USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=20 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 60:sc= -0.74 USER MOD Set 1.2: A 101 SER OG : rot 93:sc= -0.134 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= -1.96 K(o=-2,f=-10!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00434 USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= -1.29 (180deg=-1.39) USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= -0.182 (180deg=-0.843) USER MOD Single : A 31 GLN : amide:sc= -0.0357 X(o=-0.036,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ -131:sc= 1.23 (180deg=-0.113) USER MOD Single : A 50 CYS SG : rot 60:sc= 1.17 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= 0.0948 (180deg=0.0602) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.00181 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0153 K(o=-0.015,f=-0.84) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -0.0215 X(o=-0.022,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= -3.04! C(o=-3!,f=-3.1!) USER MOD Single : A 89 LYS NZ :NH3+ -118:sc= -3.08! (180deg=-4.32!) USER MOD Single : A 92 HIS : no HD1:sc= -9.44! C(o=-9.4!,f=-10!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.558 USER MOD Single : A 98 TYR OH : rot 180:sc= -1.91! USER MOD Single : A 104 SER OG : rot 180:sc= -1.21 USER MOD Single : A 108 GLN : amide:sc= -0.925 K(o=-0.93,f=-3.7!) USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 MET CE :methyl -168:sc= -0.494 (180deg=-0.971) USER MOD ----------------------------------------------------------------- ATOM 176 N LYS A 15 -11.875 3.586 -6.114 1.00 0.00 N ATOM 177 CA LYS A 15 -12.566 2.319 -5.910 1.00 0.00 C ATOM 178 C LYS A 15 -11.996 1.235 -6.819 1.00 0.00 C ATOM 179 O LYS A 15 -11.600 1.507 -7.953 1.00 0.00 O ATOM 180 CB LYS A 15 -14.065 2.484 -6.174 1.00 0.00 C ATOM 181 CG LYS A 15 -14.814 3.148 -5.032 1.00 0.00 C ATOM 182 CD LYS A 15 -16.303 2.853 -5.095 1.00 0.00 C ATOM 183 CE LYS A 15 -17.106 3.859 -4.285 1.00 0.00 C ATOM 184 NZ LYS A 15 -16.905 3.678 -2.820 1.00 0.00 N ATOM 0 HA LYS A 15 -12.416 2.015 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.203 3.074 -7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.502 1.504 -6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.413 2.798 -4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.654 4.226 -5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.635 2.872 -6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.492 1.848 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.814 4.870 -4.569 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.165 3.754 -4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.469 4.382 -2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.207 2.722 -2.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -15.899 3.803 -2.590 1.00 0.00 H new ATOM 198 N ARG A 16 -11.958 0.006 -6.315 1.00 0.00 N ATOM 199 CA ARG A 16 -11.436 -1.119 -7.082 1.00 0.00 C ATOM 200 C ARG A 16 -12.568 -1.895 -7.747 1.00 0.00 C ATOM 201 O ARG A 16 -13.460 -2.410 -7.074 1.00 0.00 O ATOM 202 CB ARG A 16 -10.627 -2.050 -6.176 1.00 0.00 C ATOM 203 CG ARG A 16 -10.089 -3.279 -6.891 1.00 0.00 C ATOM 204 CD ARG A 16 -9.967 -4.464 -5.946 1.00 0.00 C ATOM 205 NE ARG A 16 -10.123 -5.738 -6.644 1.00 0.00 N ATOM 206 CZ ARG A 16 -11.300 -6.296 -6.900 1.00 0.00 C ATOM 207 NH1 ARG A 16 -12.420 -5.695 -6.520 1.00 0.00 N ATOM 208 NH2 ARG A 16 -11.360 -7.457 -7.540 1.00 0.00 N ATOM 0 H ARG A 16 -12.282 -0.236 -5.379 