 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.699 -6.522 4.597 1.00 0.00 H new ATOM 807 N LEU A 52 -7.436 -5.690 0.843 1.00 0.00 N ATOM 808 CA LEU A 52 -6.886 -5.334 -0.460 1.00 0.00 C ATOM 809 C LEU A 52 -5.446 -4.849 -0.330 1.00 0.00 C ATOM 810 O LEU A 52 -4.607 -5.123 -1.189 1.00 0.00 O ATOM 811 CB LEU A 52 -7.743 -4.251 -1.119 1.00 0.00 C ATOM 812 CG LEU A 52 -7.768 -4.253 -2.648 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.591 -3.085 -3.169 1.00 0.00 C ATOM 814 CD2 LEU A 52 -6.353 -4.201 -3.204 1.00 0.00 C ATOM 0 H LEU A 52 -8.324 -5.239 1.063 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.894 -6.226 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.766 -4.356 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.385 -3.278 -0.783 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.235 -5.179 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.598 -3.102 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.613 -3.166 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.153 -2.149 -2.824 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.390 -4.203 -4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.860 -3.292 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.794 -5.070 -2.858 1.00 0.00 H new ATOM 826 N LEU A 53 -5.166 -4.129 0.751 1.00 0.00 N ATOM 827 CA LEU A 53 -3.826 -3.607 0.996 1.00 0.00 C ATOM 828 C LEU A 53 -2.806 -4.739 1.072 1.00 0.00 C ATOM 829 O LEU A 53 -1.775 -4.704 0.402 1.00 0.00 O ATOM 830 CB LEU A 53 -3.802 -2.796 2.293 1.00 0.00 C ATOM 831 CG LEU A 53 -2.473 -2.775 3.047 1.00 0.00 C ATOM 832 CD1 LEU A 53 -1.347 -2.320 2.132 1.00 0.00 C ATOM 833 CD2 LEU A 53 -2.567 -1.873 4.269 1.00 0.00 C ATOM 0 H LEU A 53 -5.849 -3.894 1.471 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.559 -2.957 0.163 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.081 -1.768 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.569 -3.191 2.959 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.253 -3.788 3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.409 -2.311 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.264 -3.006 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.560 -1.316 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.612 -1.870 4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.811 -0.858 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.346 -2.243 4.936 1.00 0.00 H new ATOM 845 N ALA A 54 -3.104 -5.742 1.891 1.00 0.00 N ATOM 846 CA ALA A 54 -2.215 -6.887 2.051 1.00 0.00 C ATOM 847 C ALA A 54 -2.029 -7.626 0.730 1.00 0.00 C ATOM 848 O ALA A 54 -0.925 -8.057 0.401 1.00 0.00 O ATOM 849 CB ALA A 54 -2.756 -7.830 3.115 1.00 0.00 C ATOM 0 H ALA A 54 -3.954 -5.785 2.454 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.240 -6.518 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.083 -8.680 3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.830 -7.302 4.066 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.743 -8.185 2.819 1.00 0.00 H new ATOM 855 N GLN A 55 -3.117 -7.770 -0.020 1.00 0.00 N ATOM 856 CA GLN A 55 -3.072 -8.459 -1.304 1.00 0.00 C ATOM 857 C GLN A 55 -1.833 -8.054 -2.097 1.00 0.00 C ATOM 858 O GLN A 55 -1.300 -8.843 -2.878 1.00 0.00 O ATOM 859 CB GLN A 55 -4.333 -8.154 -2.115 1.00 0.00 C ATOM 860 CG GLN A 55 -5.611 -8.657 -1.464 1.00 0.00 C ATOM 861 CD GLN A 55 -6.738 -8.845 -2.461 1.00 0.00 C ATOM 862 OE1 GLN A 55 -7.234 -9.956 -2.652 1.00 0.00 O ATOM 863 NE2 GLN A 55 -7.150 -7.757 -3.102 1.00 0.00 N ATOM 0 H GLN A 55 -4.039 -7.419 0.239 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.023 -9.531 -1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.409 -7.077 -2.261 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.237 -8.604 -3.103 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.411 -9.605 -0.964 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.925 -7.951 -0.695 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.710 -6.856 -2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.906 -7.822 -3.784 1.00 0.00 H new ATOM 872 N ILE A 56 -1.381 -6.822 -1.890 1.00 0.00 N ATOM 873 CA ILE A 56 -0.205 -6.314 -2.585 1.00 0.00 C ATOM 874 C ILE A 56 1.071 -6.637 -1.815 1.00 0.00 C ATOM 875 O ILE A 56 2.018 -7.194 -2.370 1.00 0.00 O ATOM 876 CB ILE A 56 -0.291 -4.791 -2.797 1.00 0.00 C ATOM 877 CG1 ILE A 56 -1.411 -4.454 -3.784 1.00 0.00 C ATOM 878 CG2 ILE A 56 1.041 -4.249 -3.294 1.00 0.00 C ATOM 879 CD1 ILE A 56 -2.751 -4.223 -3.122 1.00 0.00 C ATOM 0 H ILE A 56 -1.811 -6.157 -1.247 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.175 -6.807 -3.557 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.519 -4.318 -1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.133 -3.562 -4.345 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.506 -5.267 -4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.964 -3.171 -3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.817 -4.462 -2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.297 -4.725 -4.240 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -3.497 -3.989 -3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -3.051 -5.122 -2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.673 -3.391 -2.422 1.00 0.00 H new ATOM 891 N ILE A 57 1.087 -6.286 -0.533 1.00 0.00 N ATOM 892 CA ILE A 57 2.245 -6.542 0.314 1.00 0.00 C ATOM 893 C ILE A 57 2.731 -7.979 0.161 1.00 0.00 C ATOM 894 O ILE A 57 3.891 -8.220 -0.171 1.00 0.00 O ATOM 895 CB ILE A 57 1.928 -6.274 1.797 1.00 0.00 C ATOM 896 CG1 ILE A 57 1.333 -4.875 1.969 1.00 0.00 C ATOM 897 CG2 ILE A 57 3.182 -6.430 2.643 1.00 0.00 C ATOM 898 CD1 ILE A 57 1.099 -4.491 3.413 1.00 0.00 C ATOM 0 H ILE A 57 0.311 -5.824 -0.059 1.00 0.00 H new ATOM 0 HA ILE A 57 3.030 -5.859 -0.010 1.00 0.00 H new ATOM 0 HB ILE A 57 1.193 -7.005 2.134 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.002 -4.146 1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.387 -4.822 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.942 -6.237 3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.567 -7.445 2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.938 -5.720 2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.676 -3.487 3.459 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.406 -5.198 3.870 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.046 -4.511 3.953 1.00 0.00 H new ATOM 910 N GLN A 58 1.835 -8.930 0.404 1.00 0.00 N ATOM 911 CA GLN A 58 2.173 -10.344 0.292 1.00 0.00 C ATOM 912 C GLN A 58 2.892 -10.630 -1.022 1.00 0.00 C ATOM 913 O GLN A 58 3.727 -11.531 -1.101 1.00 0.00 O ATOM 914 CB GLN A 58 0.910 -11.202 0.393 1.00 0.00 C ATOM 915 CG GLN A 58 0.271 -11.184 1.772 1.00 0.00 C ATOM 916 CD GLN A 58 -1.169 -11.659 1.754 1.00 0.00 C ATOM 917 OE1 GLN A 58 -2.100 -10.855 1.709 1.00 0.00 O ATOM 918 NE2 GLN A 58 -1.359 -12.973 1.789 1.00 0.00 N ATOM 0 H GLN A 58 0.870 -8.747 0.680 1.00 0.00 H new ATOM 0 HA GLN A 58 2.843 -10.597 1.114 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.183 -10.851 -0.340 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.157 -12.230 0.130 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.850 -11.817 2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.311 -10.171 2.174 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.558 -13.603 1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.306 -13.352 1.779 1.00 0.00 H new ATOM 927 N VAL A 59 2.563 -9.856 -2.051 1.00 0.00 N ATOM 928 CA VAL A 59 3.178 -10.026 -3.362 1.00 0.00 C ATOM 929 C VAL A 59 4.555 -9.373 -3.411 1.00 0.00 C ATOM 930 O VAL A 59 5.576 -10.057 -3.497 1.00 0.00 O ATOM 931 CB VAL A 59 2.299 -9.427 -4.476 1.00 0.00 C ATOM 932 CG1 VAL A 59 2.968 -9.593 -5.832 1.00 0.00 C ATOM 933 CG2 VAL A 59 0.921 -10.072 -4.471 1.00 0.00 C ATOM 0 H VAL A 59 1.874 -9.105 -2.002 1.00 0.00 H new ATOM 0 HA VAL A 59 3.281 -11.099 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 59 2.178 -8.361 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.332 -9.164 -6.606 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.930 -9.081 -5.828 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.121 -10.653 -6.035 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.313 -9.637 -5.264 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.021 -11.145 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.441 -9.897 -3.508 1.00 0.00 H new ATOM 943 N VAL