USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 812 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 87 THR OG1 : rot 140:sc= 0 USER MOD Set 1.2: A 101 SER OG : rot 79:sc= -0.0452 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= -0.0013 (180deg=-0.0013) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.247 X(o=-0.25,f=0.12) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN :FLIP amide:sc= -0.0102 F(o=-0.7,f=-0.01) USER MOD Single : A 41 LYS NZ :NH3+ 171:sc= -0.317 (180deg=-0.457) USER MOD Single : A 50 CYS SG : rot 73:sc= 0.64 USER MOD Single : A 53 TYR OH : rot 150:sc= -0.195 USER MOD Single : A 54 TYR OH : rot 150:sc= -1.24 USER MOD Single : A 55 LYS NZ :NH3+ -164:sc=-0.000599 (180deg=-0.124) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 29:sc= 0.128 USER MOD Single : A 65 SER OG : rot -112:sc= 1.19 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc= -1.64 K(o=-1.6,f=-2.8!) USER MOD Single : A 89 LYS NZ :NH3+ 164:sc= 0.14 (180deg=0.0985) USER MOD Single : A 92 HIS : no HD1:sc= -5.38! C(o=-5.4!,f=-6.7!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0898 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.0419 USER MOD Single : A 104 SER OG : rot -144:sc= -0.459 USER MOD Single : A 108 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.9!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl 177:sc= -0.627 (180deg=-0.725) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -12.001 3.836 -6.500 1.00 0.00 N ATOM 177 CA LYS A 15 -12.525 2.563 -6.020 1.00 0.00 C ATOM 178 C LYS A 15 -12.147 1.427 -6.966 1.00 0.00 C ATOM 179 O LYS A 15 -12.058 1.621 -8.178 1.00 0.00 O ATOM 180 CB LYS A 15 -14.047 2.636 -5.875 1.00 0.00 C ATOM 181 CG LYS A 15 -14.605 1.682 -4.833 1.00 0.00 C ATOM 182 CD LYS A 15 -16.124 1.709 -4.810 1.00 0.00 C ATOM 183 CE LYS A 15 -16.713 0.916 -5.967 1.00 0.00 C ATOM 184 NZ LYS A 15 -18.195 0.806 -5.867 1.00 0.00 N ATOM 0 HA LYS A 15 -12.083 2.362 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.330 3.655 -5.611 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.506 2.417 -6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.261 0.669 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.220 1.951 -3.849 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.482 1.298 -3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.471 2.741 -4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.447 1.396 -6.909 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.275 -0.082 -5.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.558 0.259 -6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.448 0.325 -4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.615 1.757 -5.877 1.00 0.00 H new ATOM 198 N ARG A 16 -11.929 0.243 -6.403 1.00 0.00 N ATOM 199 CA ARG A 16 -11.562 -0.924 -7.197 1.00 0.00 C ATOM 200 C ARG A 16 -12.713 -1.349 -8.103 1.00 0.00 C ATOM 201 O ARG A 16 -13.723 -1.873 -7.635 1.00 0.00 O ATOM 202 CB ARG A 16 -11.162 -2.084 -6.284 1.00 0.00 C ATOM 203 CG ARG A 16 -10.860 -3.372 -7.031 1.00 0.00 C ATOM 204 CD ARG A 16 -10.260 -4.423 -6.111 1.00 0.00 C ATOM 205 NE ARG A 16 -10.319 -5.760 -6.695 1.00 0.00 N ATOM 206 CZ ARG A 16 -10.108 -6.874 -6.003 1.00 0.00 C ATOM 207 NH1 ARG A 16 -9.827 -6.812 -4.709 1.00 0.00 N ATOM 208 NH2 ARG A 16 -10.179 -8.054 -6.606 1.00 0.00 N ATOM 0 H ARG A 16 -12.000 0.066 -5.401 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.711 -0.653 -7.822 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.284 -1.795 -5.707 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.966 -2.268 -5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.776 -3.758 -7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.169 -3.166 -7.849 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.223 -4.167 -5.896 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.793 -4.419 -5.160 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.534 -5.843 -7.689 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.772 -5.907 -4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.666 -7.669 -4.181 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.396 -8.106 -7.601 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.017 -8.909 -6.074 1.00 0.00 H new ATOM 222 N ASN A 17 -12.553 -1.119 -9.403 1.00 0.00 N ATOM 223 CA ASN A 17 -13.580 -1.478 -10.374 1.00 0.00 C ATOM 224 C ASN A 17 -14.028 -2.923 -10.184 1.00 0.00 C ATOM 225 O ASN A 17 -13.239 -3.804 -9.840 1.00 0.00 O ATOM 226 CB ASN A 17 -13.056 -1.278 -11.798 1.00 0.00 C ATOM 227 CG ASN A 17 -13.334 0.117 -12.325 1.00 0.00 C ATOM 228 OD1 ASN A 17 -14.308 0.339 -13.044 1.00 0.00 O ATOM 229 ND2 ASN A 17 -12.474 1.065 -11.970 1.00 0.00 N ATOM 0 H ASN A 17 -11.723 -0.686 -9.807 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.439 -0.827 -10.214 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.982 -1.463 -11.817 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -13.518 -2.012 -12.459 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.607 2.022 -12.295 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.680 0.835 -11.372 1.00 0.00 H new ATOM 236 N PRO A 18 -15.326 -3.176 -10.413 1.00 0.00 N ATOM 237 CA PRO A 18 -15.908 -4.514 -10.274 1.00 0.00 C ATOM 238 C PRO A 18 -15.430 -5.470 -11.361 1.00 0.00 C ATOM 239 O PRO A 18 -15.420 -6.686 -11.171 1.00 0.00 O ATOM 240 CB PRO A 18 -17.412 -4.261 -10.408 1.00 0.00 C ATOM 241 CG PRO A 18 -17.516 -3.007 -11.206 1.00 0.00 C ATOM 242 CD PRO A 18 -16.323 -2.175 -10.825 1.00 0.00 C ATOM 0 HA PRO A 18 -15.623 -4.987 -9.334 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -17.910 -5.091 -10.909 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.883 -4.149 -9.431 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.516 -3.223 -12.274 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -18.445 -2.481 -10.987 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.967 -1.575 -11.663 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.557 -1.484 -10.015 1.00 0.00 H new ATOM 250 N ASN A 19 -15.033 -4.913 -12.500 1.00 0.00 N ATOM 251 CA ASN A 19 -14.552 -5.717 -13.618 1.00 0.00 C ATOM 252 C ASN A 19 -13.063 -5.484 -13.856 1.00 0.00 C ATOM 253 O ASN A 19 -12.606 -5.443 -14.997 1.00 0.00 O ATOM 254 CB ASN A 19 -15.341 -5.387 -14.887 1.00 0.00 C ATOM 255 CG ASN A 19 -16.575 -6.254 -15.044 1.00 0.00 C ATOM 256 OD1 ASN A 19 -16.602 -7.171 -15.865 1.00 0.00 O ATOM 257 ND2 ASN A 19 -17.603 -5.967 -14.255 1.00 0.00 N ATOM 0 H ASN A 19 -15.035 -3.908 -12.674 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.701 -6.767 -13.368 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -15.638 -4.338 -14.864 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -14.696 -5.517 -15.756 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -18.461 -6.516 -14.315 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -17.535 -5.197 -13.589 1.00 0.00 H new ATOM 264 N ALA A 20 -12.313 -5.334 -12.769 1.00 0.00 N ATOM 265 CA ALA A 20 -10.876 -5.108 -12.859 1.00 0.00 C ATOM 266 C ALA A 20 -10.097 -6.308 -12.330 1.00 0.00 C ATOM 267 O ALA A 20 -10.304 -6.766 -11.207 1.00 0.00 O ATOM 268 CB ALA A 20 -10.491 -3.849 -12.096 1.00 0.00 C ATOM 0 H ALA A 20 -12.677 -5.365 -11.817 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.619 -4.976 -13.910 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.415 -3.692 -12.172 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.013 -2.992 -12.521 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.769 -3.960 -11.048 1.00 0.00 H new ATOM 274 N PRO A 21 -9.180 -6.830 -13.158 1.00 0.00 N ATOM 275 CA PRO A 21 -8.353 -7.985 -12.795 1.00 0.00 C ATOM 276 C PRO A 21 -7.329 -7.648 -11.716 1.00 0.00 C ATOM 277 O PRO A 21 -6.614 -6.651 -11.814 1.00 0.00 O ATOM 278 CB PRO A 21 -7.649 -8.343 -14.106 1.00 0.00 C ATOM 279 CG PRO A 21 -7.623 -7.071 -14.882 1.00 0.00 C ATOM 280 CD PRO A 21 -8.880 -6.335 -14.512 1.00 0.00 C ATOM 0 HA PRO A 21 -8.948 -8.798 -12.379 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.641 -8.717 -13.925 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -8.187 -9.124 -14.644 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.739 -6.482 -14.636 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.587 -7.268 -15.953 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.731 -5.255 -14.521 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.691 -6.551 -15.207 1.00 0.00 H new ATOM 288 N VAL A 22 -7.265 -8.485 -10.685 1.00 0.00 N ATOM 289 CA VAL A 22 -6.328 -8.276 -9.588 1.00 0.00 C ATOM 290 C VAL A 22 -4.886 -8.416 -10.063 1.00 0.00 C ATOM 291 O VAL A 22 -4.468 -9.484 -10.511 1.00 0.00 O ATOM 292 CB VAL A 22 -6.577 -9.272 -8.440 1.00 0.00 C ATOM 293 CG1 VAL A 22 -6.454 -10.704 -8.939 1.00 0.00 C ATOM 294 CG2 VAL A 22 -5.612 -9.014 -7.292 1.00 0.00 C ATOM 0 H VAL A 22 -7.851 -9.314 -10.587 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.490 -7.262 -9.222 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.592 -9.127 -8.071 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.633 -11.393 -8.114 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.189 -10.880 -9.725 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.452 -10.866 -9.336 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.802 -9.727 -6.490 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.587 -9.130 -7.645 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.754 -8.000 -6.918 1.00 0.00 H new ATOM 304 N THR A 23 -4.128 -7.328 -9.962 1.00 0.00 N ATOM 305 CA THR A 23 -2.732 -7.328 -10.382 1.00 0.00 C ATOM 306 C THR A 23 -1.887 -8.222 -9.481 1.00 0.00 C ATOM 307 O THR A 23 -1.283 -9.191 -9.941 1.00 0.00 O ATOM 308 CB THR A 23 -2.142 -5.905 -10.372 1.00 0.00 C ATOM 309 OG1 THR A 23 -3.018 -5.007 -11.063 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.769 -5.884 -11.025 1.00 0.00 C ATOM 0 H THR A 23 -4.458 -6.436 -9.593 1.00 0.00 H new ATOM 0 HA THR A 23 -2.708 -7.716 -11.400 1.00 0.00 H new ATOM 0 HB THR A 23 -2.039 -5.586 -9.335 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.637 -4.104 -11.051 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.373 -4.869 -11.006 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.097 -6.546 -10.480 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.852 -6.222 -12.058 1.00 0.00 H new ATOM 318 N LYS A 24 -1.849 -7.892 -8.195 1.00 0.00 N ATOM 319 CA LYS A 24 -1.080 -8.665 -7.228 1.00 0.00 C ATOM 320 C LYS A 24 -1.676 -8.537 -5.830 1.00 0.00 C ATOM 321 O LYS A 24 -2.080 -7.451 -5.415 1.00 0.00 O ATOM 322 CB LYS A 24 0.378 -8.201 -7.216 1.00 0.00 C ATOM 323 CG LYS A 24 1.301 -9.113 -6.426 1.00 0.00 C ATOM 324 CD LYS A 24 2.659 -8.470 -6.198 1.00 0.00 C ATOM 325 CE LYS A 24 3.527 -9.313 -5.276 1.00 0.00 C ATOM 326 NZ LYS A 24 4.173 -10.442 -6.000 1.00 0.00 N ATOM 0 H LYS A 24 -2.343 -7.093 -7.798 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.119 -9.713 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.738 -8.135 -8.243 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.427 -7.196 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 24 0.844 -9.351 -5.465 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.428 -10.055 -6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.165 -8.337 -7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.525 -7.478 -5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.295 -8.684 -4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.917 -9.705 -4.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.755 -10.992 -5.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.440 -11.057 -6.