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.783 -0.724 -7.861 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.792 -1.493 -5.750 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.255 -2.370 -5.344 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.750 -3.538 -7.718 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.113 -3.053 -7.321 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.995 -4.437 -5.454 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.722 -4.384 -5.164 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.281 -6.225 -6.951 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.378 -4.802 -6.030 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.323 -6.126 -6.718 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -10.501 -7.921 -7.836 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.265 -7.885 -7.736 1.00 0.00 H new ATOM 222 N ASN A 17 -12.525 -1.975 -9.073 1.00 0.00 N ATOM 223 CA ASN A 17 -13.548 -2.688 -9.829 1.00 0.00 C ATOM 224 C ASN A 17 -13.322 -4.195 -9.763 1.00 0.00 C ATOM 225 O ASN A 17 -12.190 -4.679 -9.768 1.00 0.00 O ATOM 226 CB ASN A 17 -13.549 -2.225 -11.288 1.00 0.00 C ATOM 227 CG ASN A 17 -14.164 -0.849 -11.457 1.00 0.00 C ATOM 228 OD1 ASN A 17 -15.366 -0.666 -11.265 1.00 0.00 O ATOM 229 ND2 ASN A 17 -13.339 0.127 -11.819 1.00 0.00 N ATOM 0 H ASN A 17 -11.793 -1.555 -9.646 1.00 0.00 H new ATOM 0 HA ASN A 17 -14.517 -2.464 -9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -12.526 -2.211 -11.663 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -14.101 -2.944 -11.894 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.695 1.074 -11.949 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.349 -0.070 -11.967 1.00 0.00 H new ATOM 236 N PRO A 18 -14.425 -4.956 -9.699 1.00 0.00 N ATOM 237 CA PRO A 18 -14.374 -6.420 -9.632 1.00 0.00 C ATOM 238 C PRO A 18 -13.899 -7.044 -10.939 1.00 0.00 C ATOM 239 O PRO A 18 -13.176 -8.040 -10.936 1.00 0.00 O ATOM 240 CB PRO A 18 -15.826 -6.813 -9.347 1.00 0.00 C ATOM 241 CG PRO A 18 -16.636 -5.685 -9.887 1.00 0.00 C ATOM 242 CD PRO A 18 -15.807 -4.447 -9.689 1.00 0.00 C ATOM 0 HA PRO A 18 -13.668 -6.769 -8.878 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -16.084 -7.754 -9.833 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.997 -6.948 -8.279 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -16.863 -5.838 -10.942 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.589 -5.604 -9.364 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -15.973 -3.721 -10.484 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -16.045 -3.950 -8.749 1.00 0.00 H new ATOM 250 N ASN A 19 -14.311 -6.453 -12.056 1.00 0.00 N ATOM 251 CA ASN A 19 -13.928 -6.952 -13.372 1.00 0.00 C ATOM 252 C ASN A 19 -12.418 -6.863 -13.568 1.00 0.00 C ATOM 253 O ASN A 19 -11.802 -7.763 -14.138 1.00 0.00 O ATOM 254 CB ASN A 19 -14.644 -6.161 -14.468 1.00 0.00 C ATOM 255 CG ASN A 19 -14.757 -4.686 -14.137 1.00 0.00 C ATOM 256 OD1 ASN A 19 -13.777 -4.047 -13.752 1.00 0.00 O ATOM 257 ND2 ASN A 19 -15.957 -4.136 -14.286 1.00 0.00 N ATOM 0 H ASN A 19 -14.910 -5.628 -12.076 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.224 -7.999 -13.437 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.105 -6.279 -15.408 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -15.641 -6.574 -14.618 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -16.094 -3.147 -14.079 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -16.742 -4.703 -14.608 1.00 0.00 H