A 60 4.577 -8.045 -3.356 1.00 0.00 N ATOM 944 CA VAL A 60 5.830 -7.299 -3.392 1.00 0.00 C ATOM 945 C VAL A 60 6.839 -7.871 -2.403 1.00 0.00 C ATOM 946 O VAL A 60 8.047 -7.708 -2.569 1.00 0.00 O ATOM 947 CB VAL A 60 5.604 -5.809 -3.076 1.00 0.00 C ATOM 948 CG1 VAL A 60 4.825 -5.650 -1.779 1.00 0.00 C ATOM 949 CG2 VAL A 60 6.934 -5.073 -3.002 1.00 0.00 C ATOM 0 H VAL A 60 3.742 -7.464 -3.286 1.00 0.00 H new ATOM 0 HA VAL A 60 6.226 -7.392 -4.403 1.00 0.00 H new ATOM 0 HB VAL A 60 5.015 -5.370 -3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.675 -4.590 -1.572 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.857 -6.142 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.384 -6.104 -0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.756 -4.021 -2.778 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.550 -5.512 -2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.450 -5.158 -3.958 1.00 0.00 H new ATOM 959 N ALA A 61 6.334 -8.541 -1.372 1.00 0.00 N ATOM 960 CA ALA A 61 7.191 -9.139 -0.356 1.00 0.00 C ATOM 961 C ALA A 61 7.384 -10.631 -0.610 1.00 0.00 C ATOM 962 O ALA A 61 8.344 -11.232 -0.129 1.00 0.00 O ATOM 963 CB ALA A 61 6.607 -8.909 1.030 1.00 0.00 C ATOM 0 H ALA A 61 5.336 -8.683 -1.219 1.00 0.00 H new ATOM 0 HA ALA A 61 8.168 -8.658 -0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.258 -9.361 1.779 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.527 -7.838 1.218 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.618 -9.363 1.088 1.00 0.00 H new ATOM 969 N ASN A 62 6.466 -11.221 -1.368 1.00 0.00 N ATOM 970 CA ASN A 62 6.535 -12.643 -1.684 1.00 0.00 C ATOM 971 C ASN A 62 6.316 -13.490 -0.433 1.00 0.00 C ATOM 972 O ASN A 62 6.923 -14.549 -0.275 1.00 0.00 O ATOM 973 CB ASN A 62 7.889 -12.982 -2.312 1.00 0.00 C ATOM 974 CG ASN A 62 7.851 -14.275 -3.103 1.00 0.00 C ATOM 975 OD1 ASN A 62 7.319 -15.284 -2.640 1.00 0.00 O ATOM 976 ND2 ASN A 62 8.419 -14.251 -4.303 1.00 0.00 N ATOM 0 H ASN A 62 5.666 -10.737 -1.775 1.00 0.00 H new ATOM 0 HA ASN A 62 5.743 -12.870 -2.398 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.197 -12.167 -2.967 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.641 -13.061 -1.527 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.426 -15.091 -4.881 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.848 -13.392 -4.647 1.00 0.00 H new ATOM 983 N GLU A 63 5.445 -13.015 0.451 1.00 0.00 N ATOM 984 CA GLU A 63 5.146 -13.729 1.687 1.00 0.00 C ATOM 985 C GLU A 63 3.647 -13.717 1.974 1.00 0.00 C ATOM 986 O GLU A 63 2.866 -13.124 1.230 1.00 0.00 O ATOM 987 CB GLU A 63 5.906 -13.104 2.859 1.00 0.00 C ATOM 988 CG GLU A 63 6.177 -14.075 3.996 1.00 0.00 C ATOM 989 CD GLU A 63 7.429 -13.725 4.776 1.00 0.00 C ATOM 990 OE1 GLU A 63 8.536 -13.858 4.214 1.00 0.00 O ATOM 991 OE2 GLU A 63 7.302 -13.318 5.950 1.00 0.00 O ATOM 0 H GLU A 63 4.934 -12.140 0.335 1.00 0.00 H new ATOM 0 HA GLU A 63 5.466 -14.764 1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.855 -12.709 2.496 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.334 -12.259 3.243 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.323 -14.084 4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.275 -15.083 3.593 1.00 0.00 H new ATOM 998 N LYS A 64 3.253 -14.376 3.058 1.00 0.00 N ATOM 999 CA LYS A 64 1.849 -14.442 3.445 1.00 0.00 C ATOM 1000 C LYS A 64 1.661 -13.988 4.889 1.00 0.00 C ATOM 1001 O LYS A 64 2.451 -14.337 5.767 1.00 0.00 O ATOM 1002 CB LYS A 64 1.318 -15.868 3.275 1.00 0.00 C ATOM 1003 CG LYS A 64 -0.030 -16.097 3.935 1.00 0.00 C ATOM 1004 CD LYS A 64 -0.819 -17.187 3.228 1.00 0.00 C ATOM 1005 CE LYS A 64 -1.658 -16.620 2.093 1.00 0.00 C ATOM 1006 NZ LYS A 64 -2.156 -17.688 1.183 1.00 0.00 N ATOM 0 H LYS A 64 3.887 -14.872 3.685 1.00 0.00 H new ATOM 0 HA LYS A 64 1.287 -13.771 2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.235 -16.092 2.211 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.041 -16.568 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.117 -16.372 4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.602 -15.169 3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.133 -17.938 2.835 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -1.467 -17.691 3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.504 -16.072 2.506 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.063 -15.906 1.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.723 -17.260 0.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.348 -18.195 0.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.745 -18.355 1.721 1.00 0.00 H new ATOM 1020 N ILE A 65 0.611 -13.210 5.128 1.00 0.00 N ATOM 1021 CA ILE A 65 0.319 -12.711 6.466 1.00 0.00 C ATOM 1022 C ILE A 65 -0.806 -13.508 7.117 1.00 0.00 C ATOM 1023 O ILE A 65 -1.979 -13.321 6.794 1.00 0.00 O ATOM 1024 CB ILE A 65 -0.072 -11.222 6.438 1.00 0.00 C ATOM 1025 CG1 ILE A 65 0.909 -10.431 5.570 1.00 0.00 C ATOM 1026 CG2 ILE A 65 -0.110 -10.658 7.851 1.00 0.00 C ATOM 1027 CD1 ILE A 65 0.404 -9.058 5.185 1.00 0.00 C ATOM 0 H ILE A 65 -0.052 -12.911 4.412 1.00 0.00 H new ATOM 0 HA ILE A 65 1.230 -12.828 7.052 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.068 -11.131 6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.852 -10.325 6.106 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.119 -10.999 4.664 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.388 -9.605 7.815 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.843 -11.207 8.442 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.874 -10.758 8.309 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.151 -8.555 4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.524 -9.156 4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.221 -8.472 6.086 1.00 0.00 H new ATOM 1039 N GLU A 66 -0.440 -14.396 8.036 1.00 0.00 N ATOM 1040 CA GLU A 66 -1.420 -15.221 8.733 1.00 0.00 C ATOM 1041 C GLU A 66 -2.231 -14.386 9.720 1.00 0.00 C ATOM 1042 O GLU A 66 -3.269 -14.825 10.215 1.00 0.00 O ATOM 1043 CB GLU A 66 -0.724 -16.367 9.469 1.00 0.00 C ATOM 1044 CG GLU A 66 0.020 -17.320 8.548 1.00 0.00 C ATOM 1045 CD GLU A 66 0.398 -18.618 9.234 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -0.401 -19.111 10.056 1.00 0.00 O ATOM 1047 OE2 GLU A 66 1.496 -19.141 8.947 1.00 0.00 O ATOM 0 H GLU A 66 0.527 -14.562 8.315 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.101 -15.637 7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -0.022 -15.950 10.191 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.467 -16.928 10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.602 -17.540 7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.922 -16.832 8.179 1.00 0.00 H new ATOM 1054 N ASP A 67 -1.748 -13.181 10.002 1.00 0.00 N ATOM 1055 CA ASP A 67 -2.427 -12.283 10.930 1.00 0.00 C ATOM 1056 C ASP A 67 -3.441 -11.410 10.197 1.00 0.00 C ATOM 1057 O ASP A 67 -3.619 -10.238 10.529 1.00 0.00 O ATOM 1058 CB ASP A 67 -1.410 -11.404 11.658 1.00 0.00 C ATOM 1059 CG ASP A 67 -1.980 -10.780 12.917 1.00 0.00 C ATOM 1060 OD1 ASP A 67 -2.836 -9.878 12.797 1.00 0.00 O ATOM 1061 OD2 ASP A 67 -1.571 -11.193 14.022 1.00 0.00 O ATOM 0 H ASP A 67 -0.889 -12.803 9.602 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.960 -12.891 11.662 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.536 -12.002 11.916 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.070 -10.615 10.987 1.00 0.00 H new ATOM 1066 N ILE A 68 -4.101 -11.989 9.200 1.00 0.00 N ATOM 1067 CA ILE A 68 -5.096 -11.263 8.421 1.00 0.00 C ATOM 1068 C ILE A 68 -6.489 -11.852 8.623 1.00 0.00 C ATOM 1069 O ILE A 68 -6.767 -12.973 8.201 1.00 0.00 O ATOM 1070 CB ILE A 68 -4.758 -11.280 6.919 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -3.400 -10.620 6.672 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -5.847 -10.578 6.122 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -3.379 -9.142 6.996 1.00 0.00 C ATOM 0 H ILE A 68 -3.965 -12.958 8.913 1.00 0.00 H new ATOM 0 HA ILE A 68 -5.084 -10.233 8.776 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.703 -12.317 6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.644 -11.126 7.273 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.122 -10.759 5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.593 -10.599 5.062 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.798 -11.088 6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.932 -9.543 6.455 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.386 -8.740 6.797 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.111 -8.623 6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.626 -8.997 8.048 1.00 0.00 H new ATOM 1085 N ASN A 69 -7.361 -11.085 9.270 1.00 0.00 N ATOM 1086 CA ASN A 69 -8.726 -11.530 9.528 1.00 0.00 C ATOM 1087 C ASN A 69 -9.366 -12.083 8.258 1.00 0.00 C ATOM 1088 O ASN A 69 -9.536 -13.293 8.112 1.00 0.00 O ATOM 1089 CB ASN A 69 -9.566 -10.375 10.075 1.00 0.00 C ATOM 1090 CG ASN A 69 -11.003 -10.780 10.341 1.00 0.00 C ATOM 1091 OD1 ASN A 69 -11.273 -11.899 10.778 1.00 0.00 O ATOM 1092 ND2 ASN A 69 -11.933 -9.870 10.077 1.00 0.00 N ATOM 0 H ASN A 69 -7.147 -10.153 9.625 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.688 -12.326 10.271 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.118 -10.009 10.999 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.550 -9.549 9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.917 -10.086 10.235 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.663 -8.955 9.716 1.00 0.00 H new ATOM 1099 N GLY A 70 -9.719 -11.187 7.341 1.00 0.00 N ATOM 1100 CA GLY A 70 -10.336 -11.604 6.096 1.00 0.00 C ATOM 1101 C GLY A 70 -11.617 -10.849 5.802 1.00 0.00 C ATOM 1102 O GLY A 70 -11.737 -10.198 4.763 1.00 0.00 O ATOM 0 H GLY A 70 -9.589 -10.180 7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.633 -11.453 5.277 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.549 -12.672 6.140 1.00 0.00 H new ATOM 1106 N CYS A 71 -12.576 -10.936 6.717 1.00 0.00 N ATOM 1107 CA CYS A 71 -13.856 -10.256 6.549 1.00 0.00 C ATOM 1108 C CYS A 71 -14.199 -9.430 7.785 1.00 0.00 C ATOM 1109 O CYS A 71 -14.967 -9.851 8.650 1.00 0.00 O ATOM 1110 CB CYS A 71 -14.965 -11.274 6.277 1.00 0.00 C ATOM 1111 SG CYS A 71 -15.198 -11.662 4.527 1.00 0.00 S ATOM 0 H CYS A 71 -12.492 -11.470 7.582 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.773 -9.583 5.696 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.738 -12.194 6.815 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.902 -10.891 6.681 1.00 0.00 H new ATOM 0 HG CYS A 71 -16.155 -12.533 4.399 1.00 0.00 H new ATOM 1117 N PRO A 72 -13.615 -8.226 7.872 1.00 0.00 N ATOM 1118 CA PRO A 72 -13.842 -7.315 8.998 1.00 0.00 C ATOM 1119 C PRO A 72 -15.254 -6.740 9.002 1.00 0.00 C ATOM 1120 O PRO A 72 -15.591 -5.887 8.180 1.00 0.00 O ATOM 1121 CB PRO A 72 -12.813 -6.206 8.771 1.00 0.00 C ATOM 1122 CG PRO A 72 -12.554 -6.224 7.304 1.00 0.00 C ATOM 1123 CD PRO A 72 -12.688 -7.660 6.878 1.00 0.00 C ATOM 0 HA PRO A 72 -13.738 -7.820 9.958 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -13.197 -5.238 9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.900 -6.391 9.337 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.266 -5.592 6.774 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.559 -5.841 7.079 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -13.084 -7.744 5.866 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.726 -8.173 6.887 1.00 0.00 H new ATOM 1131 N LYS A 73 -16.077 -7.210 9.933 1.00 0.00 N ATOM 1132 CA LYS A 73 -17.453 -6.741 10.046 1.00 0.00 C ATOM 1133 C LYS A 73 -17.570 -5.647 11.102 1.00 0.00 C ATOM 1134 O LYS A 73 -18.325 -4.689 10.937 1.00 0.00 O ATOM 1135 CB LYS A 73 -18.383 -7.905 10.396 1.00 0.00 C ATOM 1136 CG LYS A 73 -18.678 -8.822 9.223 1.00 0.00 C ATOM 1137 CD LYS A 73 -19.757 -8.245 8.321 1.00 0.00 C ATOM 1138 CE LYS A 73 -19.901 -9.050 7.039 1.00 0.00 C ATOM 1139 NZ LYS A 73 -18.795 -8.771 6.081 1.00 0.00 N ATOM 0 H LYS A 73 -15.815 -7.916 10.621 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.749 -6.325 9.083 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -17.933 -8.489 11.199 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.322 -7.506 10.779 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -17.767 -8.981 8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -18.995 -9.797 9.593 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -20.709 -8.232 8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.514 -7.211 8.077 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -19.915 -10.113 7.278 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -20.856 -8.816 6.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.974 -9.273 5.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.743 -7.748 5.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.894 -9.096 6.486 1.00 0.00 H new ATOM 1153 N ASN A 74 -16.818 -5.795 12.188 1.00 0.00 N ATOM 1154 CA ASN A 74 -16.837 -4.819 13.271 1.00 0.00 C ATOM 1155 C ASN A 74 -15.975 -3.608 12.927 1.00 0.00 C ATOM 1156 O ASN A 74 -15.126 -3.670 12.037 1.00 0.00 O ATOM 1157 CB ASN A 74 -16.343 -5.458 14.570 1.00 0.00 C ATOM 1158 CG ASN A 74 -16.915 -4.781 15.801 1.00 0.00 C ATOM 1159 OD1 ASN A 74 -17.793 -3.924 15.700 1.00 0.00 O ATOM 1160 ND2 ASN A 74 -16.418 -5.164 16.971 1.00 0.00 N ATOM 0 H ASN A 74 -16.188 -6.582 12.341 1.00 0.00 H new ATOM 0 HA ASN A 74 -17.865 -4.484 13.407 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -16.616 -6.513 14.579 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.255 -5.410 14.605 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -16.763 -4.744 17.834 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.691 -5.878 17.007 1.00 0.00 H new ATOM 1167 N ARG A 75 -16.198 -2.508 13.639 1.00 0.00 N ATOM 1168 CA ARG A 75 -15.442 -1.283 13.409 1.00 0.00 C ATOM 1169 C ARG A 75 -13.961 -1.493 13.708 1.00 0.00 C ATOM 1170 O ARG A 75 -13.095 -0.949 13.022 1.00 0.00 O ATOM 1171 CB ARG A 75 -15.992 -0.149 14.276 1.00 0.00 C ATOM 1172 CG ARG A 75 -15.198 1.142 14.165 1.00 0.00 C ATOM 1173 CD ARG A 75 -15.328 1.985 15.424 1.00 0.00 C ATOM 1174 NE ARG A 75 -15.150 3.409 15.151 1.00 0.00 N ATOM 1175 CZ ARG A 75 -14.866 4.307 16.087 1.00 0.00 C ATOM 1176 NH1 ARG A 75 -14.728 3.932 17.351 1.00 0.00 N ATOM 1177 NH2 ARG A 75 -14.719 5.585 15.759 1.00 0.00 N ATOM 0 H ARG A 75 -16.896 -2.440 14.380 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.548 -1.013 12.358 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -17.026 0.045 13.992 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.002 -0.471 15.317 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -14.148 0.911 13.987 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -15.548 1.713 13.305 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -16.309 1.821 15.870 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.587 1.661 16.155 1.00 0.00 H new ATOM 0 HE ARG A 75 -15.249 3.731 14.188 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.840 2.951 17.607 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.510 4.624 18.067 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.824 5.878 14.788 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.501 6.274 16.478 1.00 0.00 H new ATOM 1191 N SER A 76 -13.677 -2.286 14.736 1.00 0.00 N ATOM 1192 CA SER A 76 -12.301 -2.565 15.129 1.00 0.00 C ATOM 1193 C SER A 76 -11.704 -3.675 14.269 1.00 0.00 C ATOM 1194 O SER A 76 -10.559 -3.584 13.827 1.00 0.00 O ATOM 1195 CB SER A 76 -12.240 -2.961 16.606 1.00 0.00 C ATOM 1196 OG SER A 76 -12.761 -4.263 16.807 1.00 0.00 O ATOM 0 H SER A 76 -14.382 -2.747 15.312 1.00 0.00 H new ATOM 0 HA SER A 76 -11.716 -1.658 14.978 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.208 -2.921 16.954 1.00 0.00 H new ATOM 0 HB3 SER A 76 -12.805 -2.244 17.202 1.00 0.00 H new ATOM 0 HG SER A 76 -12.709 -4.493 17.758 1.00 0.00 H new ATOM 1202 N GLN A 77 -12.490 -4.721 14.036 1.00 0.00 N ATOM 1203 CA GLN A 77 -12.040 -5.849 13.229 1.00 0.00 C ATOM 1204 C GLN A 77 -11.185 -5.375 12.058 1.00 0.00 C ATOM 1205 O GLN A 77 -10.300 -6.092 11.593 1.00 0.00 O ATOM 1206 CB GLN A 77 -13.240 -6.644 12.710 1.00 0.00 C ATOM 1207 CG GLN A 77 -13.758 -7.678 13.697 1.00 0.00 C ATOM 1208 CD GLN A 77 -14.771 -8.620 13.078 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -15.978 -8.457 13.256 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -14.284 -9.614 12.343 1.00 0.00 N ATOM 0 H GLN A 77 -13.441 -4.811 14.394 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.431 -6.495 13.862 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -14.046 -5.952 12.466 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -12.960 -7.146 11.784 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -12.919 -8.256 