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.775 -10.067 -6.761 1.00 0.00 H new ATOM 340 N ALA A 25 -1.727 -9.652 -5.108 1.00 0.00 N ATOM 341 CA ALA A 25 -2.271 -9.662 -3.756 1.00 0.00 C ATOM 342 C ALA A 25 -1.346 -10.406 -2.798 1.00 0.00 C ATOM 343 O ALA A 25 -0.723 -11.400 -3.168 1.00 0.00 O ATOM 344 CB ALA A 25 -3.657 -10.291 -3.749 1.00 0.00 C ATOM 0 H ALA A 25 -1.398 -10.560 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.351 -8.630 -3.415 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.051 -10.292 -2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.321 -9.716 -4.395 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.593 -11.316 -4.114 1.00 0.00 H new ATOM 350 N GLY A 26 -1.262 -9.916 -1.565 1.00 0.00 N ATOM 351 CA GLY A 26 -0.410 -10.547 -0.573 1.00 0.00 C ATOM 352 C GLY A 26 -0.465 -9.845 0.769 1.00 0.00 C ATOM 353 O GLY A 26 -0.611 -8.624 0.833 1.00 0.00 O ATOM 0 H GLY A 26 -1.768 -9.094 -1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.712 -11.587 -0.448 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.619 -10.554 -0.934 1.00 0.00 H new ATOM 357 N TRP A 27 -0.349 -10.617 1.843 1.00 0.00 N ATOM 358 CA TRP A 27 -0.388 -10.062 3.191 1.00 0.00 C ATOM 359 C TRP A 27 0.875 -9.262 3.488 1.00 0.00 C ATOM 360 O TRP A 27 1.981 -9.806 3.489 1.00 0.00 O ATOM 361 CB TRP A 27 -0.552 -11.180 4.222 1.00 0.00 C ATOM 362 CG TRP A 27 -1.954 -11.702 4.315 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.473 -12.779 3.655 1.00 0.00 C ATOM 364 CD2 TRP A 27 -3.016 -11.167 5.112 1.00 0.00 C ATOM 365 NE1 TRP A 27 -3.794 -12.946 3.994 1.00 0.00 N ATOM 366 CE2 TRP A 27 -4.151 -11.971 4.887 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.119 -10.090 5.996 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.371 -11.728 5.513 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.330 -9.850 6.616 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.442 -10.666 6.374 1.00 0.00 C ATOM 0 H TRP A 27 -0.227 -11.629 1.807 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.244 -9.391 3.255 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.118 -12.001 3.966 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.244 -10.810 5.200 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.926 -13.407 2.968 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.409 -13.678 3.638 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.267 -9.456 6.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -6.230 -12.355 5.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.421 -9.019 7.299 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.374 -10.453 6.877 1.00 0.00 H new ATOM 381 N LEU A 28 0.706 -7.968 3.739 1.00 0.00 N ATOM 382 CA LEU A 28 1.835 -7.093 4.037 1.00 0.00 C ATOM 383 C LEU A 28 1.639 -6.390 5.376 1.00 0.00 C ATOM 384 O LEU A 28 0.553 -6.425 5.955 1.00 0.00 O ATOM 385 CB LEU A 28 2.010 -6.057 2.925 1.00 0.00 C ATOM 386 CG LEU A 28 2.785 -6.522 1.691 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.620 -5.527 0.552 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.257 -6.713 2.026 1.00 0.00 C ATOM 0 H LEU A 28 -0.201 -7.502 3.742 1.00 0.00 H new ATOM 0 HA LEU A 28 2.734 -7.707 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.022 -5.726 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.518 -5.188 3.342 1.00 0.00 H new ATOM 0 HG LEU A 28 2.379 -7.481 1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.178 -5.874 -0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.564 -5.440 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.999 -4.553 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.793 -7.044 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.677 -5.769 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.357 -7.464 2.810 1.00 0.00 H new ATOM 400 N PHE A 29 2.698 -5.750 5.863 1.00 0.00 N ATOM 401 CA PHE A 29 2.642 -5.037 7.134 1.00 0.00 C ATOM 402 C PHE A 29 2.683 -3.528 6.913 1.00 0.00 C ATOM 403 O PHE A 29 3.684 -2.984 6.445 1.00 0.00 O ATOM 404 CB PHE A 29 3.804 -5.464 8.033 1.00 0.00 C ATOM 405 CG PHE A 29 3.668 -6.862 8.565 1.00 0.00 C ATOM 406 CD1 PHE A 29 3.731 -7.951 7.711 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.477 -7.087 9.919 1.00 0.00 C ATOM 408 CE1 PHE A 29 3.607 -9.239 8.197 1.00 0.00 C ATOM 409 CE2 PHE A 29 3.352 -8.372 10.411 1.00 0.00 C ATOM 410 CZ PHE A 29 3.416 -9.450 9.549 1.00 0.00 C ATOM 0 H PHE A 29 3.604 -5.711 5.397 1.00 0.00 H new ATOM 0 HA PHE A 29 1.701 -5.289 7.623 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.735 -5.387 7.471 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.879 -4.771 8.871 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.879 -7.792 6.653 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.425 -6.248 10.597 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.659 -10.079 7.521 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.204 -8.534 11.469 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.317 -10.455 9.931 1.00 0.00 H new ATOM 420 N LYS A 30 1.588 -2.856 7.252 1.00 0.00 N ATOM 421 CA LYS A 30 1.497 -1.410 7.092 1.00 0.00 C ATOM 422 C LYS A 30 1.885 -0.694 8.383 1.00 0.00 C ATOM 423 O LYS A 30 1.248 -0.879 9.420 1.00 0.00 O ATOM 424 CB LYS A 30 0.078 -1.010 6.682 1.00 0.00 C ATOM 425 CG LYS A 30 -0.052 0.451 6.286 1.00 0.00 C ATOM 426 CD LYS A 30 -1.335 0.707 5.514 1.00 0.00 C ATOM 427 CE LYS A 30 -1.359 2.108 4.921 1.00 0.00 C ATOM 428 NZ LYS A 30 -1.605 3.145 5.960 1.00 0.00 N ATOM 0 H LYS A 30 0.751 -3.290 7.640 1.00 0.00 H new ATOM 0 HA LYS A 30 2.193 -1.112 6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.239 -1.634 5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.602 -1.215 7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -0.034 1.074 7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.804 0.742 5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.434 -0.029 4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -2.191 0.576 6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.409 2.309 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.136 2.166 4.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.614 4.086 5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.523 2.968 6.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.850 3.107 6.674 1.00 0.00 H new ATOM 442 N GLN A 31 2.931 0.122 8.310 1.00 0.00 N ATOM 443 CA GLN A 31 3.402 0.865 9.473 1.00 0.00 C ATOM 444 C GLN A 31 2.302 1.767 10.024 1.00 0.00 C ATOM 445 O GLN A 31 1.468 2.274 9.275 1.00 0.00 O ATOM 446 CB GLN A 31 4.629 1.702 9.107 1.00 0.00 C ATOM 447 CG GLN A 31 5.588 1.914 10.266 1.00 0.00 C ATOM 448 CD GLN A 31 6.339 3.227 10.170 1.00 0.00 C ATOM 449 OE1 GLN A 31 5.762 4.300 10.350 1.00 0.00 O ATOM 450 NE2 GLN A 31 7.634 3.150 9.885 1.00 0.00 N ATOM 0 H GLN A 31 3.468 0.286 7.459 1.00 0.00 H new ATOM 0 HA GLN A 31 3.678 0.147 10.245 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.161 1.214 8.291 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.299 2.673 8.737 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.031 1.886 11.203 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.303 1.092 10.296 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.072 2.240 9.744 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.191 4.001 9.808 1.00 0.00 H new ATOM 459 N ALA A 32 2.307 1.961 11.339 1.00 0.00 N ATOM 460 CA ALA A 32 1.311 2.802 11.991 1.00 0.00 C ATOM 461 C ALA A 32 1.643 4.281 11.816 1.00 0.00 C ATOM 462 O ALA A 32 2.749 4.635 11.408 1.00 0.00 O ATOM 463 CB ALA A 32 1.210 2.453 13.468 1.00 0.00 C ATOM 0 H ALA A 32 2.990 1.547 11.973 1.00 0.00 H new ATOM 0 HA ALA A 32 0.347 2.614 11.518 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.462 3.089 13.942 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.919 1.408 13.576 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.177 2.611 13.946 1.00 0.00 H new ATOM 536 N GLN A 38 4.268 1.037 15.769 1.00 0.00 N ATOM 537 CA GLN A 38 4.011 -0.392 15.628 1.00 0.00 C ATOM 538 C GLN A 38 3.572 -0.729 14.207 1.00 0.00 C ATOM 539 O GLN A 38 3.336 0.163 13.392 1.00 0.00 O ATOM 540 CB GLN A 38 2.941 -0.839 16.625 1.00 0.00 C ATOM 541 CG GLN A 38 1.543 -0.352 16.277 1.00 0.00 C ATOM 542 CD GLN A 38 0.475 -0.966 17.160 1.00 0.00 C ATOM 543 OE1 GLN A 38 -0.039 -0.319 18.073 1.00 0.00 O ATOM 544 NE2 GLN A 38 0.133 -2.220 16.891 1.00 0.00 N ATOM 0 HA GLN A 38 4.938 -0.925 15.837 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.935 -1.928 16.675 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.207 -0.475 17.618 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.507 0.733 16.371 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.328 -0.590 15.235 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.585 -2.719 16.125 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.582 -2.685 17.451 1.00 0.00 H new ATOM 553 N TRP A 39 3.464 -2.020 13.918 1.00 0.00 N ATOM 554 CA TRP A 39 3.053 -2.475 12.594 1.00 0.00 C ATOM 555 C TRP A 39 1.691 -3.158 12.652 1.00 0.00 C ATOM 556 O TRP A 39 1.356 -3.813 13.638 1.00 0.00 O ATOM 557 CB TRP A 39 4.095 -3.435 12.016 1.00 0.00 C ATOM 558 CG TRP A 39 5.378 -2.760 11.636 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.456 -2.534 12.444 1.00 0.00 C ATOM 560 CD2 TRP A 39 5.716 -2.222 10.353 1.00 0.00 C ATOM 561 NE1 TRP A 39 7.443 -1.888 11.740 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.014 -1.686 10.455 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.049 -2.143 9.127 1.00 0.00 C ATOM 564 CZ2 TRP A 39 7.656 -1.079 9.378 1.00 0.00 C ATOM 565 CZ3 TRP A 39 5.686 -1.540 8.060 1.00 0.00 C ATOM 566 CH2 TRP A 39 6.979 -1.016 8.190 1.00 0.00 C ATOM 0 H TRP A 39 3.655 -2.771 14.582 1.00 0.00 H new ATOM 0 HA TRP A 39 2.974 -1.603 11.945 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.306 -4.215 12.748 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.678 -3.927 11.138 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.523 -2.821 13.483 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.349 -1.605 12.114 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.053 -2.546 9.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.652 -0.673 9.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 5.179 -1.471 7.109 1.00 0.00 H new ATOM 0 HH2 TRP A 39 7.451 -0.553 7.336 1.00 0.00 H new ATOM 577 N ASN A 40 0.910 -3.000 11.588 1.00 0.00 N ATOM 578 CA ASN A 40 -0.417 -3.602 11.519 1.00 0.00 C ATOM 579 C ASN A 40 -0.563 -4.453 10.261 1.00 0.00 C ATOM 580 O ASN A 40 -0.733 -3.929 9.160 1.00 0.00 O ATOM 581 CB ASN A 40 -1.494 -2.516 11.542 1.00 0.00 C ATOM 582 CG ASN A 40 -1.563 -1.797 12.875 1.00 0.00 C ATOM 583 OD1 ASN A 40 -0.529 -1.023 13.184 1.00 0.00 O flip ATOM 584 ND2 ASN A 40 -2.534 -1.937 13.619 1.00 0.00 N flip ATOM 0 H ASN A 40 1.173 -2.461 10.763 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.542 -4.247 12.389 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.293 -1.792 10.752 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.463 -2.965 11.324 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -3.307 -2.542 13.341 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.566 -1.448 14.513 1.00 0.00 H new ATOM 591 N LYS A 41 -0.497 -5.769 10.432 1.00 0.00 N ATOM 592 CA LYS A 41 -0.623 -6.694 9.313 1.00 0.00 C ATOM 593 C LYS A 41 -2.015 -6.612 8.694 1.00 0.00 C ATOM 594 O LYS A 41 -3.022 -6.757 9.387 1.00 0.00 O ATOM 595 CB LYS A 41 -0.342 -8.126 9.773 1.00 0.00 C ATOM 596 CG LYS A 41 -0.148 -9.106 8.629 1.00 0.00 C ATOM 597 CD LYS A 41 -0.409 -10.536 9.070 1.00 0.00 C ATOM 598 CE LYS A 41 -0.313 -11.506 7.902 1.00 0.00 C ATOM 599 NZ LYS A 41 1.040 -11.493 7.281 1.00 0.00 N ATOM 0 H LYS A 41 -0.357 -6.219 11.337 1.00 0.00 H new ATOM 0 HA LYS A 41 0.110 -6.412 8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.551 -8.129 10.398 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.169 -8.467 10.396 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.820 -8.848 7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.869 -9.022 8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.311 -10.818 9.839 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.399 -10.604 9.520 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.545 -12.514 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.060 -11.246 7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.114 -12.269 6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.191 -10.585 6.