new ATOM 264 N ALA A 20 -11.828 -5.771 -13.092 1.00 0.00 N ATOM 265 CA ALA A 20 -10.390 -5.566 -13.213 1.00 0.00 C ATOM 266 C ALA A 20 -9.616 -6.730 -12.604 1.00 0.00 C ATOM 267 O ALA A 20 -9.858 -7.142 -11.469 1.00 0.00 O ATOM 268 CB ALA A 20 -9.986 -4.257 -12.550 1.00 0.00 C ATOM 0 H ALA A 20 -12.324 -5.015 -12.619 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.143 -5.515 -14.274 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.910 -4.117 -12.648 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.505 -3.429 -13.033 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.254 -4.286 -11.494 1.00 0.00 H new ATOM 274 N PRO A 21 -8.661 -7.274 -13.373 1.00 0.00 N ATOM 275 CA PRO A 21 -7.833 -8.399 -12.930 1.00 0.00 C ATOM 276 C PRO A 21 -6.855 -8.000 -11.830 1.00 0.00 C ATOM 277 O PRO A 21 -6.152 -6.996 -11.944 1.00 0.00 O ATOM 278 CB PRO A 21 -7.076 -8.804 -14.197 1.00 0.00 C ATOM 279 CG PRO A 21 -7.038 -7.567 -15.027 1.00 0.00 C ATOM 280 CD PRO A 21 -8.318 -6.834 -14.736 1.00 0.00 C ATOM 0 HA PRO A 21 -8.432 -9.202 -12.501 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.071 -9.155 -13.963 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.583 -9.616 -14.719 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.172 -6.955 -14.776 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.960 -7.810 -16.087 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.183 -5.754 -14.787 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.100 -7.092 -15.450 1.00 0.00 H new ATOM 288 N VAL A 22 -6.814 -8.794 -10.764 1.00 0.00 N ATOM 289 CA VAL A 22 -5.921 -8.524 -9.643 1.00 0.00 C ATOM 290 C VAL A 22 -4.461 -8.668 -10.057 1.00 0.00 C ATOM 291 O VAL A 22 -4.016 -9.750 -10.442 1.00 0.00 O ATOM 292 CB VAL A 22 -6.204 -9.469 -8.460 1.00 0.00 C ATOM 293 CG1 VAL A 22 -6.138 -10.921 -8.909 1.00 0.00 C ATOM 294 CG2 VAL A 22 -5.225 -9.208 -7.325 1.00 0.00 C ATOM 0 H VAL A 22 -7.389 -9.629 -10.653 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.107 -7.497 -9.330 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.211 -9.273 -8.093 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.340 -11.574 -8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.882 -11.096 -9.687 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.144 -11.135 -9.303 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.439 -9.884 -6.497 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.207 -9.376 -7.677 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.327 -8.177 -6.987 1.00 0.00 H new ATOM 304 N THR A 23 -3.717 -7.569 -9.976 1.00 0.00 N ATOM 305 CA THR A 23 -2.307 -7.572 -10.343 1.00 0.00 C ATOM 306 C THR A 23 -1.492 -8.438 -9.389 1.00 0.00 C ATOM 307 O THR A 23 -0.912 -9.447 -9.791 1.00 0.00 O ATOM 308 CB THR A 23 -1.724 -6.146 -10.348 1.00 0.00 C ATOM 309 OG1 THR A 23 -2.710 -5.216 -10.811 1.00 0.00 O ATOM 310 CG2 THR A 23 -0.491 -6.068 -11.235 1.00 0.00 C ATOM 0 H THR A 23 -4.068 -6.665 -9.659 1.00 0.00 H new ATOM 0 HA THR A 23 -2.244 -7.986 -11.349 1.00 0.00 H new ATOM 0 HB THR A 23 -1.435 -5.892 -9.328 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.333 -4.312 -10.810 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.097 -5.052 -11.222 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.269 -6.756 -10.864 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.759 -6.341 -12.256 1.00 0.00 H new ATOM 318 N LYS A 24 -1.453 -8.038 -8.122 1.00 0.00 N ATOM 319 CA LYS A 24 -0.711 -8.779 -7.109 1.00 0.00 C ATOM 320 C LYS A 24 -1.351 -8.610 -5.734 1.00 0.00 C ATOM 321 O LYS A 24 -1.690 -7.498 -5.329 1.00 0.00 O ATOM 322 CB LYS A 24 0.744 -8.307 -7.066 1.00 0.00 C ATOM 323 CG LYS A 24 1.698 -9.332 -6.478 1.00 0.00 C ATOM 324 CD LYS A 24 3.016 -8.696 -6.066 1.00 0.00 C ATOM 325 CE LYS A 24 3.914 -9.689 -5.346 1.00 0.00 C ATOM 326 NZ LYS A 24 4.318 -10.816 -6.231 1.00 0.00 N ATOM 0 H LYS A 24 -1.927 -7.205 -7.773 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.737 -9.835 -7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.067 -8.060 -8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.803 -7.390 -6.480 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.236 -9.806 -5.612 1.00 0.00 H new ATOM 0 HG3 LYS A 24 1.885 -10.118 -7.210 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.529 -8.314 -6.949 1.00 0.00 H new ATOM 0 HD3 LYS A 24 2.822 -7.842 -5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.804 -9.176 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 24 3.394 -10.082 -4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.996 -11.425 -5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.478 -11.373 -6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.762 -10.439 -7.093 1.00 0.00 H new ATOM 340 N ALA A 25 -1.513 -9.720 -5.022 1.00 0.00 N ATOM 341 CA ALA A 25 -2.109 -9.694 -3.692 1.00 0.00 C ATOM 342 C ALA A 25 -1.246 -10.452 -2.689 1.00 0.00 C ATOM 343 O ALA A 25 -0.595 -11.437 -3.035 1.00 0.00 O ATOM 344 CB ALA A 25 -3.513 -10.278 -3.731 1.00 0.00 C ATOM 0 H ALA A 25 -1.240 -10.649 -5.344 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.169 -8.655 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.946 -10.252 -2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.132 -9.691 -4.410 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.468 -11.309 -4.080 1.00 0.00 H new ATOM 350 N GLY A 26 -1.246 -9.986 -1.443 1.00 0.00 N ATOM 351 CA GLY A 26 -0.459 -10.632 -0.409 1.00 0.00 C ATOM 352 C GLY A 26 -0.532 -9.902 0.917 1.00 0.00 C ATOM 353 O GLY A 26 -0.836 -8.710 0.960 1.00 0.00 O ATOM 0 H GLY A 26 -1.777 -9.173 -1.132 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.809 -11.656 -0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.581 -10.690 -0.731 1.00 0.00 H new ATOM 357 N TRP A 27 -0.255 -10.617 2.000 1.00 0.00 N ATOM 358 CA TRP A 27 -0.292 -10.029 3.335 1.00 0.00 C ATOM 359 C TRP A 27 0.942 -9.170 3.586 1.00 0.00 C ATOM 360 O TRP A 27 2.060 -9.681 3.668 1.00 0.00 O ATOM 361 CB TRP A 27 -0.390 -11.127 4.396 1.00 0.00 C ATOM 362 CG TRP A 27 -1.735 -11.785 4.448 1.00 0.00 C ATOM 363 CD1 TRP A 27 -2.102 -12.950 3.836 1.00 0.00 C ATOM 364 CD2 TRP A 27 -2.892 -11.315 5.148 1.00 0.00 C ATOM 365 NE1 TRP A 27 -3.418 -13.232 4.114 1.00 0.00 N ATOM 366 CE2 TRP A 27 -3.925 -12.245 4.917 1.00 0.00 C ATOM 367 CE3 TRP A 27 -3.156 -10.201 5.949 1.00 0.00 C ATOM 368 CZ2 TRP A 27 -5.198 -12.092 5.458 1.00 0.00 C ATOM 369 CZ3 TRP A 27 -4.421 -10.050 6.484 1.00 0.00 C ATOM 370 CH2 TRP A 27 -5.429 -10.992 6.238 1.00 0.00 C ATOM 0 H TRP A 27 -0.002 -11.605 1.981 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.174 -9.392 3.400 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.369 -11.883 4.197 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -0.165 -10.699 5.373 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -1.454 -13.559 3.224 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -3.934 -14.045 3.777 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -2.385 -9.471 6.