14.085 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -14.213 -7.168 14.546 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.276 -9.712 12.222 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.918 -10.279 11.900 1.00 0.00 H new ATOM 1219 N MET A 78 -11.457 -4.162 11.587 1.00 0.00 N ATOM 1220 CA MET A 78 -10.711 -3.592 10.471 1.00 0.00 C ATOM 1221 C MET A 78 -9.310 -3.177 10.909 1.00 0.00 C ATOM 1222 O MET A 78 -8.326 -3.471 10.230 1.00 0.00 O ATOM 1223 CB MET A 78 -11.456 -2.386 9.895 1.00 0.00 C ATOM 1224 CG MET A 78 -12.804 -2.739 9.287 1.00 0.00 C ATOM 1225 SD MET A 78 -13.828 -1.287 8.979 1.00 0.00 S ATOM 1226 CE MET A 78 -15.465 -1.964 9.245 1.00 0.00 C ATOM 0 H MET A 78 -12.187 -3.556 11.960 1.00 0.00 H new ATOM 0 HA MET A 78 -10.620 -4.356 9.699 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.604 -1.650 10.685 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.835 -1.915 9.133 1.00 0.00 H new ATOM 0 HG2 MET A 78 -12.647 -3.274 8.350 1.00 0.00 H new ATOM 0 HG3 MET A 78 -13.334 -3.417 9.956 1.00 0.00 H new ATOM 0 HE1 MET A 78 -16.192 -1.398 8.662 1.00 0.00 H new ATOM 0 HE2 MET A 78 -15.482 -3.008 8.932 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.718 -1.898 10.303 1.00 0.00 H new ATOM 1236 N ILE A 79 -9.228 -2.494 12.045 1.00 0.00 N ATOM 1237 CA ILE A 79 -7.947 -2.040 12.572 1.00 0.00 C ATOM 1238 C ILE A 79 -6.902 -3.148 12.507 1.00 0.00 C ATOM 1239 O ILE A 79 -5.846 -2.984 11.897 1.00 0.00 O ATOM 1240 CB ILE A 79 -8.077 -1.557 14.029 1.00 0.00 C ATOM 1241 CG1 ILE A 79 -9.145 -0.467 14.135 1.00 0.00 C ATOM 1242 CG2 ILE A 79 -6.738 -1.045 14.539 1.00 0.00 C ATOM 1243 CD1 ILE A 79 -8.835 0.764 13.312 1.00 0.00 C ATOM 0 H ILE A 79 -10.033 -2.243 12.618 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.627 -1.205 11.948 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.382 -2.400 14.649 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.103 -0.876 13.815 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.255 -0.177 15.180 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -6.846 -0.707 15.570 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.001 -1.847 14.495 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.406 -0.213 13.918 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.634 1.495 13.435 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.893 1.198 13.647 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.754 0.488 12.261 1.00 0.00 H new ATOM 1255 N GLU A 80 -7.205 -4.278 13.139 1.00 0.00 N ATOM 1256 CA GLU A 80 -6.292 -5.415 13.151 1.00 0.00 C ATOM 1257 C GLU A 80 -5.676 -5.633 11.772 1.00 0.00 C ATOM 1258 O GLU A 80 -4.460 -5.554 11.604 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.023 -6.681 13.601 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.199 -6.779 15.108 1.00 0.00 C ATOM 1261 CD GLU A 80 -5.915 -7.158 15.821 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -4.923 -6.409 15.696 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -5.903 -8.204 16.503 1.00 0.00 O ATOM 0 H GLU A 80 -8.075 -4.430 13.649 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.491 -5.197 13.857 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -8.004 -6.712 13.126 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.471 -7.553 13.251 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.555 -5.823 15.492 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.967 -7.519 15.333 1.00 0.00 H new ATOM 1270 N ASN A 81 -6.526 -5.909 10.788 1.00 0.00 N ATOM 1271 CA ASN A 81 -6.067 -6.140 9.423 1.00 0.00 C ATOM 1272 C ASN A 81 -4.883 -5.239 9.088 1.00 0.00 C ATOM 1273 O ASN A 81 -3.750 -5.706 8.965 1.00 0.00 O ATOM 1274 CB ASN A 81 -7.206 -5.895 8.431 1.00 0.00 C ATOM 1275 CG ASN A 81 -8.239 -7.005 8.451 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -8.405 -7.695 9.456 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -8.938 -7.182 7.335 1.00 0.00 N ATOM 0 H ASN A 81 -7.536 -5.978 10.910 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.744 -7.178 9.345 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.691 -4.947 8.665 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.795 -5.803 7.426 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.646 -7.914 7.288 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.766 -6.586 6.526 1.00 0.00 H new ATOM 1284 N ILE A 82 -5.153 -3.946 8.942 1.00 0.00 N ATOM 1285 CA ILE A 82 -4.109 -2.980 8.623 1.00 0.00 C ATOM 1286 C ILE A 82 -2.932 -3.104 9.584 1.00 0.00 C ATOM 1287 O ILE A 82 -1.775 -2.960 9.188 1.00 0.00 O ATOM 1288 CB ILE A 82 -4.645 -1.536 8.669 1.00 0.00 C ATOM 1289 CG1 ILE A 82 -5.850 -1.387 7.738 1.00 0.00 C ATOM 1290 CG2 ILE A 82 -3.549 -0.552 8.289 1.00 0.00 C ATOM 1291 CD1 ILE A 82 -6.841 -0.339 8.195 1.00 0.00 C ATOM 0 H ILE A 82 -6.085 -3.544 9.039 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.773 -3.202 7.610 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.967 -1.315 9.687 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.497 -1.131 6.739 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.359 -2.347 7.660 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.943 0.464 8.326 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.718 -0.645 8.989 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.199 -0.769 7.280 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.669 -0.288 7.488 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.222 -0.604 9.181 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.347 0.631 8.246 1.00 0.00 H new ATOM 1303 N ASP A 83 -3.235 -3.373 10.849 1.00 0.00 N ATOM 1304 CA ASP A 83 -2.201 -3.520 11.868 1.00 0.00 C ATOM 1305 C ASP A 83 -1.233 -4.640 11.502 1.00 0.00 C ATOM 1306 O ASP A 83 -0.016 -4.467 11.566 1.00 0.00 O ATOM 1307 CB ASP A 83 -2.836 -3.803 13.231 1.00 0.00 C ATOM 1308 CG ASP A 83 -1.996 -3.281 14.380 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -1.516 -2.131 14.289 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -1.817 -4.021 15.370 1.00 0.00 O ATOM 0 H ASP A 83 -4.187 -3.494 11.194 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.643 -2.585 11.922 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.825 -3.345 13.270 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.977 -4.878 13.347 1.00 0.00 H new ATOM 1315 N ALA A 84 -1.781 -5.788 11.119 1.00 0.00 N ATOM 1316 CA ALA A 84 -0.965 -6.936 10.741 1.00 0.00 C ATOM 1317 C ALA A 84 0.062 -6.554 9.681 1.00 0.00 C ATOM 1318 O ALA A 84 1.239 -6.901 9.790 1.00 0.00 O ATOM 1319 CB ALA A 84 -1.849 -8.069 10.240 1.00 0.00 C ATOM 0 H ALA A 84 -2.787 -5.948 11.062 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.426 -7.275 11.625 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.227 -8.920 9.961 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.540 -8.367 11.029 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.414 -7.732 9.371 1.00 0.00 H new ATOM 1325 N CYS A 85 -0.391 -5.841 8.656 1.00 0.00 N ATOM 1326 CA CYS A 85 0.490 -5.414 7.574 1.00 0.00 C ATOM 1327 C CYS A 85 1.639 -4.567 8.110 1.00 0.00 C ATOM 1328 O CYS A 85 2.784 -4.710 7.679 1.00 0.00 O ATOM 1329 CB CYS A 85 -0.299 -4.623 6.529 1.00 0.00 C ATOM 1330 SG CYS A 85 -1.680 -5.534 5.801 1.00 0.00 S ATOM 0 H CYS A 85 -1.362 -5.546 8.551 1.00 0.00 H new ATOM 0 HA CYS A 85 0.908 -6.305 7.106 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.681 -3.713 6.991 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.379 -4.316 5.733 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.620 -4.701 5.465 1.00 0.00 H new ATOM 1336 N LEU A 86 1.326 -3.683 9.051 1.00 0.00 N ATOM 1337 CA LEU A 86 2.332 -2.810 9.646 1.00 0.00 C ATOM 1338 C LEU A 86 3.348 -3.618 10.448 1.00 0.00 C ATOM 1339 O LEU A 86 4.556 -3.455 10.282 1.00 0.00 O ATOM 1340 CB LEU A 86 1.665 -1.769 10.547 1.00 0.00 C ATOM 1341 CG LEU A 86 0.621 -0.874 9.879 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -0.151 -0.083 10.923 1.00 0.00 C ATOM 1343 CD2 LEU A 86 1.284 0.064 8.880 1.00 0.00 C ATOM 0 H LEU A 86 0.384 -3.552 9.418 1.00 0.00 H new ATOM 0 HA LEU A 86 2.857 -2.299 8.839 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.190 -2.289 11.379 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.442 -1.133 10.971 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.083 -1.509 9.340 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.889 0.548 10.429 