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.762 -11.615 8.019 1.00 0.00 H new ATOM 613 N ARG A 42 -2.064 -6.381 7.386 1.00 0.00 N ATOM 614 CA ARG A 42 -3.332 -6.280 6.675 1.00 0.00 C ATOM 615 C ARG A 42 -3.227 -6.904 5.286 1.00 0.00 C ATOM 616 O ARG A 42 -2.134 -7.218 4.817 1.00 0.00 O ATOM 617 CB ARG A 42 -3.760 -4.816 6.557 1.00 0.00 C ATOM 618 CG ARG A 42 -4.122 -4.179 7.888 1.00 0.00 C ATOM 619 CD ARG A 42 -5.600 -4.351 8.205 1.00 0.00 C ATOM 620 NE ARG A 42 -5.860 -4.305 9.641 1.00 0.00 N ATOM 621 CZ ARG A 42 -5.995 -3.175 10.328 1.00 0.00 C ATOM 622 NH1 ARG A 42 -5.895 -2.005 9.712 1.00 0.00 N ATOM 623 NH2 ARG A 42 -6.232 -3.215 11.633 1.00 0.00 N ATOM 0 H ARG A 42 -1.240 -6.260 6.797 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.084 -6.826 7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.952 -4.246 6.099 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.617 -4.750 5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.524 -4.627 8.682 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.875 -3.118 7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.171 -3.567 7.708 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.949 -5.303 7.804 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.943 -5.188 10.145 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.714 -1.971 8.709 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.999 -1.139 10.241 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -6.311 -4.113 12.110 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.335 -2.347 12.159 1.00 0.00 H new ATOM 637 N TRP A 43 -4.371 -7.080 4.635 1.00 0.00 N ATOM 638 CA TRP A 43 -4.408 -7.667 3.300 1.00 0.00 C ATOM 639 C TRP A 43 -4.259 -6.592 2.229 1.00 0.00 C ATOM 640 O TRP A 43 -5.095 -5.696 2.114 1.00 0.00 O ATOM 641 CB TRP A 43 -5.716 -8.432 3.093 1.00 0.00 C ATOM 642 CG TRP A 43 -5.779 -9.158 1.783 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.739 -9.031 0.821 1.00 0.00 C ATOM 644 CD2 TRP A 43 -4.843 -10.125 1.294 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.457 -9.860 -0.238 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.299 -10.542 0.028 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.664 -10.678 1.801 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -4.616 -11.486 -0.735 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -2.988 -11.615 1.043 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.465 -12.011 -0.214 1.00 0.00 C ATOM 0 H TRP A 43 -5.285 -6.825 5.009 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.572 -8.361 3.212 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.841 -9.149 3.904 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.551 -7.733 3.154 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.595 -8.375 0.883 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.019 -9.953 -1.084 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.288 -10.378 2.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.982 -11.793 -1.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.076 -12.050 1.426 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.913 -12.745 -0.782 1.00 0.00 H new ATOM 661 N PHE A 44 -3.189 -6.688 1.446 1.00 0.00 N ATOM 662 CA PHE A 44 -2.930 -5.722 0.384 1.00 0.00 C ATOM 663 C PHE A 44 -3.338 -6.286 -0.974 1.00 0.00 C ATOM 664 O PHE A 44 -3.115 -7.462 -1.264 1.00 0.00 O ATOM 665 CB PHE A 44 -1.450 -5.337 0.365 1.00 0.00 C ATOM 666 CG PHE A 44 -1.125 -4.162 1.242 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.529 -4.136 2.567 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.415 -3.082 0.741 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.232 -3.055 3.375 1.00 0.00 C ATOM 670 CE2 PHE A 44 -0.115 -1.999 1.544 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.523 -1.986 2.864 1.00 0.00 C ATOM 0 H PHE A 44 -2.488 -7.424 1.527 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.527 -4.832 0.583 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.856 -6.193 0.684 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.155 -5.108 -0.659 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.082 -4.970 2.973 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.093 -3.087 -0.290 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.554 -3.046 4.406 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.438 -1.163 1.141 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.288 -1.141 3.495 1.00 0.00 H new ATOM 681 N VAL A 45 -3.937 -5.438 -1.805 1.00 0.00 N ATOM 682 CA VAL A 45 -4.376 -5.850 -3.133 1.00 0.00 C ATOM 683 C VAL A 45 -4.129 -4.750 -4.159 1.00 0.00 C ATOM 684 O VAL A 45 -4.514 -3.598 -3.955 1.00 0.00 O ATOM 685 CB VAL A 45 -5.872 -6.217 -3.141 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.311 -6.638 -4.535 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.155 -7.317 -2.129 1.00 0.00 C ATOM 0 H VAL A 45 -4.129 -4.462 -1.582 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.792 -6.731 -3.400 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.447 -5.336 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.371 -6.894 -4.521 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.145 -5.817 -5.232 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.733 -7.506 -4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.216 -7.564 -2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.572 -8.203 -2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.880 -6.974 -1.132 1.00 0.00 H new ATOM 697 N LEU A 46 -3.484 -5.113 -5.262 1.00 0.00 N ATOM 698 CA LEU A 46 -3.185 -4.157 -6.323 1.00 0.00 C ATOM 699 C LEU A 46 -4.129 -4.343 -7.506 1.00 0.00 C ATOM 700 O LEU A 46 -4.092 -5.367 -8.189 1.00 0.00 O ATOM 701 CB LEU A 46 -1.735 -4.313 -6.783 1.00 0.00 C ATOM 702 CG LEU A 46 -1.218 -3.244 -7.747 1.00 0.00 C ATOM 703 CD1 LEU A 46 -0.958 -1.940 -7.008 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.045 -3.723 -8.447 1.00 0.00 C ATOM 0 H LEU A 46 -3.158 -6.062 -5.445 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.327 -3.153 -5.924 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.094 -4.319 -5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.629 -5.287 -7.261 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.982 -3.064 -8.503 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.591 -1.191 -7.710 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.884 -1.588 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.212 -2.105 -6.230 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.399 -2.950 -9.129 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.815 -3.932 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.173 -4.631 -9.010 1.00 0.00 H new ATOM 716 N VAL A 47 -4.974 -3.345 -7.745 1.00 0.00 N ATOM 717 CA VAL A 47 -5.926 -3.397 -8.848 1.00 0.00 C ATOM 718 C VAL A 47 -6.062 -2.036 -9.522 1.00 0.00 C ATOM 719 O VAL A 47 -6.118 -1.004 -8.853 1.00 0.00 O ATOM 720 CB VAL A 47 -7.315 -3.862 -8.370 1.00 0.00 C ATOM 721 CG1 VAL A 47 -8.370 -3.565 -9.425 1.00 0.00 C ATOM 722 CG2 VAL A 47 -7.292 -5.344 -8.029 1.00 0.00 C ATOM 0 H VAL A 47 -5.019 -2.491 -7.189 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.537 -4.118 -9.567 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.573 -3.309 -7.467 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.344 -3.900 -9.070 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.403 -2.492 -9.615 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.120 -4.089 -10.347 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.281 -5.655 -7.693 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.012 -5.917 -8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.566 -5.524 -7.236 1.00 0.00 H new ATOM 732 N ASP A 48 -6.115 -2.042 -10.849 1.00 0.00 N ATOM 733 CA ASP A 48 -6.246 -0.808 -11.615 1.00 0.00 C ATOM 734 C ASP A 48 -5.095 0.146 -11.308 1.00 0.00 C ATOM 735 O ASP A 48 -5.315 1.301 -10.941 1.00 0.00 O ATOM 736 CB ASP A 48 -7.582 -0.131 -11.307 1.00 0.00 C ATOM 737 CG ASP A 48 -8.078 0.722 -12.458 1.00 0.00 C ATOM 738 OD1 ASP A 48 -8.472 0.147 -13.494 1.00 0.00 O ATOM 739 OD2 ASP A 48 -8.072 1.963 -12.324 1.00 0.00 O ATOM 0 H ASP A 48 -6.069 -2.888 -11.417 1.00 0.00 H new ATOM 0 HA ASP A 48 -6.212 -1.061 -12.675 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.327 -0.892 -11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.475 0.490 -10.418 1.00 0.00 H new ATOM 744 N ARG A 49 -3.870 -0.344 -11.461 1.00 0.00 N ATOM 745 CA ARG A 49 -2.685 0.464 -11.198 1.00 0.00 C ATOM 746 C ARG A 49 -2.827 1.226 -9.884 1.00 0.00 C ATOM 747 O ARG A 49 -2.262 2.307 -9.718 1.00 0.00 O ATOM 748 CB ARG A 49 -2.447 1.447 -12.346 1.00 0.00 C ATOM 749 CG ARG A 49 -1.002 1.900 -12.470 1.00 0.00 C ATOM 750 CD ARG A 49 -0.645 2.238 -13.909 1.00 0.00 C ATOM 751 NE ARG A 49 -0.719 1.069 -14.780 1.00 0.00 N ATOM 752 CZ ARG A 49 -0.180 1.021 -15.993 1.00 0.00 C ATOM 753 NH1 ARG A 49 0.470 2.071 -16.476 1.00 0.00 N ATOM 754 NH2 ARG A 49 -0.289 -0.080 -16.726 1.00 0.00 N ATOM 0 H ARG A 49 -3.671 -1.297 -11.766 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.829 -0.207 -11.119 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.754 0.981 -13.282 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.082 2.321 -12.202 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.838 2.773 -11.839 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.341 1.114 -12.105 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.321 3.009 -14.279 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.362 2.653 -13.945 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.212 0.244 -14.438 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.557 2.919 -15.916 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.883 2.031 -17.408 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.787 -0.890 -16.358 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.125 -0.116 -17.657 1.00 0.00 H new ATOM 768 N CYS A 50 -3.585 0.655 -8.954 1.00 0.00 N ATOM 769 CA CYS A 50 -3.803 1.280 -7.655 1.00 0.00 C ATOM 770 C CYS A 50 -3.693 0.254 -6.532 1.00 0.00 C ATOM 771 O CYS A 50 -3.903 -0.941 -6.745 1.00 0.00 O ATOM 772 CB CYS A 50 -5.175 1.954 -7.613 1.00 0.00 C ATOM 773 SG CYS A 50 -5.330 3.381 -8.714 1.00 0.00 S ATOM 0 H CYS A 50 -4.059 -0.240 -9.076 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.031 2.035 -7.510 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.937 1.220 -7.877 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.380 2.273 -6.591 1.00 0.00 H new ATOM 0 HG CYS A 50 -5.390 2.973 -9.947 1.00 0.00 H new ATOM 779 N LEU A 51 -3.360 0.727 -5.336 1.00 0.00 N ATOM 780 CA LEU A 51 -3.220 -0.150 -4.178 1.00 0.00 C ATOM 781 C LEU A 51 -4.457 -0.080 -3.289 1.00 0.00 C ATOM 782 O LEU A 51 -5.003 0.998 -3.051 1.00 0.00 O ATOM 783 CB LEU A 51 -1.977 0.231 -3.373 1.00 0.00 C ATOM 784 CG LEU A 51 -1.317 -0.899 -2.582 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.150 -0.588 -2.329 1.00 0.00 C ATOM 786 CD2 LEU A 51 -2.049 -1.128 -1.268 1.00 0.00 C ATOM 0 H LEU A 51 -3.182 1.713 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.112 -1.173 -4.539 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.239 0.647 -4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.249 1.024 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.377 -1.813 -3.173 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.603 -1.403 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.667 -0.475 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.233 0.337 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.566 -1.936 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.021 -0.216 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.086 -1.397 -1.471 1.00 0.00 H new ATOM 798 N PHE A 52 -4.894 -1.235 -2.799 1.00 0.00 N ATOM 799 CA PHE A 52 -6.066 -1.305 -1.935 1.00 0.00 C ATOM 800 C PHE A 52 -5.849 -2.306 -0.804 1.00 0.00 C ATOM 801 O PHE A 52 -5.627 -3.493 -1.045 1.00 0.00 O ATOM 802 CB PHE A 52 -7.303 -1.696 -2.747 1.00 0.00 C ATOM 803 CG PHE A 52 -7.521 -0.834 -3.958 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.622 0.542 -3.836 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.626 -1.401 -5.218 1.00 0.00 C ATOM 806 CE1 PHE A 52 -7.823 1.338 -4.948 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.827 -0.611 -6.334 1.00 0.00 C ATOM 808 CZ PHE A 52 -7.927 0.760 -6.199 1.00 0.00 C ATOM 0 H PHE A 52 -4.454 -2.136 -2.986 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.224 -0.319 -1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.207 -2.735 -3.063 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.182 -1.637 -2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.543 0.998 -2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.550 -2.473 -5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.899 2.410 -4.839 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.906 -1.065 -7.311 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.086 1.379 -7.069 1.00 0.00 H new ATOM 818 N TYR A 53 -5.915 -1.819 0.430 1.00 0.00 N ATOM 819 CA TYR A 53 -5.722 -2.669 1.599 1.00 0.00 C ATOM 820 C TYR A 53 -7.043 -2.901 2.327 1.00 0.00 C ATOM 821 O TYR A 53 -7.774 -1.956 2.626 1.00 0.00 O ATOM 822 CB TYR A 53 -4.705 -2.040 2.552 1.00 0.00 C ATOM 823 CG TYR A 53 -5.197 -0.771 3.211 1.00 0.00 C ATOM 824 CD1 TYR A 53 -5.899 -0.815 4.409 1.00 0.00 C ATOM 825 CD2 TYR A 53 -4.961 0.471 2.635 1.00 0.00 C ATOM 826 CE1 TYR A 53 -6.351 0.341 5.015 1.00 0.00 C ATOM 827 CE2 TYR A 53 -5.408 1.633 3.234 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.102 1.563 4.424 1.00 0.00 C ATOM 829 OH TYR A 53 -6.551 2.717 5.023 1.00 0.00 O ATOM 0 H TYR A 53 -6.101 -0.840 0.647 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.341 -3.632 1.258 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.447 -2.764 3.325 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.790 -1.822 2.001 