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -5.976 -12.816 5.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.637 -9.191 7.102 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.407 -10.847 6.673 1.00 0.00 H new ATOM 381 N LEU A 28 0.734 -7.864 3.708 1.00 0.00 N ATOM 382 CA LEU A 28 1.831 -6.934 3.950 1.00 0.00 C ATOM 383 C LEU A 28 1.627 -6.181 5.262 1.00 0.00 C ATOM 384 O LEU A 28 0.563 -6.261 5.876 1.00 0.00 O ATOM 385 CB LEU A 28 1.949 -5.941 2.793 1.00 0.00 C ATOM 386 CG LEU A 28 2.669 -6.449 1.543 1.00 0.00 C ATOM 387 CD1 LEU A 28 2.261 -5.637 0.324 1.00 0.00 C ATOM 388 CD2 LEU A 28 4.178 -6.397 1.740 1.00 0.00 C ATOM 0 H LEU A 28 -0.184 -7.425 3.643 1.00 0.00 H new ATOM 0 HA LEU A 28 2.754 -7.510 4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.945 -5.626 2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.471 -5.054 3.153 1.00 0.00 H new ATOM 0 HG LEU A 28 2.379 -7.486 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.784 -6.013 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.185 -5.725 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.521 -4.590 0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.675 -6.762 0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.485 -5.369 1.932 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.456 -7.023 2.588 1.00 0.00 H new ATOM 400 N PHE A 29 2.653 -5.450 5.684 1.00 0.00 N ATOM 401 CA PHE A 29 2.586 -4.682 6.922 1.00 0.00 C ATOM 402 C PHE A 29 2.742 -3.190 6.645 1.00 0.00 C ATOM 403 O PHE A 29 3.799 -2.734 6.206 1.00 0.00 O ATOM 404 CB PHE A 29 3.672 -5.148 7.895 1.00 0.00 C ATOM 405 CG PHE A 29 3.498 -6.568 8.351 1.00 0.00 C ATOM 406 CD1 PHE A 29 3.510 -7.610 7.438 1.00 0.00 C ATOM 407 CD2 PHE A 29 3.322 -6.861 9.694 1.00 0.00 C ATOM 408 CE1 PHE A 29 3.351 -8.918 7.855 1.00 0.00 C ATOM 409 CE2 PHE A 29 3.163 -8.167 10.117 1.00 0.00 C ATOM 410 CZ PHE A 29 3.176 -9.197 9.196 1.00 0.00 C ATOM 0 H PHE A 29 3.541 -5.373 5.187 1.00 0.00 H new ATOM 0 HA PHE A 29 1.608 -4.850 7.372 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.646 -5.045 7.416 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.674 -4.493 8.766 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.645 -7.398 6.388 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.309 -6.060 10.418 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.364 -9.721 7.133 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.029 -8.382 11.167 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.050 -10.218 9.524 1.00 0.00 H new ATOM 420 N LYS A 30 1.682 -2.432 6.904 1.00 0.00 N ATOM 421 CA LYS A 30 1.698 -0.991 6.684 1.00 0.00 C ATOM 422 C LYS A 30 2.130 -0.253 7.947 1.00 0.00 C ATOM 423 O LYS A 30 1.533 -0.423 9.010 1.00 0.00 O ATOM 424 CB LYS A 30 0.315 -0.506 6.245 1.00 0.00 C ATOM 425 CG LYS A 30 0.338 0.839 5.539 1.00 0.00 C ATOM 426 CD LYS A 30 -0.969 1.111 4.813 1.00 0.00 C ATOM 427 CE LYS A 30 -1.125 2.586 4.479 1.00 0.00 C ATOM 428 NZ LYS A 30 -1.131 3.435 5.702 1.00 0.00 N ATOM 0 H LYS A 30 0.800 -2.793 7.267 1.00 0.00 H new ATOM 0 HA LYS A 30 2.419 -0.777 5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.127 -1.248 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.331 -0.437 7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.522 1.630 6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.163 0.863 4.827 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.006 0.523 3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.805 0.787 5.433 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.311 2.898 3.825 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.053 2.737 3.