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.657 -0.771 11.600 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.539 0.542 11.490 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.526 0.694 8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.010 0.692 9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.791 -0.521 8.113 1.00 0.00 H new ATOM 1355 N ASN A 87 2.848 -4.490 11.318 1.00 0.00 N ATOM 1356 CA ASN A 87 3.712 -5.325 12.145 1.00 0.00 C ATOM 1357 C ASN A 87 4.506 -6.304 11.286 1.00 0.00 C ATOM 1358 O ASN A 87 5.652 -6.631 11.596 1.00 0.00 O ATOM 1359 CB ASN A 87 2.880 -6.091 13.175 1.00 0.00 C ATOM 1360 CG ASN A 87 2.198 -5.170 14.168 1.00 0.00 C ATOM 1361 OD1 ASN A 87 2.841 -4.608 15.054 1.00 0.00 O ATOM 1362 ND2 ASN A 87 0.887 -5.011 14.023 1.00 0.00 N ATOM 0 H ASN A 87 1.850 -4.637 11.468 1.00 0.00 H new ATOM 0 HA ASN A 87 4.414 -4.675 12.666 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.127 -6.686 12.659 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.524 -6.787 13.712 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.373 -4.403 14.661 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.394 -5.497 13.274 1.00 0.00 H new ATOM 1369 N PHE A 88 3.890 -6.770 10.205 1.00 0.00 N ATOM 1370 CA PHE A 88 4.538 -7.712 9.301 1.00 0.00 C ATOM 1371 C PHE A 88 5.663 -7.034 8.524 1.00 0.00 C ATOM 1372 O PHE A 88 6.709 -7.634 8.273 1.00 0.00 O ATOM 1373 CB PHE A 88 3.516 -8.305 8.328 1.00 0.00 C ATOM 1374 CG PHE A 88 4.126 -8.807 7.051 1.00 0.00 C ATOM 1375 CD1 PHE A 88 4.673 -10.078 6.982 1.00 0.00 C ATOM 1376 CD2 PHE A 88 4.151 -8.009 5.919 1.00 0.00 C ATOM 1377 CE1 PHE A 88 5.235 -10.542 5.807 1.00 0.00 C ATOM 1378 CE2 PHE A 88 4.711 -8.468 4.741 1.00 0.00 C ATOM 1379 CZ PHE A 88 5.253 -9.737 4.686 1.00 0.00 C ATOM 0 H PHE A 88 2.942 -6.510 9.934 1.00 0.00 H new ATOM 0 HA PHE A 88 4.967 -8.515 9.900 1.00 0.00 H new ATOM 0 HB2 PHE A 88 2.993 -9.126 8.819 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.769 -7.547 8.091 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.660 -10.713 7.855 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.728 -7.016 5.957 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.660 -11.534 5.766 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.724 -7.835 3.866 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.690 -10.099 3.767 1.00 0.00 H new ATOM 1389 N LEU A 89 5.439 -5.781 8.144 1.00 0.00 N ATOM 1390 CA LEU A 89 6.433 -5.020 7.395 1.00 0.00 C ATOM 1391 C LEU A 89 7.597 -4.611 8.292 1.00 0.00 C ATOM 1392 O LEU A 89 8.755 -4.650 7.879 1.00 0.00 O ATOM 1393 CB LEU A 89 5.791 -3.777 6.775 1.00 0.00 C ATOM 1394 CG LEU A 89 4.938 -4.013 5.529 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.392 -2.696 4.999 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.746 -4.728 4.456 1.00 0.00 C ATOM 0 H LEU A 89 4.578 -5.271 8.342 1.00 0.00 H new ATOM 0 HA LEU A 89 6.819 -5.658 6.600 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.169 -3.298 7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.583 -3.072 6.521 1.00 0.00 H new ATOM 0 HG LEU A 89 4.096 -4.648 5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.787 -2.884 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.777 -2.223 5.764 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.220 -2.036 4.741 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.122 -4.887 3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.608 -4.119 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.087 -5.690 4.838 1.00 0.00 H new ATOM 1408 N ALA A 90 7.280 -4.222 9.523 1.00 0.00 N ATOM 1409 CA ALA A 90 8.299 -3.811 10.480 1.00 0.00 C ATOM 1410 C ALA A 90 9.369 -4.887 10.639 1.00 0.00 C ATOM 1411 O ALA A 90 10.564 -4.593 10.634 1.00 0.00 O ATOM 1412 CB ALA A 90 7.663 -3.494 11.825 1.00 0.00 C ATOM 0 H ALA A 90 6.325 -4.183 9.880 1.00 0.00 H new ATOM 0 HA ALA A 90 8.780 -2.911 10.097 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.436 -3.188 12.530 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.941 -2.686 11.705 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.155 -4.380 12.205 1.00 0.00 H new ATOM 1418 N ALA A 91 8.931 -6.134 10.781 1.00 0.00 N ATOM 1419 CA ALA A 91 9.851 -7.253 10.940 1.00 0.00 C ATOM 1420 C ALA A 91 10.819 -7.340 9.765 1.00 0.00 C ATOM 1421 O ALA A 91 11.900 -7.918 9.878 1.00 0.00 O ATOM 1422 CB ALA A 91 9.078 -8.555 11.087 1.00 0.00 C ATOM 0 H ALA A 91 7.945 -6.394 10.789 1.00 0.00 H new ATOM 0 HA ALA A 91 10.434 -7.085 11.845 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.778 -9.382 11.205 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.433 -8.498 11.963 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.469 -8.719 10.198 1.00 0.00 H new ATOM 1428 N LYS A 92 10.424 -6.762 8.635 1.00 0.00 N ATOM 1429 CA LYS A 92 11.256 -6.773 7.438 1.00 0.00 C ATOM 1430 C LYS A 92 12.262 -5.627 7.464 1.00 0.00 C ATOM 1431 O LYS A 92 13.267 -5.655 6.756 1.00 0.00 O ATOM 1432 CB LYS A 92 10.383 -6.671 6.185 1.00 0.00 C ATOM 1433 CG LYS A 92 9.295 -7.728 6.113 1.00 0.00 C ATOM 1434 CD LYS A 92 9.841 -9.057 5.618 1.00 0.00 C ATOM 1435 CE LYS A 92 8.721 -10.035 5.297 1.00 0.00 C ATOM 1436 NZ LYS A 92 8.233 -9.880 3.899 1.00 0.00 N ATOM 0 H LYS A 92 9.532 -6.280 8.524 1.00 0.00 H new ATOM 0 HA LYS A 92 11.805 -7.714 7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.921 -5.684 6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.018 -6.754 5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.850 -7.861 7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.501 -7.389 5.448 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.449 -8.893 4.728 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.495 -9.488 6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.075 -11.055 5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.894 -9.880 5.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.241 -9.569 3.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 8.813 -9.171 3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.304 -10.792 3.403 1.00 0.00 H new ATOM 1450 N GLY A 93 11.984 -4.620 8.287 1.00 0.00 N ATOM 1451 CA GLY A 93 12.876 -3.480 8.391 1.00 0.00 C ATOM 1452 C GLY A 93 12.237 -2.198 7.896 1.00 0.00 C ATOM 1453 O GLY A 93 12.907 -1.351 7.304 1.00 0.00 O ATOM 0 H GLY A 93 11.158 -4.574 8.883 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.180 -3.354 9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.781 -3.677 7.816 1.00 0.00 H new ATOM 1457 N ILE A 94 10.938 -2.054 8.136 1.00 0.00 N ATOM 1458 CA ILE A 94 10.209 -0.866 7.709 1.00 0.00 C ATOM 1459 C ILE A 94 9.583 -0.149 8.900 1.00 0.00 C ATOM 1460 O ILE A 94 8.843 -0.748 9.679 1.00 0.00 O ATOM 1461 CB ILE A 94 9.104 -1.218 6.696 1.00 0.00 C ATOM 1462 CG1 ILE A 94 9.700 -1.950 5.492 1.00 0.00 C ATOM 1463 CG2 ILE A 94 8.375 0.041 6.250 1.00 0.00 C ATOM 1464 CD1 ILE A 94 8.665 -2.649 4.638 1.00 0.00 C ATOM 0 H ILE A 94 10.369 -2.745 8.624 1.00 0.00 H new ATOM 0 HA ILE A 94 10.932 -0.206 7.230 1.00 0.00 H new ATOM 0 HB ILE A 94 8.385 -1.879 7.179 1.00 0.00 H new ATOM 0 HG12 ILE A 94 10.245 -1.235 4.876 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.424 -2.684 5.845 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.597 -0.223 5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 94 7.923 0.525 7.115 1.00 0.00 H new ATOM 0 HG23 ILE A 94 9.083 0.724 5.781 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.158 -3.147 3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 94 8.136 -3.388 5.240 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.954 -1.917 4.255 1.00 0.00 H new ATOM 1526 N GLY A 98 5.589 5.427 13.351 1.00 0.00 N ATOM 1527 CA GLY A 98 5.062 6.717 12.946 1.00 0.00 C ATOM 1528 C GLY A 98 3.657 6.621 12.387 1.00 0.00 C ATOM 1529 O GLY A 98 2.811 7.472 12.663 1.00 0.00 O ATOM 0 HA2 GLY A 98 5.063 7.391 13.802 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.719 7.155 12.195 1.00 0.00 H new ATOM 1533 N LEU A 99 3.406 5.582 11.597 1.00 0.00 N ATOM 1534 CA LEU A 99 2.093 5.378 10.996 1.00 0.00 C ATOM 1535 C LEU A 99 1.048 5.069 12.062 1.00 0.00 C ATOM 1536 O LEU A 99 1.358 5.011 13.252 1.00 0.00 O ATOM 1537 CB LEU A 99 2.149 4.240 9.975 1.00 0.00 C ATOM 1538 CG LEU A 99 3.219 4.365 8.889 1.00 0.00 C ATOM 1539 CD1 LEU A 99 3.302 3.085 8.073 1.00 0.00 C ATOM 1540 CD2 LEU A 99 2.929 5.556 7.989 1.00 0.00 C ATOM 0 H LEU A 99 