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.095 -1.770 4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.419 0.529 1.703 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.896 0.289 5.946 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.215 2.591 2.773 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.946 3.456 4.804 1.00 0.00 H new ATOM 839 N TYR A 54 -7.341 -4.164 2.610 1.00 0.00 N ATOM 840 CA TYR A 54 -8.574 -4.521 3.302 1.00 0.00 C ATOM 841 C TYR A 54 -8.277 -5.084 4.689 1.00 0.00 C ATOM 842 O TYR A 54 -7.201 -5.631 4.933 1.00 0.00 O ATOM 843 CB TYR A 54 -9.365 -5.543 2.484 1.00 0.00 C ATOM 844 CG TYR A 54 -9.790 -5.032 1.125 1.00 0.00 C ATOM 845 CD1 TYR A 54 -8.953 -5.154 0.023 1.00 0.00 C ATOM 846 CD2 TYR A 54 -11.027 -4.428 0.945 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.336 -4.688 -1.220 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.420 -3.961 -0.295 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.571 -4.093 -1.374 1.00 0.00 C ATOM 850 OH TYR A 54 -10.958 -3.628 -2.610 1.00 0.00 O ATOM 0 H TYR A 54 -6.746 -4.957 2.371 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.171 -3.616 3.417 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.758 -6.439 2.353 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.251 -5.838 3.046 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.986 -5.621 0.140 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.693 -4.321 1.788 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.672 -4.789 -2.066 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.387 -3.495 -0.418 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.933 -3.687 -2.691 1.00 0.00 H new ATOM 860 N LYS A 55 -9.239 -4.945 5.595 1.00 0.00 N ATOM 861 CA LYS A 55 -9.084 -5.440 6.957 1.00 0.00 C ATOM 862 C LYS A 55 -8.723 -6.923 6.960 1.00 0.00 C ATOM 863 O LYS A 55 -8.004 -7.394 7.841 1.00 0.00 O ATOM 864 CB LYS A 55 -10.373 -5.217 7.753 1.00 0.00 C ATOM 865 CG LYS A 55 -11.586 -5.905 7.151 1.00 0.00 C ATOM 866 CD LYS A 55 -12.659 -6.158 8.196 1.00 0.00 C ATOM 867 CE LYS A 55 -14.034 -6.299 7.561 1.00 0.00 C ATOM 868 NZ LYS A 55 -14.564 -4.991 7.088 1.00 0.00 N ATOM 0 H LYS A 55 -10.135 -4.493 5.410 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.272 -4.885 7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.229 -5.579 8.771 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.569 -4.147 7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.995 -5.289 6.350 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.283 -6.851 6.702 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.420 -7.064 8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.671 -5.337 8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.977 -6.992 6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.725 -6.731 8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.586 -5.073 6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.392 -4.265 7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.084 -4.721 6.206 1.00 0.00 H new ATOM 882 N ASP A 56 -9.226 -7.651 5.969 1.00 0.00 N ATOM 883 CA ASP A 56 -8.954 -9.079 5.856 1.00 0.00 C ATOM 884 C ASP A 56 -9.060 -9.539 4.406 1.00 0.00 C ATOM 885 O ASP A 56 -9.402 -8.756 3.520 1.00 0.00 O ATOM 886 CB ASP A 56 -9.925 -9.875 6.729 1.00 0.00 C ATOM 887 CG ASP A 56 -9.756 -9.575 8.206 1.00 0.00 C ATOM 888 OD1 ASP A 56 -8.639 -9.776 8.728 1.00 0.00 O ATOM 889 OD2 ASP A 56 -10.740 -9.139 8.839 1.00 0.00 O ATOM 0 H ASP A 56 -9.824 -7.276 5.233 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.936 -9.259 6.202 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.948 -9.647 6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.773 -10.941 6.558 1.00 0.00 H new ATOM 894 N GLU A 57 -8.764 -10.814 4.171 1.00 0.00 N ATOM 895 CA GLU A 57 -8.824 -11.377 2.827 1.00 0.00 C ATOM 896 C GLU A 57 -10.251 -11.340 2.286 1.00 0.00 C ATOM 897 O GLU A 57 -10.480 -11.545 1.094 1.00 0.00 O ATOM 898 CB GLU A 57 -8.305 -12.816 2.829 1.00 0.00 C ATOM 899 CG GLU A 57 -9.107 -13.751 3.718 1.00 0.00 C ATOM 900 CD GLU A 57 -10.361 -14.269 3.040 1.00 0.00 C ATOM 901 OE1 GLU A 57 -10.306 -14.549 1.824 1.00 0.00 O ATOM 902 OE2 GLU A 57 -11.397 -14.393 3.725 1.00 0.00 O ATOM 0 H GLU A 57 -8.480 -11.476 4.893 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.191 -10.772 2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.317 -13.199 1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.266 -12.818 3.158 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.481 -14.595 4.009 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.383 -13.228 4.633 1.00 0.00 H new ATOM 909 N LYS A 58 -11.206 -11.077 3.171 1.00 0.00 N ATOM 910 CA LYS A 58 -12.611 -11.012 2.784 1.00 0.00 C ATOM 911 C LYS A 58 -12.837 -9.925 1.739 1.00 0.00 C ATOM 912 O LYS A 58 -13.666 -10.077 0.842 1.00 0.00 O ATOM 913 CB LYS A 58 -13.487 -10.746 4.010 1.00 0.00 C ATOM 914 CG LYS A 58 -13.484 -11.883 5.018 1.00 0.00 C ATOM 915 CD LYS A 58 -14.576 -11.707 6.060 1.00 0.00 C ATOM 916 CE LYS A 58 -15.890 -12.319 5.600 1.00 0.00 C ATOM 917 NZ LYS A 58 -15.952 -13.779 5.887 1.00 0.00 N ATOM 0 H LYS A 58 -11.033 -10.905 4.161 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.887 -11.973 2.349 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -13.143 -9.835 4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -14.511 -10.565 3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.625 -12.831 4.499 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.513 -11.931 5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.265 -12.171 6.996 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.719 -10.646 6.263 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -16.719 -11.816 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -16.013 -12.154 4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.863 -14.159 5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.176 -14.263 5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -15.861 -13.936 6.911 1.00 0.00 H new ATOM 931 N GLU A 59 -12.095 -8.829 1.860 1.00 0.00 N ATOM 932 CA GLU A 59 -12.215 -7.717 0.924 1.00 0.00 C ATOM 933 C GLU A 59 -13.639 -7.169 0.912 1.00 0.00 C ATOM 934 O GLU A 59 -14.203 -6.902 -0.149 1.00 0.00 O ATOM 935 CB GLU A 59 -11.816 -8.162 -0.484 1.00 0.00 C ATOM 936 CG GLU A 59 -10.351 -8.545 -0.609 1.00 0.00 C ATOM 937 CD GLU A 59 -10.112 -9.594 -1.678 1.00 0.00 C ATOM 938 OE1 GLU A 59 -10.793 -10.640 -1.645 1.00 0.00 O ATOM 939 OE2 GLU A 59 -9.244 -9.369 -2.547 1.00 0.00 O ATOM 0 H GLU A 59 -11.404 -8.687 2.597 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.542 -6.925 1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.431 -9.013 -0.775 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.033 -7.357 -1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.765 -7.655 -0.841 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.994 -8.921 0.350 1.00 0.00 H new ATOM 946 N GLU A 60 -14.214 -7.004 2.100 1.00 0.00 N ATOM 947 CA GLU A 60 -15.572 -6.489 2.225 1.00 0.00 C ATOM 948 C GLU A 60 -15.693 -5.109 1.584 1.00 0.00 C ATOM 949 O GLU A 60 -16.491 -4.905 0.670 1.00 0.00 O ATOM 950 CB GLU A 60 -15.980 -6.416 3.698 1.00 0.00 C ATOM 951 CG GLU A 60 -16.299 -7.770 4.309 1.00 0.00 C ATOM 952 CD GLU A 60 -17.680 -8.270 3.932 1.00 0.00 C ATOM 953 OE1 GLU A 60 -18.053 -8.145 2.747 1.00 0.00 O ATOM 954 OE2 GLU A 60 -18.387 -8.785 4.822 1.00 0.00 O ATOM 0 H GLU A 60 -13.761 -7.219 2.988 1.00 0.00 H new ATOM 0 HA GLU A 60 -16.241 -7.173 1.703 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.175 -5.951 4.267 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.852 -5.769 3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.553 -8.496 3.985 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -16.226 -7.701 5.394 1.00 0.00 H new ATOM 961 N SER A 61 -14.893 -4.165 2.071 1.00 0.00 N ATOM 962 CA SER A 61 -14.913 -2.804 1.549 1.00 0.00 C ATOM 963 C SER A 61 -13.535 -2.159 1.663 1.00 0.00 C ATOM 964 O SER A 61 -12.813 -2.379 2.636 1.00 0.00 O ATOM 965 CB SER A 61 -15.946 -1.962 2.300 1.00 0.00 C ATOM 966 OG SER A 61 -17.225 -2.068 1.699 1.00 0.00 O ATOM 0 H SER A 61 -14.224 -4.318 2.825 1.00 0.00 H new ATOM 0 HA SER A 61 -15.189 -2.849 0.495 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.001 -2.289 3.338 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.631 -0.919 2.310 1.00 0.00 H new ATOM 0 HG SER A 61 -17.311 -2.942 1.265 1.00 0.00 H new ATOM 972 N ILE A 62 -13.177 -1.362 0.662 1.00 0.00 N ATOM 973 CA ILE A 62 -11.886 -0.684 0.650 1.00 0.00 C ATOM 974 C ILE A 62 -11.793 0.340 1.776 1.00 0.00 C ATOM 975 O ILE A 62 -12.573 1.291 1.832 1.00 0.00 O ATOM 976 CB ILE A 62 -11.635 0.024 -0.694 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.572 -0.998 -1.831 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.350 0.836 -0.633 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.637 -0.376 -3.208 1.00 0.00 C ATOM 0 H ILE A 62 -13.762 -1.170 -0.151 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.125 -1.451 0.795 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.464 0.705 -0.889 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.649 -1.570 -1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.396 -1.703 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.186 1.331 -1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.431 1.586 0.154 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.511 0.174 -0.418 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.587 -1.160 -3.964 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.573 0.173 -3.315 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.798 0.308 -3.338 1.00 0.00 H new ATOM 991 N LEU A 63 -10.832 0.139 2.672 1.00 0.00 N ATOM 992 CA LEU A 63 -10.634 1.046 3.797 1.00 0.00 C ATOM 993 C LEU A 63 -9.869 2.293 3.364 1.00 0.00 C ATOM 994 O LEU A 63 -10.224 3.411 3.733 1.00 0.00 O ATOM 995 CB LEU A 63 -9.879 0.336 4.922 1.00 0.00 C ATOM 996 CG LEU A 63 -10.406 -1.043 5.319 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.476 -1.701 6.326 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.815 -0.933 5.883 1.00 0.00 C ATOM 0 H LEU A 63 -10.178 -0.644 2.641 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.614 1.353 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.836 0.232 4.623 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.895 0.977 5.804 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.441 -1.668 4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.868 -2.682 6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.485 -1.815 5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.407 -1.079 7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.174 -1.924 6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.805 -0.291 6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.476 -0.505 5.129 1.00 0.00 H new ATOM 1010 N GLY A 64 -8.817 2.092 2.575 1.00 0.00 N ATOM 1011 CA GLY A 64 -8.020 3.209 2.102 1.00 0.00 C ATOM 1012 C GLY A 64 -7.328 2.912 0.787 1.00 0.00 C ATOM 1013 O GLY A 64 -6.789 1.822 0.594 1.00 0.00 O ATOM 0 H GLY A 64 -8.503 1.176 2.255 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.660 4.083 1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.272 3.462 2.854 1.00 0.00 H new ATOM 1017 N SER A 65 -7.346 3.882 -0.121 1.00 0.00 N ATOM 1018 CA SER A 65 -6.720 3.717 -1.428 1.00 0.00 C ATOM 1019 C SER A 65 -5.566 4.699 -1.606 1.00 0.00 C ATOM 1020 O SER A 65 -5.620 5.831 -1.123 1.00 0.00 O ATOM 1021 CB SER A 65 -7.751 3.917 -2.540 1.00 0.00 C ATOM 1022 OG SER A 65 -8.720 2.883 -2.530 1.00 0.00 O ATOM 0 H SER A 65 -7.787 4.790 0.024 1.00 0.00 H new ATOM 0 HA SER A 65 -6.324 2.703 -1.488 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.243 4.882 -2.415 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.248 3.939 -3.507 1.00 0.00 H new ATOM 0 HG SER A 65 -8.619 2.332 -3.334 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.524 4.258 -2.302 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.357 5.098 -2.545 1.00 0.00 C ATOM 1030 C ILE A 66 -2.841 4.923 -3.969 1.00 0.00 C ATOM 1031 O ILE A 66 -2.479 3.826 -4.394 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.220 4.782 -1.555 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -2.698 4.980 -0.115 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.009 5.657 -1.843 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -2.006 4.075 0.880 1.00 0.00 C ATOM 0 H ILE A 66 -4.464 3.324 -2.708 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.675 6.131 -2.401 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.928 3.739 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.534 6.018 0.174 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.772 4.803 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.214 5.422 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.658 5.470 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.286 6.706 -1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.394 4.270 1.880 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.191 3.034 0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.933 4.268 0.863 1.00 0.00 H new ATOM 1047 N PRO A 67 -2.803 6.030 -4.724 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.329 6.026 -6.112 1.00 0.00 C ATOM 1049 C PRO A 67 -0.826 5.788 -6.211 1.00 0.00 C ATOM 1050 O PRO A 67 -0.027 6.594 -5.732 1.00 0.00 O ATOM 1051 CB PRO A 67 -2.683 7.429 -6.612 1.00 0.00 C ATOM 1052 CG PRO A 67 -2.723 8.270 -5.383 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.218 7.372 -4.283 1.00 0.00 C ATOM 0 HA PRO A 67 -2.782 5.224 -6.695 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.939 7.797 -7.319 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.643 7.435 -7.127 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.735 8.666 -5.149 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.386 9.125 -5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -2.776 7.633 -3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.300 7.440 -4.165 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.448 4.679 -6.835 1.00 0.00 N ATOM 1062 CA LEU A 68 0.961 4.335 -6.998 1.00 0.00 C ATOM 1063 C LEU A 68 1.515 4.909 -8.298 1.00 0.00 C ATOM 1064 O LEU A 68 2.718 5.139 -8.424 1.00 0.00 O ATOM 1065 CB LEU A 68 1.141 2.816 -6.979 1.00 0.00 C ATOM 1066 CG LEU A 68 1.082 2.150 -5.605 1.00 0.00 C ATOM 1067 CD1 LEU A 68 0.918 0.644 -5.748 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.330 2.478 -4.799 1.00 0.00 C ATOM 0 H LEU A 68 -1.097 4.002 -7.237 1.00 0.00 H new ATOM 0 HA LEU A 68 1.515 4.770 -6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.371 2.371 -7.609 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.102 2.579 -7.435 1.00 0.00 H new ATOM 0 HG LEU A 68 0.216 2.540 -5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 68 0.878 0.187 -4.759 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.005 0.428 -6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.764 0.237 -6.302 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.270 1.995 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.211 2.117 -5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.404 3.557 -4.666 1.00 0.00 H new ATOM 1080 N LEU A 69 0.629 5.139 -9.261 1.00 0.00 N ATOM 1081 CA LEU A 69 1.029 5.689 -10.552 1.00 0.00 C ATOM 1082 C LEU A 69 1.738 7.028 -10.378 1.00 0.00 C ATOM 1083 O LEU A 69 2.343 7.548 -11.315 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.193 5.860 -11.456 1.00 0.00 C ATOM 1085 CG LEU A 69 -0.088 6.944 -12.529 1.00 0.00 C ATOM 1086 CD1 LEU A 69 0.956 6.567 -13.568 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.440 7.176 -13.188 1.00 0.00 C ATOM 0 H LEU A 69 -0.370 4.953 -9.173 1.00 0.00 H new ATOM 0 HA LEU A 69 1.723 4.989 -11.018 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.392 4.908 -11.948 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.056 6.081 -10.828 1.00 0.00 H new ATOM 0 HG LEU A 69 0.224 7.872 -12.051 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.017 7.350 -14.324 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.926 6.453 -13.084 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.675 5.627 -14.042 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.346 7.951 -13.949 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.782 6.251 -13.652 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.162 7.493 -12.435 1.00 0.00 H new ATOM 1099 N SER A 70 1.662 7.580 -9.171 1.00 0.00 N ATOM 1100 CA SER A 70 2.296 8.859 -8.874 1.00 0.00 C ATOM 1101 C SER A 70 3.299 8.716 -7.733 1.00 0.00 C ATOM 1102 O SER A 70 3.397 9.584 -6.865 1.00 0.00 O ATOM 1103 CB SER A 70 1.238 9.903 -8.511 1.00 0.00 C ATOM 1104 OG SER A 70 0.333 10.106 -9.582 1.00 0.00 O ATOM 0 H SER A 70 1.168 7.161 -8.383 1.00 0.00 H new ATOM 0 HA SER A 70 2.831 9.188 -9.765 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.691 9.579 -7.626 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.724 10.845 -8.258 1.00 0.00 H new ATOM 0 HG SER A 70 -0.334 10.776 -9.324 1.00 0.00 H new ATOM 1110 N PHE A 71 4.042 7.615 -7.741 1.00 0.00 N ATOM 1111 CA PHE A 71 5.037 7.357 -6.707 1.00 0.00 C ATOM 1112 C PHE A 71 6.243 6.621 -7.285 1.00 0.00 C ATOM 1113 O PHE A 71 6.196 6.115 -8.406 1.00 0.00 O ATOM 1114 CB PHE A 71 4.423 6.537 -5.571 1.00 0.00 C ATOM 1115 CG PHE A 71 3.679 7.370 -4.566 1.00 0.00 C ATOM 1116 CD1 PHE A 71 2.424 7.878 -4.861 1.00 0.00 C ATOM 1117 CD2 PHE A 71 4.234 7.644 -3.327 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.737 8.645 -3.939 1.00 0.00 C ATOM 1119 CE2 PHE A 71 3.552 8.410 -2.400 1.00 0.00 C ATOM 1120 CZ PHE A 71 2.301 8.910 -2.706 1.00 0.00 C ATOM 0 H PHE A 71 3.974 6.887 -8.452 1.00 0.00 H new ATOM 0 HA PHE A 71 5.372 8.317 -6.313 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.743 5.798 -5.994 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.214 5.987 -5.061 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.977 7.672 -5.823 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.211 7.255 -3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.760 9.037 -4.182 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.997 8.617 -1.438 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.765 9.507 -1.983 1.00 0.00 H new ATOM 1130 N ARG A 72 7.322 6.567 -6.511 1.00 0.00 N ATOM 1131 CA ARG A 72 8.541 5.895 -6.946 1.00 0.00 C ATOM 1132 C ARG A 72 8.992 4.865 -5.914 1.00 0.00 C ATOM 1133 O ARG A 72 9.905 5.116 -5.128 1.00 0.00 O ATOM 1134 CB ARG A 72 9.655 6.917 -7.182 1.00 0.00 C ATOM 1135 CG ARG A 72 9.822 7.911 -6.044 1.00 0.00 C ATOM 1136 CD ARG A 72 11.200 8.552 -6.061 1.00 0.00 C ATOM 1137 NE ARG A 72 12.259 7.580 -5.801 1.00 0.00 N ATOM 1138 CZ ARG A 72 13.479 7.914 -5.393 1.00 0.00 C ATOM 1139 NH1 ARG A 72 13.791 9.188 -5.200 1.00 0.00 N ATOM 1140 NH2 ARG A 72 14.388 6.972 -5.178 1.00 0.00 N ATOM 0 H ARG A 72 7.377 6.980 -5.580 1.00 0.00 H new ATOM 0 HA ARG A 72 8.327 5.378 -7.881 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.596 6.388 -7.332 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.446 7.463 -8.102 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.059 8.685 -6.121 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.667 7.404 -5.091 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.369 9.022 -7.030 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.241 9.342 -5.312 1.00 0.00 H new ATOM 0 HE ARG A 72 12.051 6.591 -5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 72 13.094 9.914 -5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.728 9.442 -4.887 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.151 5.991 -5.326 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.324 7.229 -4.865 1.00 0.00 H new ATOM 1154 N VAL A 73 8.344 3.704 -5.923 1.00 0.00 N ATOM 1155 CA VAL A 73 8.678 2.636 -4.989 1.00 0.00 C ATOM 1156 C VAL A 73 10.170 2.326 -5.019 1.00 0.00 C ATOM 1157 O VAL A 73 10.809 2.402 -6.068 1.00 0.00 O ATOM 1158 CB VAL A 73 7.891 1.349 -5.304 1.00 0.00 C ATOM 1159 CG1 VAL A 73 8.236 0.254 -4.306 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.396 1.627 -5.309 1.00 0.00 C ATOM 0 H VAL A 73 7.585 3.480 -6.567 1.00 0.00 H new ATOM 0 HA VAL A 73 8.403 2.988 -3.995 1.00 0.00 H new ATOM 0 HB VAL A 73 8.176 1.003 -6.298 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.671 -0.647 -4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.303 0.037 -4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.982 0.586 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.856 0.707 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.092 1.997 -4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.168 2.376 -6.067 1.00 0.00 H new ATOM 1170 N ALA A 74 10.719 1.976 -3.860 1.00 0.00 N ATOM 1171 CA ALA A 74 12.137 1.652 -3.754 1.00 0.00 C ATOM 1172 C ALA A 74 12.469 1.089 -2.376 1.00 0.00 C ATOM 1173 O ALA A 74 11.977 1.578 -1.360 1.00 0.00 O ATOM 1174 CB ALA A 74 12.982 2.884 -4.040 1.00 0.00 C ATOM 0 H ALA A 74 10.204 1.910 -2.982 1.00 0.00 H new ATOM 0 HA ALA A 74 12.367 0.887 -4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.038 2.628 -3.957 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.773 3.242 -5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.741 3.666 -3.320 1.00 0.00 H new ATOM 1180 N ALA A 75 13.306 0.057 -2.351 1.00 0.00 N ATOM 1181 CA ALA A 75 13.704 -0.572 -1.098 1.00 0.00 C ATOM 1182 C ALA A 75 14.200 0.465 -0.096 1.00 0.00 C ATOM 1183 O ALA A 75 14.967 1.363 -0.444 1.00 0.00 O ATOM 1184 CB ALA A 75 14.779 -1.620 -1.351 1.00 0.00 C ATOM 0 H ALA A 75 13.721 -0.361 -3.184 1.00 0.00 H new ATOM 0 HA ALA A 75 12.828 -1.061 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.067 -2.082 -0.406 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.391 -2.384 -2.025 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.650 -1.146 -1.803 1.00 0.00 H new ATOM 1190 N VAL A 76 13.757 0.336 1.151 1.00 0.00 N ATOM 1191 CA VAL A 76 14.156 1.262 2.204 1.00 0.00 C ATOM 1192 C VAL A 76 15.666 1.472 2.208 1.00 0.00 C ATOM 1193 O VAL A 76 16.428 0.567 1.871 1.00 0.00 O ATOM 1194 CB VAL A 76 13.715 0.759 3.591 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.201 0.828 3.728 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.215 -0.658 3.827 1.00 0.00 C ATOM 0 H VAL A 76 13.122 -0.401 1.456 1.00 0.00 H new ATOM 0 HA VAL A 76 13.661 2.210 1.996 1.00 0.00 H new ATOM 0 HB VAL A 76 14.155 1.407 4.350 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.908 0.469 4.714 1.00 0.00 H new ATOM 0 HG12 VAL A 76 11.871 1.860 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.738 0.205 2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 76 13.894 -0.998 4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.806 -1.320 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.304 -0.673 3.775 1.00 0.00 H new ATOM 1206 N GLN A 77 16.090 2.671 2.593 1.00 0.00 N ATOM 1207 CA GLN A 77 17.510 3.000 2.641 1.00 0.00 C ATOM 1208 C GLN A 77 18.223 2.179 3.710 1.00 0.00 C ATOM 1209 O GLN A 77 17.611 1.683 4.657 1.00 0.00 O ATOM 1210 CB GLN A 77 17.701 4.492 2.915 1.00 0.00 C ATOM 1211 CG GLN A 77 17.510 5.366 1.686 1.00 0.00 C ATOM 1212 CD GLN A 77 17.998 6.786 1.897 1.00 0.00 C ATOM 1213 OE1 GLN A 77 17.469 7.518 2.734 1.00 0.00 O ATOM 1214 NE2 GLN A 77 19.012 7.183 1.138 1.00 0.00 N ATOM 0 H GLN A 77 15.471 3.431 2.876 1.00 0.00 H new ATOM 0 HA GLN A 77 17.946 2.758 1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 77 16.996 4.804 3.686 1.00 0.00 H new ATOM 0 HB3 GLN A 77 18.702 4.654 3.314 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.043 4.924 0.844 1.00 0.00 H new ATOM 0 HG3 GLN A 77 16.453 5.385 1.419 1.00 0.00 H new ATOM 0 HE21 GLN A 77 19.420 6.543 0.457 1.00 0.00 H new ATOM 0 HE22 GLN A 77 19.383 8.128 1.236 1.00 0.00 H new ATOM 1223 N PRO A 78 19.547 2.030 3.558 1.00 0.00 N ATOM 1224 CA PRO A 78 20.372 1.269 4.501 1.00 0.00 C ATOM 1225 C PRO A 78 20.507 1.970 5.849 1.00 0.00 C ATOM 1226 O PRO A 78 21.171 1.469 6.756 1.00 0.00 O ATOM 1227 CB PRO A 78 21.731 1.191 3.801 1.00 0.00 C ATOM 1228 CG PRO A 78 21.761 2.375 2.899 1.00 0.00 C ATOM 1229 CD PRO A 78 20.341 2.593 2.453 1.00 0.00 C ATOM 0 HA PRO A 78 19.938 0.295 4.729 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.549 1.221 4.521 1.00 0.00 H new ATOM 0 HB3 PRO A 78 21.834 0.263 3.239 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.145 3.252 3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 78 22.415 2.199 2.045 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.125 3.651 2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.134 2.087 1.510 1.00 0.00 H new ATOM 1237 N SER A 79 19.872 3.131 5.973 1.00 0.00 N ATOM 1238 CA SER A 79 19.924 3.903 7.209 1.00 0.00 C ATOM 1239 C SER A 79 18.519 4.244 7.697 1.00 0.00 C ATOM 1240 O SER A 79 18.338 5.131 8.531 1.00 0.00 O ATOM 1241 CB SER A 79 20.730 5.186 7.001 1.00 0.00 C ATOM 1242 OG SER A 79 20.028 6.101 6.177 1.00 0.00 O ATOM 0 H SER A 79 19.315 3.558 5.232 1.00 0.00 H new ATOM 0 HA SER A 79 20.415 3.294 7.968 1.00 0.00 H new ATOM 0 HB2 SER A 79 20.940 5.648 7.966 1.00 0.00 H new ATOM 0 HB3 SER A 79 21.691 4.946 6.547 1.00 0.00 H new ATOM 0 HG SER A 79 20.563 6.914 6.061 1.00 0.00 H new ATOM 1248 N ASP A 80 17.528 3.534 7.169 1.00 0.00 N ATOM 1249 CA ASP A 80 16.139 3.760 7.549 