4.095 4.868 11.358 1.00 0.00 H new ATOM 0 HA LEU A 99 1.806 6.299 10.489 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.312 3.305 10.511 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.175 4.165 9.491 1.00 0.00 H new ATOM 0 HG LEU A 99 4.183 4.527 9.372 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.068 3.192 7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.558 2.252 8.728 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.339 2.892 7.600 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.701 5.629 7.223 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.957 5.425 7.514 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.922 6.469 8.585 1.00 0.00 H new ATOM 1552 N SER A 100 -0.192 4.867 11.628 1.00 0.00 N ATOM 1553 CA SER A 100 -1.284 4.565 12.546 1.00 0.00 C ATOM 1554 C SER A 100 -2.421 3.850 11.821 1.00 0.00 C ATOM 1555 O SER A 100 -3.085 4.428 10.962 1.00 0.00 O ATOM 1556 CB SER A 100 -1.806 5.849 13.193 1.00 0.00 C ATOM 1557 OG SER A 100 -0.929 6.299 14.212 1.00 0.00 O ATOM 0 H SER A 100 -0.466 4.907 10.646 1.00 0.00 H new ATOM 0 HA SER A 100 -0.899 3.905 13.324 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.915 6.624 12.434 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.796 5.672 13.613 1.00 0.00 H new ATOM 0 HG SER A 100 -0.067 5.841 14.128 1.00 0.00 H new ATOM 1563 N ALA A 101 -2.638 2.587 12.175 1.00 0.00 N ATOM 1564 CA ALA A 101 -3.694 1.792 11.561 1.00 0.00 C ATOM 1565 C ALA A 101 -5.017 2.550 11.553 1.00 0.00 C ATOM 1566 O ALA A 101 -5.680 2.649 10.521 1.00 0.00 O ATOM 1567 CB ALA A 101 -3.848 0.465 12.289 1.00 0.00 C ATOM 0 H ALA A 101 -2.096 2.093 12.884 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.412 1.595 10.527 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.640 -0.118 11.819 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.911 -0.089 12.238 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.104 0.650 13.332 1.00 0.00 H new ATOM 1573 N GLU A 102 -5.396 3.083 12.711 1.00 0.00 N ATOM 1574 CA GLU A 102 -6.641 3.830 12.837 1.00 0.00 C ATOM 1575 C GLU A 102 -6.761 4.877 11.732 1.00 0.00 C ATOM 1576 O GLU A 102 -7.755 4.917 11.008 1.00 0.00 O ATOM 1577 CB GLU A 102 -6.720 4.507 14.207 1.00 0.00 C ATOM 1578 CG GLU A 102 -8.088 5.090 14.520 1.00 0.00 C ATOM 1579 CD GLU A 102 -8.108 5.861 15.826 1.00 0.00 C ATOM 1580 OE1 GLU A 102 -7.336 6.834 15.951 1.00 0.00 O ATOM 1581 OE2 GLU A 102 -8.895 5.491 16.722 1.00 0.00 O ATOM 0 H GLU A 102 -4.858 3.011 13.575 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.468 3.127 12.740 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.459 3.781 14.977 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -5.976 5.302 14.253 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.392 5.750 13.708 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.820 4.284 14.567 1.00 0.00 H new ATOM 1588 N GLU A 103 -5.742 5.721 11.612 1.00 0.00 N ATOM 1589 CA GLU A 103 -5.734 6.769 10.597 1.00 0.00 C ATOM 1590 C GLU A 103 -5.921 6.177 9.203 1.00 0.00 C ATOM 1591 O GLU A 103 -6.691 6.696 8.395 1.00 0.00 O ATOM 1592 CB GLU A 103 -4.425 7.558 10.657 1.00 0.00 C ATOM 1593 CG GLU A 103 -4.218 8.295 11.970 1.00 0.00 C ATOM 1594 CD GLU A 103 -5.032 9.572 12.056 1.00 0.00 C ATOM 1595 OE1 GLU A 103 -6.267 9.478 12.216 1.00 0.00 O ATOM 1596 OE2 GLU A 103 -4.435 10.665 11.963 1.00 0.00 O ATOM 0 H GLU A 103 -4.912 5.700 12.204 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.566 7.444 10.801 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.591 6.874 10.498 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.407 8.278 9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.489 7.639 12.797 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.161 8.534 12.086 1.00 0.00 H new ATOM 1603 N ILE A 104 -5.210 5.088 8.929 1.00 0.00 N ATOM 1604 CA ILE A 104 -5.297 4.426 7.634 1.00 0.00 C ATOM 1605 C ILE A 104 -6.725 3.981 7.339 1.00 0.00 C ATOM 1606 O ILE A 104 -7.213 4.129 6.218 1.00 0.00 O ATOM 1607 CB ILE A 104 -4.365 3.201 7.564 1.00 0.00 C ATOM 1608 CG1 ILE A 104 -2.906 3.634 7.720 1.00 0.00 C ATOM 1609 CG2 ILE A 104 -4.566 2.458 6.252 1.00 0.00 C ATOM 1610 CD1 ILE A 104 -1.918 2.502 7.544 1.00 0.00 C ATOM 0 H ILE A 104 -4.568 4.646 9.587 1.00 0.00 H new ATOM 0 HA ILE A 104 -4.984 5.154 6.886 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.613 2.526 8.383 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.687 4.414 6.990 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.770 4.074 8.708 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.901 1.595 6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.600 2.122 6.179 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.341 3.124 5.419 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.904 2.882 7.668 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.111 1.731 8.290 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.027 2.076 6.547 1.00 0.00 H new ATOM 1622 N ARG A 105 -7.392 3.438 8.352 1.00 0.00 N ATOM 1623 CA ARG A 105 -8.765 2.973 8.202 1.00 0.00 C ATOM 1624 C ARG A 105 -9.704 4.137 7.903 1.00 0.00 C ATOM 1625 O ARG A 105 -10.730 3.967 7.246 1.00 0.00 O ATOM 1626 CB ARG A 105 -9.222 2.247 9.469 1.00 0.00 C ATOM 1627 CG ARG A 105 -10.693 1.865 9.456 1.00 0.00 C ATOM 1628 CD ARG A 105 -11.143 1.334 10.808 1.00 0.00 C ATOM 1629 NE ARG A 105 -12.575 1.525 11.021 1.00 0.00 N ATOM 1630 CZ ARG A 105 -13.144 2.716 11.166 1.00 0.00 C ATOM 1631 NH1 ARG A 105 -12.407 3.817 11.119 1.00 0.00 N ATOM 1632 NH2 ARG A 105 -14.454 2.808 11.357 1.00 0.00 N ATOM 0 H ARG A 105 -7.003 3.309 9.286 1.00 0.00 H new ATOM 0 HA ARG A 105 -8.797 2.279 7.362 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.623 1.346 9.597 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.028 2.884 10.332 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.293 2.734 9.187 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.867 1.109 8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.904 0.273 10.879 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -10.588 1.839 11.599 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.171 0.698 11.061 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.400 3.751 10.971 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.847 4.730 11.231 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -15.025 1.963 11.393 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.890 3.723 11.468 1.00 0.00 H new ATOM 1646 N ASN A 106 -9.346 5.320 8.392 1.00 0.00 N ATOM 1647 CA ASN A 106 -10.157 6.513 8.179 1.00 0.00 C ATOM 1648 C ASN A 106 -9.967 7.055 6.765 1.00 0.00 C ATOM 1649 O ASN A 106 -10.817 7.776 6.245 1.00 0.00 O ATOM 1650 CB ASN A 106 -9.796 7.591 9.203 1.00 0.00 C ATOM 1651 CG ASN A 106 -10.420 7.331 10.560 1.00 0.00 C ATOM 1652 OD1 ASN A 106 -11.506 6.759 10.657 1.00 0.00 O ATOM 1653 ND2 ASN A 106 -9.735 7.752 11.617 1.00 0.00 N ATOM 0 H ASN A 106 -8.499 5.478 8.939 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.204 6.237 8.306 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.712 7.640 9.308 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.125 8.563 8.835 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.105 7.606 12.556 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.839 8.222 11.490 1.00 0.00 H new ATOM 1660 N GLY A 107 -8.844 6.701 6.148 1.00 0.00 N ATOM 1661 CA GLY A 107 -8.561 7.159 4.800 1.00 0.00 C ATOM 1662 C GLY A 107 -7.704 8.409 4.780 1.00 0.00 C ATOM 1663 O GLY A 107 -7.675 9.134 3.787 1.00 0.00 O ATOM 0 H GLY A 107 -8.125 6.105 6.558 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.055 6.366 4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.500 7.357 4.283 1.00 0.00 H new ATOM 1667 N ASN A 108 -7.006 8.663 5.882 1.00 0.00 N ATOM 1668 CA ASN A 108 -6.145 9.836 5.988 1.00 0.00 C ATOM 1669 C ASN A 108 -4.958 9.727 5.037 1.00 0.00 C ATOM 1670 O ASN A 108 -4.043 8.933 5.257 1.00 0.00 O ATOM 1671 CB ASN A 108 -5.648 10.001 7.426 1.00 0.00 C ATOM 1672 CG ASN A 108 -4.623 11.111 7.559 1.00 0.00 C ATOM 1673 OD1 ASN A 108 -3.841 11.362 6.642 1.00 0.00 O ATOM 1674 ND2 ASN A 108 -4.621 11.780 8.706 1.00 0.00 N ATOM 0 H ASN A 108 -7.019 8.073 6.714 1.00 0.00 H new ATOM 0 HA ASN A 108 -6.731 10.712 5.710 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -6.495 10.212 8.078 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -5.210 9.063 7.766 