1.00 0.00 C ATOM 1250 C ASP A 80 15.933 3.493 9.037 1.00 0.00 C ATOM 1251 O ASP A 80 16.848 3.051 9.731 1.00 0.00 O ATOM 1252 CB ASP A 80 15.210 2.867 6.725 1.00 0.00 C ATOM 1253 CG ASP A 80 15.333 1.402 7.099 1.00 0.00 C ATOM 1254 OD1 ASP A 80 16.365 1.027 7.693 1.00 0.00 O ATOM 1255 OD2 ASP A 80 14.397 0.632 6.796 1.00 0.00 O ATOM 0 H ASP A 80 17.661 2.797 6.476 1.00 0.00 H new ATOM 0 HA ASP A 80 15.899 4.804 7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 80 14.179 3.190 6.868 1.00 0.00 H new ATOM 0 HB3 ASP A 80 15.438 2.989 5.666 1.00 0.00 H new ATOM 1260 N ASN A 81 14.725 3.765 9.520 1.00 0.00 N ATOM 1261 CA ASN A 81 14.399 3.556 10.926 1.00 0.00 C ATOM 1262 C ASN A 81 13.441 2.380 11.094 1.00 0.00 C ATOM 1263 O ASN A 81 12.557 2.404 11.950 1.00 0.00 O ATOM 1264 CB ASN A 81 13.779 4.822 11.522 1.00 0.00 C ATOM 1265 CG ASN A 81 14.822 5.755 12.106 1.00 0.00 C ATOM 1266 OD1 ASN A 81 14.805 6.052 13.301 1.00 0.00 O ATOM 1267 ND2 ASN A 81 15.735 6.224 11.264 1.00 0.00 N ATOM 0 H ASN A 81 13.956 4.131 8.959 1.00 0.00 H new ATOM 0 HA ASN A 81 15.323 3.328 11.457 1.00 0.00 H new ATOM 0 HB2 ASN A 81 13.217 5.347 10.749 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.068 4.544 12.300 1.00 0.00 H new ATOM 0 HD21 ASN A 81 16.461 6.857 11.600 1.00 0.00 H new ATOM 0 HD22 ASN A 81 15.711 5.951 10.282 1.00 0.00 H new ATOM 1274 N ILE A 82 13.624 1.353 10.270 1.00 0.00 N ATOM 1275 CA ILE A 82 12.777 0.168 10.329 1.00 0.00 C ATOM 1276 C ILE A 82 13.553 -1.037 10.849 1.00 0.00 C ATOM 1277 O ILE A 82 14.539 -1.460 10.247 1.00 0.00 O ATOM 1278 CB ILE A 82 12.189 -0.172 8.946 1.00 0.00 C ATOM 1279 CG1 ILE A 82 11.655 1.092 8.270 1.00 0.00 C ATOM 1280 CG2 ILE A 82 11.088 -1.213 9.081 1.00 0.00 C ATOM 1281 CD1 ILE A 82 10.267 1.481 8.726 1.00 0.00 C ATOM 0 H ILE A 82 14.350 1.318 9.555 1.00 0.00 H new ATOM 0 HA ILE A 82 11.962 0.396 11.016 1.00 0.00 H new ATOM 0 HB ILE A 82 12.981 -0.587 8.322 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.339 1.917 8.469 1.00 0.00 H new ATOM 0 HG13 ILE A 82 11.645 0.940 7.191 1.00 0.00 H new ATOM 0 HG21 ILE A 82 10.682 -1.443 8.096 1.00 0.00 H new ATOM 0 HG22 ILE A 82 11.497 -2.120 9.526 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.294 -0.823 9.718 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.953 2.386 8.205 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.571 0.673 8.502 1.00 0.00 H new ATOM 0 HD13 ILE A 82 10.275 1.665 9.800 1.00 0.00 H new ATOM 1293 N SER A 83 13.100 -1.586 11.972 1.00 0.00 N ATOM 1294 CA SER A 83 13.752 -2.742 12.575 1.00 0.00 C ATOM 1295 C SER A 83 13.692 -3.948 11.643 1.00 0.00 C ATOM 1296 O SER A 83 14.701 -4.611 11.402 1.00 0.00 O ATOM 1297 CB SER A 83 13.095 -3.084 13.914 1.00 0.00 C ATOM 1298 OG SER A 83 13.549 -2.219 14.940 1.00 0.00 O ATOM 0 H SER A 83 12.284 -1.248 12.482 1.00 0.00 H new ATOM 0 HA SER A 83 14.798 -2.489 12.746 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.012 -3.006 13.821 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.319 -4.117 14.179 1.00 0.00 H new ATOM 0 HG SER A 83 13.113 -2.457 15.785 1.00 0.00 H new ATOM 1304 N ARG A 84 12.501 -4.226 11.122 1.00 0.00 N ATOM 1305 CA ARG A 84 12.308 -5.353 10.217 1.00 0.00 C ATOM 1306 C ARG A 84 13.079 -5.145 8.917 1.00 0.00 C ATOM 1307 O ARG A 84 13.218 -4.019 8.438 1.00 0.00 O ATOM 1308 CB ARG A 84 10.820 -5.542 9.915 1.00 0.00 C ATOM 1309 CG ARG A 84 9.996 -5.930 11.132 1.00 0.00 C ATOM 1310 CD ARG A 84 8.542 -5.515 10.976 1.00 0.00 C ATOM 1311 NE ARG A 84 7.638 -6.400 11.707 1.00 0.00 N ATOM 1312 CZ ARG A 84 7.580 -6.457 13.033 1.00 0.00 C ATOM 1313 NH1 ARG A 84 8.368 -5.686 13.769 1.00 0.00 N ATOM 1314 NH2 ARG A 84 6.731 -7.288 13.625 1.00 0.00 N ATOM 0 H ARG A 84 11.656 -3.687 11.311 1.00 0.00 H new ATOM 0 HA ARG A 84 12.690 -6.249 10.706 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.422 -4.617 9.497 1.00 0.00 H new ATOM 0 HB3 ARG A 84 10.708 -6.311 9.151 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.054 -7.008 11.283 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.416 -5.461 12.022 1.00 0.00 H new ATOM 0 HD2 ARG A 84 8.416 -4.493 11.334 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.276 -5.518 9.919 1.00 0.00 H new ATOM 0 HE ARG A 84 7.018 -7.007 11.170 1.00 0.00 H new ATOM 0 HH11 ARG A 84 9.022 -5.046 13.317 1.00 0.00 H new ATOM 0 HH12 ARG A 84 8.321 -5.732 14.787 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.123 -7.883 13.062 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.686 -7.332 14.643 1.00 0.00 H new ATOM 1328 N LYS A 85 13.580 -6.238 8.351 1.00 0.00 N ATOM 1329 CA LYS A 85 14.337 -6.177 7.106 1.00 0.00 C ATOM 1330 C LYS A 85 13.426 -6.406 5.904 1.00 0.00 C ATOM 1331 O LYS A 85 12.236 -6.681 6.058 1.00 0.00 O ATOM 1332 CB LYS A 85 15.458 -7.218 7.116 1.00 0.00 C ATOM 1333 CG LYS A 85 16.422 -7.063 8.280 1.00 0.00 C ATOM 1334 CD LYS A 85 17.515 -8.118 8.242 1.00 0.00 C ATOM 1335 CE LYS A 85 18.609 -7.823 9.258 1.00 0.00 C ATOM 1336 NZ LYS A 85 19.462 -9.016 9.516 1.00 0.00 N ATOM 0 H LYS A 85 13.475 -7.177 8.735 1.00 0.00 H new ATOM 0 HA LYS A 85 14.774 -5.182 7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.017 -8.214 7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.015 -7.148 6.182 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.872 -6.070 8.252 1.00 0.00 H new ATOM 0 HG3 LYS A 85 15.875 -7.138 9.220 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.083 -9.098 8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 85 17.947 -8.160 7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.230 -7.004 8.895 1.00 0.00 H new ATOM 0 HE3 LYS A 85 18.157 -7.491 10.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 20.195 -8.774 10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 18.874 -9.790 9.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 19.914 -9.318 8.629 1.00 0.00 H new ATOM 1350 N HIS A 86 13.994 -6.293 4.708 1.00 0.00 N ATOM 1351 CA HIS A 86 13.233 -6.490 3.479 1.00 0.00 C ATOM 1352 C HIS A 86 12.007 -5.583 3.447 1.00 0.00 C ATOM 1353 O HIS A 86 10.882 -6.046 3.256 1.00 0.00 O ATOM 1354 CB HIS A 86 12.803 -7.952 3.349 1.00 0.00 C ATOM 1355 CG HIS A 86 13.804 -8.921 3.898 1.00 0.00 C ATOM 1356 ND1 HIS A 86 15.051 -9.112 3.340 1.00 0.00 N ATOM 1357 CD2 HIS A 86 13.738 -9.755 4.962 1.00 0.00 C ATOM 1358 CE1 HIS A 86 15.707 -10.023 4.036 1.00 0.00 C ATOM 1359 NE2 HIS A 86 14.933 -10.429 5.026 1.00 0.00 N ATOM 0 H HIS A 86 14.978 -6.066 4.563 1.00 0.00 H new ATOM 0 HA HIS A 86 13.876 -6.232 2.638 1.00 0.00 H new ATOM 0 HB2 HIS A 86 11.854 -8.090 3.866 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.629 -8.179 2.297 1.00 0.00 H new ATOM 0 HD2 HIS A 86 12.901 -9.869 5.635 1.00 0.00 H new ATOM 0 HE1 HIS A 86 16.707 -10.376 3.830 1.00 0.00 H new ATOM 0 HE2 HIS A 86 15.182 -11.129 5.725 1.00 0.00 H new ATOM 1368 N THR A 87 12.231 -4.286 3.637 1.00 0.00 N ATOM 1369 CA THR A 87 11.145 -3.314 3.633 1.00 0.00 C ATOM 1370 C THR A 87 11.208 -2.425 2.396 1.00 0.00 C ATOM 1371 O THR A 87 12.269 -2.256 1.794 1.00 0.00 O ATOM 1372 CB THR A 87 11.180 -2.426 4.891 1.00 0.00 C ATOM 1373 OG1 THR A 87 11.113 -3.241 6.067 1.00 0.00 O ATOM 1374 CG2 THR A 87 10.026 -1.436 4.887 1.00 0.00 C ATOM 0 H THR A 87 13.155 -3.885 3.796 1.00 0.00 H new ATOM 0 HA THR A 87 10.214 -3.881 3.624 1.00 0.00 H new ATOM 0 HB THR A 87 12.116 -1.867 4.889 1.00 0.00 H new ATOM 0 HG1 THR A 87 11.721 -2.884 6.748 1.00 0.00 H new ATOM 0 HG21 THR A 87 10.072 -0.820 5.785 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.097 -0.798 4.006 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.081 -1.979 4.867 1.00 0.00 H new ATOM 1382 N PHE A 88 10.066 -1.858 2.022 1.00 0.00 N ATOM 1383 CA PHE A 88 9.992 -0.985 0.856 1.00 0.00 C ATOM 1384 C PHE A 88 9.009 0.157 1.093 1.00 0.00 C ATOM 1385 O PHE A 88 7.905 -0.052 1.596 1.00 0.00 O ATOM 1386 CB PHE A 88 9.574 -1.785 -0.380 1.00 0.00 C ATOM 1387 CG PHE A 88 8.369 -2.652 -0.153 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.412 -3.696 0.757 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.193 -2.423 -0.849 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.305 -4.496 0.967 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.083 -3.220 -0.643 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.138 -4.257 0.267 1.00 0.00 C ATOM 0 H PHE A 88 9.179 -1.987 2.509 1.00 0.00 H new ATOM 0 HA PHE A 88 10.981 -0.560 0.688 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.366 -1.094 -1.197 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.408 -2.411 -0.697 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.321 -3.887 1.308 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.143 -1.612 -1.561 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.352 -5.308 1.678 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.173 -3.032 -1.193 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.271 -4.880 0.431 1.00 0.00 H new ATOM 1402 N LYS A 89 9.418 1.368 0.728 1.00 0.00 N ATOM 1403 CA LYS A 89 8.576 2.545 0.899 1.00 0.00 C ATOM 1404 C LYS A 89 8.412 3.293 -0.420 1.00 0.00 C ATOM 1405 O LYS A 89 9.314 3.301 -1.256 1.00 0.00 O ATOM 1406 CB LYS A 89 9.174 3.477 1.955 1.00 0.00 C ATOM 1407 CG LYS A 89 10.662 3.726 1.773 1.00 0.00 C ATOM 1408 CD LYS A 89 10.921 4.876 0.814 1.00 0.00 C ATOM 1409 CE LYS A 89 12.296 4.767 0.174 1.00 0.00 C ATOM 1410 NZ LYS A 89 12.390 5.570 -1.078 1.00 0.00 N ATOM 0 H LYS A 89 10.329 1.559 0.311 1.00 0.00 H new ATOM 0 HA LYS A 89 7.593 2.212 1.232 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.648 4.431 1.925 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.004 3.050 2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 89 11.116 3.947 2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.140 2.822 1.396 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.156 4.883 0.037 1.00 0.00 H new ATOM 0 HD3 LYS A 89 10.841 5.822 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.054 5.106 0.881 1.00 0.00 H new ATOM 0 HE3 LYS A 89 12.512 3.722 -0.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.390 5.694 -1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 11.893 5.075 -1.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.953 6.502 -0.926 1.00 0.00 H new ATOM 1424 N ALA A 90 7.254 3.921 -0.599 1.00 0.00 N ATOM 1425 CA ALA A 90 6.974 4.675 -1.814 1.00 0.00 C ATOM 1426 C ALA A 90 6.808 6.161 -1.513 1.00 0.00 C ATOM 1427 O ALA A 90 6.128 6.538 -0.560 1.00 0.00 O ATOM 1428 CB ALA A 90 5.728 4.131 -2.497 1.00 0.00 C ATOM 0 H ALA A 90 6.495 3.922 0.082 1.00 0.00 H new ATOM 0 HA ALA A 90 7.824 4.560 -2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.531 4.704 -3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.883 3.084 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.877 4.216 -1.822 1.00 0.00 H new ATOM 1434 N GLU A 91 7.436 6.999 -2.332 1.00 0.00 N ATOM 1435 CA GLU A 91 7.358 8.444 -2.151 1.00 0.00 C ATOM 1436 C GLU A 91 6.939 9.133 -3.447 1.00 0.00 C ATOM 1437 O GLU A 91 7.337 8.724 -4.538 1.00 0.00 O ATOM 1438 CB GLU A 91 8.706 8.995 -1.681 1.00 0.00 C ATOM 1439 CG GLU A 91 9.618 9.424 -2.818 1.00 0.00 C ATOM 1440 CD GLU A 91 11.083 9.416 -2.426 1.00 0.00 C ATOM 1441 OE1 GLU A 91 11.600 8.331 -2.086 1.00 0.00 O ATOM 1442 OE2 GLU A 91 11.712 10.494 -2.460 1.00 0.00 O ATOM 0 H GLU A 91 8.004 6.703 -3.126 1.00 0.00 H new ATOM 0 HA GLU A 91 6.604 8.649 -1.390 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.532 9.848 -1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.213 8.234 -1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.470 8.759 -3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 91 9.339 10.426 -3.145 1.00 0.00 H new ATOM 1449 N HIS A 92 6.132 10.182 -3.318 1.00 0.00 N ATOM 1450 CA HIS A 92 5.658 10.929 -4.478 1.00 0.00 C ATOM 1451 C HIS A 92 6.327 12.298 -4.553 1.00 0.00 C ATOM 1452 O HIS A 92 6.088 13.067 -5.484 1.00 0.00 O ATOM 1453 CB HIS A 92 4.139 11.093 -4.420 1.00 0.00 C ATOM 1454 CG HIS A 92 3.618 12.171 -5.319 1.00 0.00 C ATOM 1455 ND1 HIS A 92 2.937 13.276 -4.853 1.00 0.00 N ATOM 1456 CD2 HIS A 92 3.683 12.310 -6.664 1.00 0.00 C ATOM 1457 CE1 HIS A 92 2.604 14.047 -5.873 1.00 0.00 C ATOM 1458 NE2 HIS A 92 3.046 13.484 -6.983 1.00 0.00 N ATOM 0 H HIS A 92 5.793 10.534 -2.423 1.00 0.00 H new ATOM 0 HA HIS A 92 5.921 10.366 -5.374 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.669 10.147 -4.690 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.845 11.313 -3.394 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.149 11.625 -7.357 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.062 14.979 -5.810 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.933 13.860 -7.924 1.00 0.00 H new ATOM 1467 N ALA A 93 7.165 12.597 -3.565 1.00 0.00 N ATOM 1468 CA ALA A 93 7.869 13.872 -3.520 1.00 0.00 C ATOM 1469 C ALA A 93 6.898 15.040 -3.657 1.00 0.00 C ATOM 1470 O ALA A 93 7.128 15.964 -4.437 1.00 0.00 O ATOM 1471 CB ALA A 93 8.926 13.931 -4.614 1.00 0.00 C ATOM 0 H ALA A 93 7.372 11.973 -2.785 1.00 0.00 H new ATOM 0 HA ALA A 93 8.360 13.953 -2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.444 14.889 -4.568 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.644 13.123 -4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.448 13.823 -5.588 1.00 0.00 H new ATOM 1477 N GLY A 94 5.811 14.992 -2.893 1.00 0.00 N ATOM 1478 CA GLY A 94 4.821 16.052 -2.945 1.00 0.00 C ATOM 1479 C GLY A 94 3.686 15.834 -1.964 1.00 0.00 C ATOM 1480 O GLY A 94 3.216 16.777 -1.327 1.00 0.00 O ATOM 0 H GLY A 94 5.598 14.238 -2.239 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.303 17.006 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.417 16.118 -3.955 1.00 0.00 H new ATOM 1484 N VAL A 95 3.242 14.587 -1.842 1.00 0.00 N ATOM 1485 CA VAL A 95 2.155 14.247 -0.932 1.00 0.00 C ATOM 1486 C VAL A 95 2.689 13.644 0.362 1.00 0.00 C ATOM 1487 O VAL A 95 2.557 14.234 1.434 1.00 0.00 O ATOM 1488 CB VAL A 95 1.170 13.256 -1.580 1.00 0.00 C ATOM 1489 CG1 VAL A 95 0.056 12.898 -0.608 1.00 0.00 C ATOM 1490 CG2 VAL A 95 0.601 13.834 -2.867 1.00 0.00 C ATOM 0 H VAL A 95 3.619 13.795 -2.363 1.00 0.00 H new ATOM 0 HA VAL A 95 1.629 15.175 -0.706 1.00 0.00 H new ATOM 0 HB VAL A 95 1.711 12.343 -1.828 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.630 12.197 -1.083 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.484 12.439 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.485 13.801 -0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.093 13.120 -3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.075 14.763 -2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.413 14.034 -3.566 1.00 0.00 H new ATOM 1500 N ARG A 96 3.294 12.466 0.253 1.00 0.00 N ATOM 1501 CA ARG A 96 3.848 11.781 1.415 1.00 0.00 C ATOM 1502 C ARG A 96 4.650 10.554 0.992 1.00 0.00 C ATOM 1503 O ARG A 96 4.789 10.269 -0.198 1.00 0.00 O ATOM 1504 CB ARG A 96 2.729 11.368 2.372 1.00 0.00 C ATOM 1505 CG ARG A 96 1.990 10.112 1.939 1.00 0.00 C ATOM 1506 CD ARG A 96 0.714 9.911 2.742 1.00 0.00 C ATOM 1507 NE ARG A 96 0.987 9.407 4.085 1.00 0.00 N ATOM 1508 CZ ARG A 96 0.046 9.218 5.004 1.00 0.00 C ATOM 1509 NH1 ARG A 96 -1.221 9.491 4.726 1.00 0.00 N ATOM 1510 NH2 ARG A 96 0.373 8.756 6.204 1.00 0.00 N ATOM 0 H ARG A 96 3.413 11.966 -0.628 1.00 0.00 H new ATOM 0 HA ARG A 96 4.518 12.472 1.927 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.152 11.207 3.364 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.016 12.188 2.459 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.747 10.179 0.879 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.639 9.245 2.063 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.177 10.857 2.812 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.062 9.212 2.218 1.00 0.00 H new ATOM 0 HE ARG A 96 1.952 9.188 4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.476 9.847 3.805 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.941 9.345 5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 96 1.347 8.546 6.421 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.350 8.611 6.909 1.00 0.00 H new ATOM 1524 N THR A 97 5.177 9.830 1.975 1.00 0.00 N ATOM 1525 CA THR A 97 5.966 8.635 1.706 1.00 0.00 C ATOM 1526 C THR A 97 5.446 7.442 2.499 1.00 0.00 C ATOM 1527 O THR A 97 5.586 7.389 3.722 1.00 0.00 O ATOM 1528 CB THR A 97 7.452 8.855 2.045 1.00 0.00 C ATOM 1529 OG1 THR A 97 7.942 10.019 1.371 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.283 7.644 1.646 1.00 0.00 C ATOM 0 H THR A 97 5.071 10.051 2.965 1.00 0.00 H new ATOM 0 HA THR A 97 5.871 8.427 0.640 1.00 0.00 H new ATOM 0 HB THR A 97 7.539 8.997 3.122 1.00 0.00 H new ATOM 0 HG1 THR A 97 8.887 10.152 1.594 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.329 7.822 1.895 1.00 0.00 H new ATOM 0 HG22 THR A 97 7.927 6.765 2.184 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.189 7.476 0.573 1.00 0.00 H new ATOM 1538 N TYR A 98 4.847 6.486 1.798 1.00 0.00 N ATOM 1539 CA TYR A 98 4.304 5.294 2.438 1.00 0.00 C ATOM 1540 C TYR A 98 5.397 4.255 2.670 1.00 0.00 C ATOM 1541 O TYR A 98 6.469 4.319 2.068 1.00 0.00 O ATOM 1542 CB TYR A 98 3.187 4.694 1.583 1.00 0.00 C ATOM 1543 CG TYR A 98 1.859 5.399 1.739 1.00 0.00 C ATOM 1544 CD1 TYR A 98 1.041 5.149 2.834 1.00 0.00 C ATOM 1545 CD2 TYR A 98 1.423 6.317 0.791 1.00 0.00 C ATOM 1546 CE1 TYR A 98 -0.173 5.791 2.979 1.00 0.00 C ATOM 1547 CE2 TYR A 98 0.210 6.965 0.930 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.584 6.698 2.025 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.793 7.341 2.168 1.00 0.00 O ATOM 0 H TYR A 98 4.725 6.513 0.786 1.00 0.00 H new ATOM 0 HA TYR A 98 3.894 5.586 3.405 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.485 4.727 0.535 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.064 3.643 1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 98 1.360 4.441 3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.042 6.528 -0.068 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.798 5.584 3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.114 7.677 0.185 1.00 0.00 H new ATOM 0 HH TYR A 98 -1.932 7.948 1.411 1.00 0.00 H new ATOM 1559 N PHE A 99 5.117 3.298 3.548 1.00 0.00 N ATOM 1560 CA PHE A 99 6.075 2.244 3.861 1.00 0.00 C ATOM 1561 C PHE A 99 5.387 0.883 3.916 1.00 0.00 C ATOM 1562 O PHE A 99 4.200 0.786 4.226 1.00 0.00 O ATOM 1563 CB PHE A 99 6.765 2.533 5.196 1.00 0.00 C ATOM 1564 CG PHE A 99 7.952 3.445 5.071 1.00 0.00 C ATOM 1565 CD1 PHE A 99 7.789 4.771 4.703 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.232 2.976 5.321 1.00 0.00 C ATOM 1567 CE1 PHE A 99 8.879 5.613 4.588 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.326 3.814 5.208 1.00 0.00 C ATOM 1569 CZ PHE A 99 10.149 5.133 4.840 1.00 0.00 C ATOM 0 H PHE A 99 4.235 3.230 4.055 1.00 0.00 H new ATOM 0 HA PHE A 99 6.824 2.221 3.070 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.043 2.980 5.880 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.085 1.591 5.642 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.798 5.151 4.504 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.377 1.945 5.607 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.738 6.645 4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.318 3.437 5.407 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.003 5.788 4.749 1.00 0.00 H new ATOM 1579 N PHE A 100 6.143 -0.168 3.613 1.00 0.00 N ATOM 1580 CA PHE A 100 5.607 -1.524 3.626 1.00 0.00 C ATOM 1581 C PHE A 100 6.720 -2.547 3.835 1.00 0.00 C ATOM 1582 O PHE A 100 7.626 -2.670 3.011 1.00 0.00 O ATOM 1583 CB PHE A 100 4.869 -1.816 2.318 1.00 0.00 C ATOM 1584 CG PHE A 100 3.868 -0.760 1.945 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.698 -0.610 2.671 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.098 0.081 0.868 1.00 0.00 C ATOM 1587 CE1 PHE A 100 1.775 0.361 2.331 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.179 1.054 0.524 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.015 1.194 1.255 1.00 0.00 C ATOM 0 H PHE A 100 7.128 -0.106 3.356 1.00 0.00 H new ATOM 0 HA PHE A 100 4.905 -1.603 4.456 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.598 -1.915 1.513 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.358 -2.775 2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.505 -1.259 3.512 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.005 -0.025 0.291 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.867 0.469 2.906 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.371 1.705 -0.316 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.295 1.952 0.986 1.00 0.00 H new ATOM 1599 N SER A 101 6.645 -3.277 4.943 1.00 0.00 N ATOM 1600 CA SER A 101 7.648 -4.285 5.263 1.00 0.00 C ATOM 1601 C SER A 101 7.224 -5.657 4.746 1.00 0.00 C ATOM 1602 O SER A 101 6.040 -5.908 4.519 1.00 0.00 O ATOM 1603 CB SER A 101 7.876 -4.346 6.775 1.00 0.00 C ATOM 1604 OG SER A 101 8.752 -5.407 7.116 1.00 0.00 O ATOM 0 H SER A 101 5.900 -3.189 5.634 1.00 0.00 H new ATOM 0 HA SER A 101 8.580 -4.003 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.293 -3.400 7.122 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.922 -4.480 7.285 1.00 0.00 H new ATOM 0 HG SER A 101 9.677 -5.140 6.931 1.00 0.00 H new ATOM 1610 N ALA A 102 8.199 -6.540 4.562 1.00 0.00 N ATOM 1611 CA ALA A 102 7.928 -7.887 4.074 1.00 0.00 C ATOM 1612 C ALA A 102 8.660 -8.931 4.909 1.00 0.00 C ATOM 1613 O ALA A 102 9.821 -8.746 5.272 1.00 0.00 O ATOM 1614 CB ALA A 102 8.324 -8.007 2.609 1.00 0.00 C ATOM 0 H ALA A 102 9.184 -6.347 4.743 1.00 0.00 H new ATOM 0 HA ALA A 102 6.858 -8.072 4.166 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.116 -9.018 2.258 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.752 -7.292 2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.388 -7.797 2.501 1.00 0.00 H new ATOM 1620 N GLU A 103 7.973 -10.029 5.210 1.00 0.00 N ATOM 1621 CA GLU A 103 8.559 -11.102 6.004 1.00 0.00 C ATOM 1622 C GLU A 103 9.807 -11.661 5.327 1.00 0.00 C ATOM 1623 O GLU A 103 10.863 -11.783 5.949 1.00 0.00 O ATOM 1624 CB GLU A 103 7.539 -12.222 6.222 1.00 0.00 C ATOM 1625 CG GLU A 103 6.249 -11.751 6.873 1.00 0.00 C ATOM 1626 CD GLU A 103 5.146 -12.789 6.797 1.00 0.00 C ATOM 1627 OE1 GLU A 103 5.262 -13.830 7.477 1.00 0.00 O ATOM 1628 OE2 GLU A 103 4.166 -12.558 6.058 1.00 0.00 O ATOM 0 H GLU A 103 7.011 -10.198 4.916 1.00 0.00 H new ATOM 0 HA GLU A 103 8.845 -10.688 6.971 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.305 -12.681 5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.989 -12.996 6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.442 -11.506 7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 103 5.915 -10.834 6.387 1.00 0.00 H new ATOM 1635 N SER A 104 9.678 -12.001 4.048 1.00 0.00 N ATOM 1636 CA SER A 104 10.793 -12.551 3.287 1.00 0.00 C ATOM 1637 C SER A 104 11.235 -11.582 2.194 1.00 0.00 C ATOM 1638 O SER A 104 10.460 -10.759 1.708 1.00 0.00 O ATOM 1639 CB SER A 104 10.401 -13.893 2.666 1.00 0.00 C ATOM 1640 OG SER A 104 9.237 -13.766 1.868 1.00 0.00 O ATOM 0 H SER A 104 8.812 -11.905 3.518 1.00 0.00 H new ATOM 0 HA SER A 104 11.627 -12.705 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 104 11.223 -14.270 2.058 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.227 -14.625 3.455 1.00 0.00 H new ATOM 0 HG SER A 104 8.693 -14.577 1.951 1.00 0.00 H new ATOM 1646 N PRO A 105 12.512 -11.682 1.797 1.00 0.00 N ATOM 1647 CA PRO A 105 13.088 -10.824 0.758 1.00 0.00 C ATOM 1648 C PRO A 105 12.531 -11.137 -0.627 1.00 0.00 C ATOM 1649 O PRO A 105 12.648 -10.332 -1.549 1.00 0.00 O ATOM 1650 CB PRO A 105 14.583 -11.147 0.818 1.00 0.00 C ATOM 1651 CG PRO A 105 14.650 -12.525 1.380 1.00 0.00 C ATOM 1652 CD PRO A 105 13.493 -12.641 2.333 1.00 0.00 C ATOM 0 HA PRO A 105 12.859 -9.772 0.926 1.00 0.00 H new ATOM 0 HB2 PRO A 105 15.038 -11.100 -0.171 1.00 0.00 H new ATOM 0 HB3 PRO A 105 15.117 -10.436 1.448 1.00 0.00 H new ATOM 0 HG2 PRO A 105 14.581 -13.272 0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 105 15.597 -12.691 1.894 1.00 0.00 H new ATOM 0 HD2 PRO A 105 13.092 -13.654 2.357 1.00 0.00 H new ATOM 0 HD3 PRO A 105 13.785 -12.389 3.352 1.00 0.00 H new ATOM 1660 N GLU A 106 11.925 -12.313 -0.764 1.00 0.00 N ATOM 1661 CA GLU A 106 11.350 -12.731 -2.037 1.00 0.00 C ATOM 1662 C GLU A 106 10.055 -11.978 -2.323 1.00 0.00 C ATOM 1663 O GLU A 106 9.774 -11.618 -3.466 1.00 0.00 O ATOM 1664 CB GLU A 106 11.086 -14.238 -2.031 1.00 0.00 C ATOM 1665 CG GLU A 106 12.341 -15.077 -2.205 1.00 0.00 C ATOM 1666 CD GLU A 106 13.154 -15.181 -0.930 1.00 0.00 C ATOM 1667 OE1 GLU A 106 12.588 -15.592 0.104 1.00 0.00 O ATOM 1668 OE2 GLU A 106 14.359 -14.852 -0.967 1.00 0.00 O ATOM 0 H GLU A 106 11.820 -12.992 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 106 12.067 -12.497 -2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.605 -14.510 -1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 106 10.385 -14.479 -2.830 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.062 -16.077 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.958 -14.642 -2.991 1.00 0.00 H new ATOM 1675 N GLU A 107 9.269 -11.743 -1.277 1.00 0.00 N ATOM 1676 CA GLU A 107 8.003 -11.034 -1.416 1.00 0.00 C ATOM 1677 C GLU A 107 8.237 -9.555 -1.708 1.00 0.00 C ATOM 1678 O GLU A 107 7.602 -8.978 -2.591 