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.953 12.536 8.854 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -5.288 11.538 9.439 1.00 0.00 H new ATOM 1681 N LEU A 109 -4.978 10.531 3.980 1.00 0.00 N ATOM 1682 CA LEU A 109 -3.903 10.527 2.994 1.00 0.00 C ATOM 1683 C LEU A 109 -2.539 10.571 3.676 1.00 0.00 C ATOM 1684 O LEU A 109 -1.703 9.690 3.475 1.00 0.00 O ATOM 1685 CB LEU A 109 -4.050 11.717 2.044 1.00 0.00 C ATOM 1686 CG LEU A 109 -3.498 11.520 0.632 1.00 0.00 C ATOM 1687 CD1 LEU A 109 -4.313 10.479 -0.119 1.00 0.00 C ATOM 1688 CD2 LEU A 109 -3.488 12.840 -0.125 1.00 0.00 C ATOM 0 H LEU A 109 -5.727 11.195 3.784 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.973 9.603 2.421 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.108 11.967 1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.551 12.577 2.491 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.472 11.161 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.906 10.352 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -4.269 9.529 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.350 10.809 -0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.092 12.681 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.504 13.228 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -2.860 13.558 0.403 1.00 0.00 H new ATOM 1700 N LYS A 110 -2.321 11.602 4.486 1.00 0.00 N ATOM 1701 CA LYS A 110 -1.061 11.761 5.201 1.00 0.00 C ATOM 1702 C LYS A 110 -0.624 10.443 5.832 1.00 0.00 C ATOM 1703 O LYS A 110 0.568 10.195 6.012 1.00 0.00 O ATOM 1704 CB LYS A 110 -1.196 12.836 6.282 1.00 0.00 C ATOM 1705 CG LYS A 110 -0.851 14.233 5.797 1.00 0.00 C ATOM 1706 CD LYS A 110 0.631 14.366 5.491 1.00 0.00 C ATOM 1707 CE LYS A 110 1.047 15.825 5.372 1.00 0.00 C ATOM 1708 NZ LYS A 110 2.474 16.027 5.747 1.00 0.00 N ATOM 0 H LYS A 110 -3.002 12.340 4.663 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.301 12.070 4.483 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.219 12.834 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.547 12.581 7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.430 14.462 4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.134 14.963 6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.211 13.884 6.278 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.860 13.844 4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.889 16.166 4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 110 0.413 16.437 6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.719 17.033 5.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.620 15.726 6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 3.081 15.463 5.119 1.00 0.00 H new ATOM 1722 N ALA A 111 -1.596 9.600 6.165 1.00 0.00 N ATOM 1723 CA ALA A 111 -1.311 8.306 6.772 1.00 0.00 C ATOM 1724 C ALA A 111 -0.946 7.271 5.713 1.00 0.00 C ATOM 1725 O ALA A 111 0.160 6.729 5.715 1.00 0.00 O ATOM 1726 CB ALA A 111 -2.504 7.831 7.588 1.00 0.00 C ATOM 0 H ALA A 111 -2.588 9.790 6.024 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.455 8.425 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.277 6.863 8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.717 8.554 8.376 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.374 7.735 6.938 1.00 0.00 H new ATOM 1732 N ILE A 112 -1.883 7.000 4.810 1.00 0.00 N ATOM 1733 CA ILE A 112 -1.659 6.030 3.745 1.00 0.00 C ATOM 1734 C ILE A 112 -0.341 6.297 3.027 1.00 0.00 C ATOM 1735 O ILE A 112 0.508 5.411 2.915 1.00 0.00 O ATOM 1736 CB ILE A 112 -2.805 6.050 2.716 1.00 0.00 C ATOM 1737 CG1 ILE A 112 -4.122 5.641 3.379 1.00 0.00 C ATOM 1738 CG2 ILE A 112 -2.484 5.128 1.549 1.00 0.00 C ATOM 1739 CD1 ILE A 112 -4.899 6.807 3.948 1.00 0.00 C ATOM 0 H ILE A 112 -2.804 7.438 4.795 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.621 5.047 4.215 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.913 7.065 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.743 5.124 2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.912 4.930 4.178 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.303 5.153 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.566 5.460 1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.353 4.110 1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.821 6.443 4.402 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.297 7.312 4.704 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.140 7.508 3.149 1.00 0.00 H new ATOM 1751 N LEU A 113 -0.175 7.523 2.543 1.00 0.00 N ATOM 1752 CA LEU A 113 1.042 7.908 1.836 1.00 0.00 C ATOM 1753 C LEU A 113 2.282 7.451 2.598 1.00 0.00 C ATOM 1754 O LEU A 113 3.259 7.000 2.001 1.00 0.00 O ATOM 1755 CB LEU A 113 1.082 9.424 1.637 1.00 0.00 C ATOM 1756 CG LEU A 113 -0.056 10.022 0.808 1.00 0.00 C ATOM 1757 CD1 LEU A 113 0.156 11.514 0.609 1.00 0.00 C ATOM 1758 CD2 LEU A 113 -0.167 9.313 -0.534 1.00 0.00 C ATOM 0 H LEU A 113 -0.867 8.267 2.627 1.00 0.00 H new ATOM 0 HA LEU A 113 1.036 7.420 0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.079 9.899 2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.027 9.683 1.160 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.990 9.878 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.663 11.922 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.185 12.010 1.579 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.099 11.681 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.982 9.751 -1.111 1.00 0.00 H new ATOM 0 HD22 LEU A 113 0.768 9.425 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.367 8.254 -0.371 1.00 0.00 H new ATOM 1770 N GLY A 114 2.234 7.570 3.921 1.00 0.00 N ATOM 1771 CA GLY A 114 3.359 7.163 4.744 1.00 0.00 C ATOM 1772 C GLY A 114 3.658 5.682 4.625 1.00 0.00 C ATOM 1773 O GLY A 114 4.820 5.274 4.611 1.00 0.00 O ATOM 0 H GLY A 114 1.437 7.941 4.438 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.242 7.733 4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.150 7.406 5.786 1.00 0.00 H new ATOM 1777 N LEU A 115 2.607 4.873 4.542 1.00 0.00 N ATOM 1778 CA LEU A 115 2.763 3.427 4.426 1.00 0.00 C ATOM 1779 C LEU A 115 3.386 3.052 3.086 1.00 0.00 C ATOM 1780 O LEU A 115 4.447 2.430 3.035 1.00 0.00 O ATOM 1781 CB LEU A 115 1.408 2.734 4.583 1.00 0.00 C ATOM 1782 CG LEU A 115 1.245 1.403 3.849 1.00 0.00 C ATOM 1783 CD1 LEU A 115 0.276 0.498 4.593 1.00 0.00 C ATOM 1784 CD2 LEU A 115 0.771 1.635 2.422 1.00 0.00 C ATOM 0 H LEU A 115 1.639 5.193 4.553 1.00 0.00 H new ATOM 0 HA LEU A 115 3.430 3.093 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 115 1.230 2.564 5.645 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.632 3.415 4.235 1.00 0.00 H new ATOM 0 HG LEU A 115 2.216 0.910 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.173 -0.445 4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.656 0.304 5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.697 0.985 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.661 0.676 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.189 2.150 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.502 2.245 1.890 1.00 0.00 H new ATOM 1796 N PHE A 116 2.720 3.435 2.001 1.00 0.00 N ATOM 1797 CA PHE A 116 3.209 3.141 0.660 1.00 0.00 C ATOM 1798 C PHE A 116 4.518 3.876 0.384 1.00 0.00 C ATOM 1799 O PHE A 116 5.248 3.539 -0.548 1.00 0.00 O ATOM 1800 CB PHE A 116 2.162 3.531 -0.385 1.00 0.00 C ATOM 1801 CG PHE A 116 1.206 2.421 -0.718 1.00 0.00 C ATOM 1802 CD1 PHE A 116 1.598 1.373 -1.534 1.00 0.00 C ATOM 1803 CD2 PHE A 116 -0.086 2.427 -0.216 1.00 0.00 C ATOM 1804 CE1 PHE A 116 0.721 0.350 -1.843 1.00 0.00 C ATOM 1805 CE2 PHE A 116 -0.967 1.408 -0.520 1.00 0.00 C ATOM 1806 CZ PHE A 116 -0.564 0.368 -1.336 1.00 0.00 C ATOM 0 H PHE A 116 1.840 3.950 2.025 1.00 0.00 H new ATOM 0 HA PHE A 116 3.395 2.069 0.596 1.00 0.00 H new ATOM 0 HB2 PHE A 116 1.597 4.389 -0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 116 2.670 3.848 -1.296 1.00 0.00 H new ATOM 0 HD1 PHE A 116 2.601 1.355 -1.934 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.407 3.238 0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 116 1.040 -0.462 -2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.970 1.424 -0.120 1.00 0.00 H new ATOM 0 HZ PHE A 116 -1.252 -0.429 -1.577 1.00 0.00 H new ATOM 1816 N PHE A 117 4.806 4.884 1.201 1.00 0.00 N ATOM 1817 CA PHE A 117 6.025 5.669 1.045 1.00 0.00 C ATOM 1818 C PHE A 117 7.248 4.867 1.480 1.00 0.00 C ATOM 1819 O PHE A 117 8.324 4.988 0.893 1.00 0.00 O ATOM 1820 CB PHE A 117 5.932 6.961 1.859 1.00 0.00 C ATOM 1821 CG PHE A 117 7.270 7.511 2.265 1.00 0.00 C ATOM 1822 CD1 PHE A 117 8.261 7.724 1.321 1.00 0.00 C ATOM 1823 CD2 PHE A 117 7.535 7.816 3.590 1.00 0.00 C ATOM 1824 CE1 PHE A 117 9.493 8.230 1.692 1.00 0.00 C ATOM 1825 CE2 PHE A 117 8.765 8.322 3.967 1.00 0.00 C ATOM 1826 CZ PHE A 117 9.745 8.530 3.016 1.00 0.00 C ATOM 0 H PHE A 117 4.212 5.176 1.977 1.00 0.00 H new ATOM 0 HA PHE A 117 6.134 5.920 -0.010 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.402 7.712 1.274 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.338 6.775 2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 117 8.069 7.492 0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.772 7.657 4.337 1.00 0.00 H new ATOM 0 HE1 PHE A 117 10.258 8.391 0.947 1.00 0.00 H new ATOM 0 HE2 PHE A 117 8.959 8.554 5.004 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.706 8.926 3.307 1.00 0.00 H new ATOM 1836 N SER A 118 7.075 4.049 2.512 1.00 0.00 N ATOM 1837 CA SER A 118 8.165 3.229 3.030 1.00 0.00 C ATOM 1838 C SER A 118 8.140 1.836 2.408 1.00 0.00 C ATOM 1839 O SER A 118 9.167 1.324 1.962 1.00 0.00 O ATOM 1840 CB SER A 118 8.072 3.122 4.553 1.00 0.00 C ATOM 1841 OG SER A 118 6.793 2.663 4.955 1.00 0.00 O ATOM 0 H SER A 118 6.190 3.936 3.007 1.00 0.00 H new ATOM 0 HA SER A 118 9.106 3.710 2.764 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.839 2.440 4.920 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.270 4.095 5.002 1.00 0.00 H new ATOM 0 HG SER A 118 6.155 3.406 4.926 1.00 0.00 H new ATOM 1847 N LEU A 119 6.959 1.228 2.382 1.00 0.00 N ATOM 1848 CA LEU A 119 6.798 -0.106 1.815 1.00 0.00 C ATOM 1849 C LEU A 119 7.507 -0.215 0.469 1.00 0.00 C ATOM 1850 O LEU A 119 8.273 -1.150 0.234 1.00 0.00 O ATOM 1851 CB LEU A 119 5.313 -0.436 1.650 1.00 0.00 C ATOM 1852 CG LEU A 119 4.982 -1.580 0.691 1.00 0.00 C ATOM 1853 CD1 LEU A 119 5.755 -2.834 1.069 1.00 0.00 C ATOM 1854 CD2 LEU A 119 3.486 -1.854 0.685 1.00 0.00 C ATOM 0 H LEU A 119 6.099 1.638 2.747 1.00 0.00 H new ATOM 0 HA LEU A 119 7.249 -0.822 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.905 -0.681 2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.798 0.461 1.305 1.00 0.00 H new ATOM 0 HG LEU A 119 5.281 -1.284 -0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.507 -3.637 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.825 -2.630 1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.488 -3.134 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.269 -2.671 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.162 -2.129 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 119 2.953 -0.959 0.365 1.00 0.00 H new ATOM 1866 N SER A 120 7.249 0.748 -0.410 1.00 0.00 N ATOM 1867 CA SER A 120 7.862 0.759 -1.733 1.00 0.00 C ATOM 1868 C SER A 120 9.381 0.668 -1.629 1.00 0.00 C ATOM 1869 O SER A 120 10.020 -0.087 -2.361 1.00 0.00 O ATOM 1870 CB SER A 120 7.466 2.028 -2.491 1.00 0.00 C ATOM 1871 OG SER A 120 7.796 1.925 -3.865 1.00 0.00 O ATOM 0 H SER A 120 6.620 1.530 -0.230 1.00 0.00 H new ATOM 0 HA SER A 120 7.500 -0.111 -2.281 1.00 0.00 H new ATOM 0 HB2 SER A 120 6.395 2.201 -2.383 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.973 2.889 -2.055 1.00 0.00 H new ATOM 0 HG SER A 120 7.214 1.262 -4.292 1.00 0.00 H new ATOM 1877 N ARG A 121 9.953 1.444 -0.714 1.00 0.00 N ATOM 1878 CA ARG A 121 11.397 1.453 -0.514 1.00 0.00 C ATOM 1879 C ARG A 121 11.915 0.046 -0.231 1.00 0.00 C ATOM 1880 O ARG A 121 12.871 -0.412 -0.859 1.00 0.00 O ATOM 1881 CB ARG A 121 11.767 2.386 0.641 1.00 0.00 C ATOM 1882 CG ARG A 121 11.285 3.814 0.448 1.00 0.00 C ATOM 1883 CD ARG A 121 11.886 4.750 1.486 1.00 0.00 C ATOM 1884 NE ARG A 121 13.303 5.001 1.241 1.00 0.00 N ATOM 1885 CZ ARG A 121 13.758 5.695 0.204 1.00 0.00 C ATOM 1886 NH1 ARG A 121 12.911 6.205 -0.680 1.00 0.00 N ATOM 1887 NH2 ARG A 121 15.063 5.881 0.049 1.00 0.00 N ATOM 0 H ARG A 121 9.438 2.075 -0.099 1.00 0.00 H new ATOM 0 HA ARG A 121 11.864 1.816 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.346 1.991 1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.850 2.390 0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 121 11.552 4.157 -0.551 1.00 0.00 H new ATOM 0 HG3 ARG A 121 10.198 3.844 0.515 1.00 0.00 H new ATOM 0 HD2 ARG A 121 11.344 5.696 1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 121 11.761 4.318 2.479 1.00 0.00 H new ATOM 0 HE ARG A 121 13.981 4.623 1.903 1.00 0.00 H new ATOM 0 HH11 ARG A 121 11.907 6.065 -0.564 1.00 0.00 H new ATOM 0 HH12 ARG A 121 13.263 6.738 -1.475 1.00 0.00 H new ATOM 0 HH21 ARG A 121 15.718 5.491 0.727 1.00 0.00 H new ATOM 0 HH22 ARG A 121 15.411 6.414 -0.748 1.00 0.00 H new ATOM 1901 N TYR A 122 11.280 -0.634 0.716 1.00 0.00 N ATOM 1902 CA TYR A 122 11.678 -1.987 1.084 1.00 0.00 C ATOM 1903 C TYR A 122 11.997 -2.817 -0.156 1.00 0.00 C ATOM 1904 O TYR A 122 12.909 -3.644 -0.147 1.00 0.00 O ATOM 1905 CB TYR A 122 10.572 -2.665 1.895 1.00 0.00 C ATOM 1906 CG TYR A 122 10.609 -4.175 1.826 1.00 0.00 C ATOM 1907 CD1 TYR A 122 9.925 -4.861 0.830 1.00 0.00 C ATOM 1908 CD2 TYR A 122 11.328 -4.915 2.757 1.00 0.00 C ATOM 1909 CE1 TYR A 122 9.955 -6.241 0.764 1.00 0.00 C ATOM 1910 CE2 TYR A 122 11.365 -6.295 2.697 1.00 0.00 C ATOM 1911 CZ TYR A 122 10.677 -6.953 1.699 1.00 0.00 C ATOM 1912 OH TYR A 122 10.710 -8.327 1.637 1.00 0.00 O ATOM 0 H TYR A 122 10.486 -0.270 1.243 1.00 0.00 H new ATOM 0 HA TYR A 122 12.578 -1.920 1.696 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.655 -2.355 2.937 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.604 -2.317 1.535 1.00 0.00 H new ATOM 0 HD1 TYR A 122 9.360 -4.306 0.095 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.867 -4.403 3.540 1.00 0.00 H new ATOM 0 HE1 TYR A 122 9.416 -6.759 -0.015 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.930 -6.855 3.428 1.00 0.00 H new ATOM 0 HH TYR A 122 11.263 -8.674 2.367 1.00 0.00 H new ATOM 1922 N LYS A 123 11.238 -2.591 -1.222 1.00 0.00 N ATOM 1923 CA LYS A 123 11.438 -3.314 -2.472 1.00 0.00 C ATOM 1924 C LYS A 123 12.509 -2.642 -3.325 1.00 0.00 C ATOM 1925 O LYS A 123 13.446 -3.294 -3.786 1.00 0.00 O ATOM 1926 CB LYS A 123 10.125 -3.394 -3.255 1.00 0.00 C ATOM 1927 CG LYS A 123 10.273 -4.028 -4.628 1.00 0.00 C ATOM 1928 CD LYS A 123 10.239 -5.545 -4.549 1.00 0.00 C ATOM 1929 CE LYS A 123 9.669 -6.156 -5.820 1.00 0.00 C ATOM 1930 NZ LYS A 123 10.231 -7.510 -6.083 1.00 0.00 N ATOM 0 H LYS A 123 10.477 -1.912 -1.245 1.00 0.00 H new ATOM 0 HA LYS A 123 11.772 -4.323 -2.229 1.00 0.00 H new ATOM 0 HB2 LYS A 123 9.401 -3.967 -2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 123 9.718 -2.389 -3.370 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.472 -3.679 -5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 123 11.212 -3.707 -5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 123 11.247 -5.924 -4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.637 -5.853 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.584 -6.223 -5.736 1.00 0.00 H new ATOM 0 HE3 LYS A 123 9.884 -5.503 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 9.818 -7.893 -6.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.264 -7.443 -6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 10.004 -8.141 -5.288 1.00 0.00 H new ATOM 1944 N GLN A 124 12.365 -1.337 -3.527 1.00 0.00 N ATOM 1945 CA GLN A 124 13.322 -0.577 -4.323 1.00 0.00 C ATOM 1946 C GLN A 124 14.735 -1.123 -4.142 1.00 0.00 C ATOM 1947 O GLN A 124 15.443 -1.374 -5.117 1.00 0.00 O ATOM 1948 CB GLN A 124 13.280 0.902 -3.936 1.00 0.00 C ATOM 1949 CG GLN A 124 12.142 1.669 -4.590 1.00 0.00 C ATOM 1950 CD GLN A 124 12.392 1.945 -6.059 1.00 0.00 C ATOM 1951 OE1 GLN A 124 13.466 1.651 -6.584 1.00 0.00 O ATOM 1952 NE2 GLN A 124 11.397 2.511 -6.733 1.00 0.00 N ATOM 0 H GLN A 124 11.595 -0.783 -3.151 1.00 0.00 H new ATOM 0 HA GLN A 124 13.045 -0.678 -5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 124 13.187 0.983 -2.853 1.00 0.00 H new ATOM 0 HB3 GLN A 124 14.226 1.368 -4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 124 11.218 1.101 -4.483 1.00 0.00 H new ATOM 0 HG3 GLN A 124 11.998 2.614 -4.066 1.00 0.00 H new ATOM 0 HE21 GLN A 124 10.523 2.738 -6.258 1.00 0.00 H new ATOM 0 HE22 GLN A 124 11.507 2.719 -7.726 1.00 0.00 H new