1.00 0.00 O ATOM 1679 CB GLU A 107 7.164 -11.187 -0.146 1.00 0.00 C ATOM 1680 CG GLU A 107 6.356 -12.473 -0.102 1.00 0.00 C ATOM 1681 CD GLU A 107 7.229 -13.713 -0.131 1.00 0.00 C ATOM 1682 OE1 GLU A 107 8.008 -13.866 -1.094 1.00 0.00 O ATOM 1683 OE2 GLU A 107 7.133 -14.529 0.809 1.00 0.00 O ATOM 0 H GLU A 107 9.487 -12.034 -0.324 1.00 0.00 H new ATOM 0 HA GLU A 107 7.462 -11.472 -2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.823 -11.152 0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 107 6.485 -10.338 -0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.746 -12.484 0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.671 -12.496 -0.949 1.00 0.00 H new ATOM 1690 N GLN A 108 9.153 -8.948 -0.960 1.00 0.00 N ATOM 1691 CA GLN A 108 9.470 -7.536 -1.138 1.00 0.00 C ATOM 1692 C GLN A 108 9.841 -7.239 -2.587 1.00 0.00 C ATOM 1693 O GLN A 108 9.201 -6.420 -3.246 1.00 0.00 O ATOM 1694 CB GLN A 108 10.618 -7.129 -0.212 1.00 0.00 C ATOM 1695 CG GLN A 108 11.153 -5.732 -0.484 1.00 0.00 C ATOM 1696 CD GLN A 108 12.595 -5.564 -0.049 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.378 -6.514 -0.075 1.00 0.00 O ATOM 1698 NE2 GLN A 108 12.956 -4.351 0.353 1.00 0.00 N ATOM 0 H GLN A 108 9.688 -9.412 -0.226 1.00 0.00 H new ATOM 0 HA GLN A 108 8.583 -6.956 -0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.277 -7.183 0.822 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.431 -7.847 -0.317 1.00 0.00 H new ATOM 0 HG2 GLN A 108 11.072 -5.517 -1.550 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.533 -5.002 0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.275 -3.592 0.359 1.00 0.00 H new ATOM 0 HE22 GLN A 108 13.915 -4.178 0.656 1.00 0.00 H new ATOM 1707 N GLU A 109 10.878 -7.911 -3.077 1.00 0.00 N ATOM 1708 CA GLU A 109 11.333 -7.718 -4.449 1.00 0.00 C ATOM 1709 C GLU A 109 10.186 -7.914 -5.436 1.00 0.00 C ATOM 1710 O GLU A 109 9.968 -7.088 -6.322 1.00 0.00 O ATOM 1711 CB GLU A 109 12.471 -8.688 -4.774 1.00 0.00 C ATOM 1712 CG GLU A 109 11.995 -10.024 -5.320 1.00 0.00 C ATOM 1713 CD GLU A 109 13.141 -10.932 -5.721 1.00 0.00 C ATOM 1714 OE1 GLU A 109 14.002 -10.487 -6.509 1.00 0.00 O ATOM 1715 OE2 GLU A 109 13.177 -12.087 -5.247 1.00 0.00 O ATOM 0 H GLU A 109 11.418 -8.593 -2.545 1.00 0.00 H new ATOM 0 HA GLU A 109 11.699 -6.695 -4.542 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.136 -8.224 -5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 109 13.058 -8.862 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.387 -10.524 -4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.354 -9.851 -6.184 1.00 0.00 H new ATOM 1722 N ALA A 110 9.456 -9.013 -5.275 1.00 0.00 N ATOM 1723 CA ALA A 110 8.331 -9.317 -6.150 1.00 0.00 C ATOM 1724 C ALA A 110 7.316 -8.179 -6.155 1.00 0.00 C ATOM 1725 O ALA A 110 6.822 -7.779 -7.210 1.00 0.00 O ATOM 1726 CB ALA A 110 7.666 -10.617 -5.723 1.00 0.00 C ATOM 0 H ALA A 110 9.624 -9.707 -4.547 1.00 0.00 H new ATOM 0 HA ALA A 110 8.713 -9.433 -7.164 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.827 -10.831 -6.385 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.389 -11.431 -5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.304 -10.522 -4.699 1.00 0.00 H new ATOM 1732 N TRP A 111 7.008 -7.662 -4.971 1.00 0.00 N ATOM 1733 CA TRP A 111 6.051 -6.569 -4.840 1.00 0.00 C ATOM 1734 C TRP A 111 6.516 -5.341 -5.615 1.00 0.00 C ATOM 1735 O TRP A 111 5.736 -4.721 -6.338 1.00 0.00 O ATOM 1736 CB TRP A 111 5.852 -6.212 -3.365 1.00 0.00 C ATOM 1737 CG TRP A 111 4.743 -6.980 -2.712 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.867 -7.931 -1.740 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.343 -6.864 -2.987 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.627 -8.412 -1.393 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.676 -7.773 -2.143 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.588 -6.079 -3.862 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.291 -7.918 -2.151 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.213 -6.224 -3.870 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.576 -7.137 -3.018 1.00 0.00 C ATOM 0 H TRP A 111 7.407 -7.982 -4.088 1.00 0.00 H new ATOM 0 HA TRP A 111 5.100 -6.900 -5.258 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.780 -6.399 -2.825 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.644 -5.145 -3.282 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.801 -8.257 -1.308 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.445 -9.129 -0.691 1.00 0.00 H new ATOM 0 HE3 TRP A 111 3.070 -5.371 -4.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.799 -8.622 -1.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.620 -5.624 -4.544 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.500 -7.226 -3.046 1.00 0.00 H new ATOM 1756 N ILE A 112 7.789 -4.996 -5.458 1.00 0.00 N ATOM 1757 CA ILE A 112 8.357 -3.842 -6.145 1.00 0.00 C ATOM 1758 C ILE A 112 8.217 -3.979 -7.658 1.00 0.00 C ATOM 1759 O ILE A 112 8.033 -2.990 -8.365 1.00 0.00 O ATOM 1760 CB ILE A 112 9.845 -3.654 -5.794 1.00 0.00 C ATOM 1761 CG1 ILE A 112 9.997 -3.249 -4.326 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.477 -2.612 -6.705 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.426 -3.296 -3.832 1.00 0.00 C ATOM 0 H ILE A 112 8.447 -5.498 -4.862 1.00 0.00 H new ATOM 0 HA ILE A 112 7.799 -2.968 -5.808 1.00 0.00 H new ATOM 0 HB ILE A 112 10.362 -4.602 -5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.608 -2.239 -4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.386 -3.909 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.528 -2.491 -6.444 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.395 -2.938 -7.742 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.960 -1.660 -6.582 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.459 -2.997 -2.784 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.812 -4.310 -3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.038 -2.615 -4.423 1.00 0.00 H new ATOM 1775 N GLN A 113 8.304 -5.213 -8.145 1.00 0.00 N ATOM 1776 CA GLN A 113 8.185 -5.479 -9.574 1.00 0.00 C ATOM 1777 C GLN A 113 6.847 -4.984 -10.111 1.00 0.00 C ATOM 1778 O GLN A 113 6.783 -4.368 -11.174 1.00 0.00 O ATOM 1779 CB GLN A 113 8.337 -6.976 -9.849 1.00 0.00 C ATOM 1780 CG GLN A 113 9.673 -7.545 -9.401 1.00 0.00 C ATOM 1781 CD GLN A 113 10.094 -8.755 -10.212 1.00 0.00 C ATOM 1782 OE1 GLN A 113 9.460 -9.809 -10.151 1.00 0.00 O ATOM 1783 NE2 GLN A 113 11.168 -8.609 -10.979 1.00 0.00 N ATOM 0 H GLN A 113 8.456 -6.043 -7.572 1.00 0.00 H new ATOM 0 HA GLN A 113 8.982 -4.940 -10.086 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.535 -7.513 -9.343 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.215 -7.155 -10.917 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.438 -6.773 -9.483 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.611 -7.822 -8.348 1.00 0.00 H new ATOM 0 HE21 GLN A 113 11.663 -7.717 -10.999 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.498 -9.388 -11.548 1.00 0.00 H new ATOM 1792 N ALA A 114 5.779 -5.257 -9.368 1.00 0.00 N ATOM 1793 CA ALA A 114 4.442 -4.838 -9.768 1.00 0.00 C ATOM 1794 C ALA A 114 4.176 -3.391 -9.366 1.00 0.00 C ATOM 1795 O ALA A 114 3.783 -2.569 -10.193 1.00 0.00 O ATOM 1796 CB ALA A 114 3.395 -5.758 -9.158 1.00 0.00 C ATOM 0 H ALA A 114 5.814 -5.767 -8.485 1.00 0.00 H new ATOM 0 HA ALA A 114 4.378 -4.903 -10.854 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.401 -5.433 -9.466 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.564 -6.779 -9.500 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.468 -5.722 -8.071 1.00 0.00 H new ATOM 1802 N MET A 115 4.392 -3.088 -8.090 1.00 0.00 N ATOM 1803 CA MET A 115 4.176 -1.740 -7.578 1.00 0.00 C ATOM 1804 C MET A 115 5.121 -0.747 -8.247 1.00 0.00 C ATOM 1805 O MET A 115 4.683 0.231 -8.852 1.00 0.00 O ATOM 1806 CB MET A 115 4.376 -1.709 -6.062 1.00 0.00 C ATOM 1807 CG MET A 115 3.201 -2.277 -5.282 1.00 0.00 C ATOM 1808 SD MET A 115 3.058 -1.572 -3.629 1.00 0.00 S ATOM 1809 CE MET A 115 2.814 -3.052 -2.650 1.00 0.00 C ATOM 0 H MET A 115 4.716 -3.758 -7.392 1.00 0.00 H new ATOM 0 HA MET A 115 3.150 -1.451 -7.808 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.275 -2.272 -5.811 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.547 -0.679 -5.747 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.280 -2.090 -5.833 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.311 -3.359 -5.203 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.762 -2.785 -1.594 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.884 -3.537 -2.948 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.647 -3.736 -2.811 1.00 0.00 H new ATOM 1819 N GLY A 116 6.421 -1.004 -8.134 1.00 0.00 N ATOM 1820 CA GLY A 116 7.406 -0.123 -8.732 1.00 0.00 C ATOM 1821 C GLY A 116 7.081 0.217 -10.173 1.00 0.00 C ATOM 1822 O GLY A 116 7.084 1.387 -10.557 1.00 0.00 O ATOM 0 H GLY A 116 6.809 -1.807 -7.639 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.467 0.797 -8.150 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.387 -0.596 -8.686 1.00 0.00 H new ATOM 1826 N GLU A 117 6.801 -0.807 -10.973 1.00 0.00 N ATOM 1827 CA GLU A 117 6.475 -0.610 -12.380 1.00 0.00 C ATOM 1828 C GLU A 117 5.137 0.108 -12.533 1.00 0.00 C ATOM 1829 O GLU A 117 5.055 1.165 -13.159 1.00 0.00 O ATOM 1830 CB GLU A 117 6.431 -1.954 -13.110 1.00 0.00 C ATOM 1831 CG GLU A 117 7.782 -2.402 -13.642 1.00 0.00 C ATOM 1832 CD GLU A 117 8.045 -1.911 -15.053 1.00 0.00 C ATOM 1833 OE1 GLU A 117 8.360 -0.714 -15.216 1.00 0.00 O ATOM 1834 OE2 GLU A 117 7.935 -2.726 -15.993 1.00 0.00 O ATOM 0 H GLU A 117 6.793 -1.781 -10.671 1.00 0.00 H new ATOM 0 HA GLU A 117 7.254 0.010 -12.823 1.00 0.00 H new ATOM 0 HB2 GLU A 117 6.047 -2.715 -12.430 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.728 -1.884 -13.940 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.568 -2.036 -12.981 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.832 -3.491 -13.625 1.00 0.00 H new ATOM 1841 N ALA A 118 4.090 -0.474 -11.957 1.00 0.00 N ATOM 1842 CA ALA A 118 2.757 0.110 -12.027 1.00 0.00 C ATOM 1843 C ALA A 118 2.780 1.582 -11.631 1.00 0.00 C ATOM 1844 O ALA A 118 1.913 2.357 -12.034 1.00 0.00 O ATOM 1845 CB ALA A 118 1.795 -0.663 -11.136 1.00 0.00 C ATOM 0 H ALA A 118 4.140 -1.350 -11.437 1.00 0.00 H new ATOM 0 HA ALA A 118 2.413 0.044 -13.059 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.803 -0.216 -11.198 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.747 -1.701 -11.467 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.146 -0.627 -10.105 1.00 0.00 H new ATOM 1851 N ALA A 119 3.778 1.961 -10.839 1.00 0.00 N ATOM 1852 CA ALA A 119 3.915 3.341 -10.389 1.00 0.00 C ATOM 1853 C ALA A 119 4.391 4.243 -11.523 1.00 0.00 C ATOM 1854 O ALA A 119 3.812 5.300 -11.774 1.00 0.00 O ATOM 1855 CB ALA A 119 4.874 3.420 -9.211 1.00 0.00 C ATOM 0 H ALA A 119 4.504 1.332 -10.496 1.00 0.00 H new ATOM 0 HA ALA A 119 2.934 3.691 -10.068 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.966 4.456 -8.886 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.492 2.815 -8.389 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.852 3.046 -9.513 1.00 0.00 H new ATOM 1861 N ARG A 120 5.451 3.819 -12.204 1.00 0.00 N ATOM 1862 CA ARG A 120 6.006 4.590 -13.310 1.00 0.00 C ATOM 1863 C ARG A 120 4.896 5.231 -14.138 1.00 0.00 C ATOM 1864 O ARG A 120 3.827 4.648 -14.318 1.00 0.00 O ATOM 1865 CB ARG A 120 6.869 3.694 -14.201 1.00 0.00 C ATOM 1866 CG ARG A 120 8.317 3.598 -13.748 1.00 0.00 C ATOM 1867 CD ARG A 120 8.930 2.258 -14.122 1.00 0.00 C ATOM 1868 NE ARG A 120 10.089 1.936 -13.294 1.00 0.00 N ATOM 1869 CZ ARG A 120 11.302 2.437 -13.501 1.00 0.00 C ATOM 1870 NH1 ARG A 120 11.513 3.279 -14.503 1.00 0.00 N ATOM 1871 NH2 ARG A 120 12.307 2.096 -12.704 1.00 0.00 N ATOM 0 H ARG A 120 5.942 2.946 -12.009 1.00 0.00 H new ATOM 0 HA ARG A 120 6.627 5.382 -12.892 1.00 0.00 H new ATOM 0 HB2 ARG A 120 6.437 2.694 -14.223 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.841 4.076 -15.222 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.895 4.403 -14.201 1.00 0.00 H new ATOM 0 HG3 ARG A 120 8.371 3.735 -12.668 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.180 1.474 -14.016 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.227 2.275 -15.171 1.00 0.00 H new ATOM 0 HE ARG A 120 9.960 1.291 -12.514 1.00 0.00 H new ATOM 0 HH11 ARG A 120 10.743 3.544 -15.117 1.00 0.00 H new ATOM 0 HH12 ARG A 120 12.445 3.662 -14.660 1.00 0.00 H new ATOM 0 HH21 ARG A 120 12.148 1.449 -11.932 1.00 0.00 H new ATOM 0 HH22 ARG A 120 13.238 2.481 -12.864 1.00 0.00 H new