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.597 4.341 5.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.648 2.947 6.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.153 3.611 6.007 1.00 0.00 H new ATOM 442 N GLN A 31 3.169 0.567 7.822 1.00 0.00 N ATOM 443 CA GLN A 31 3.679 1.331 8.954 1.00 0.00 C ATOM 444 C GLN A 31 2.593 2.228 9.539 1.00 0.00 C ATOM 445 O GLN A 31 1.651 2.611 8.846 1.00 0.00 O ATOM 446 CB GLN A 31 4.879 2.176 8.527 1.00 0.00 C ATOM 447 CG GLN A 31 5.868 2.441 9.650 1.00 0.00 C ATOM 448 CD GLN A 31 6.817 3.581 9.337 1.00 0.00 C ATOM 449 OE1 GLN A 31 6.518 4.745 9.606 1.00 0.00 O ATOM 450 NE2 GLN A 31 7.969 3.253 8.763 1.00 0.00 N ATOM 0 H GLN A 31 3.673 0.719 6.949 1.00 0.00 H new ATOM 0 HA GLN A 31 3.995 0.626 9.723 1.00 0.00 H new ATOM 0 HB2 GLN A 31 5.396 1.671 7.711 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.521 3.129 8.137 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.320 2.670 10.564 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.444 1.536 9.842 1.00 0.00 H new ATOM 0 HE21 GLN A 31 8.176 2.276 8.558 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.646 3.978 8.528 1.00 0.00 H new ATOM 459 N ALA A 32 2.731 2.559 10.819 1.00 0.00 N ATOM 460 CA ALA A 32 1.763 3.412 11.496 1.00 0.00 C ATOM 461 C ALA A 32 2.101 4.887 11.304 1.00 0.00 C ATOM 462 O ALA A 32 2.087 5.665 12.258 1.00 0.00 O ATOM 463 CB ALA A 32 1.704 3.070 12.978 1.00 0.00 C ATOM 0 H ALA A 32 3.504 2.249 11.408 1.00 0.00 H new ATOM 0 HA ALA A 32 0.784 3.231 11.053 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.977 3.715 13.472 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.407 2.028 13.099 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.686 3.222 13.426 1.00 0.00 H new ATOM 536 N GLN A 38 4.676 1.784 14.953 1.00 0.00 N ATOM 537 CA GLN A 38 4.343 0.365 14.912 1.00 0.00 C ATOM 538 C GLN A 38 4.013 -0.075 13.489 1.00 0.00 C ATOM 539 O GLN A 38 4.090 0.717 12.550 1.00 0.00 O ATOM 540 CB GLN A 38 3.161 0.069 15.837 1.00 0.00 C ATOM 541 CG GLN A 38 1.807 0.299 15.186 1.00 0.00 C ATOM 542 CD GLN A 38 0.657 -0.199 16.039 1.00 0.00 C ATOM 543 OE1 GLN A 38 0.714 -1.295 16.599 1.00 0.00 O ATOM 544 NE2 GLN A 38 -0.395 0.604 16.142 1.00 0.00 N ATOM 0 HA GLN A 38 5.212 -0.196 15.255 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.223 -0.966 16.172 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.239 0.696 16.725 1.00 0.00 H new ATOM 0 HG2 GLN A 38 1.677 1.364 14.994 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.782 -0.205 14.220 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.399 1.503 15.661 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.199 0.322 16.702 1.00 0.00 H new ATOM 553 N TRP A 39 3.647 -1.343 13.338 1.00 0.00 N ATOM 554 CA TRP A 39 3.306 -1.888 12.029 1.00 0.00 C ATOM 555 C TRP A 39 1.997 -2.668 12.088 1.00 0.00 C ATOM 556 O TRP A 39 1.770 -3.449 13.011 1.00 0.00 O ATOM 557 CB TRP A 39 4.430 -2.793 11.522 1.00 0.00 C ATOM 558 CG TRP A 39 5.677 -2.045 11.160 1.00 0.00 C ATOM 559 CD1 TRP A 39 6.666 -1.641 12.011 1.00 0.00 C ATOM 560 CD2 TRP A 39 6.067 -1.609 9.853 1.00 0.00 C ATOM 561 NE1 TRP A 39 7.648 -0.981 11.312 1.00 0.00 N ATOM 562 CE2 TRP A 39 7.304 -0.949 9.986 1.00 0.00 C ATOM 563 CE3 TRP A 39 5.493 -1.715 8.584 1.00 0.00 C ATOM 564 CZ2 TRP A 39 7.973 -0.397 8.897 1.00 0.00 C ATOM 565 CZ3 TRP A 39 6.158 -1.166 7.504 1.00 0.00 C ATOM 566 CH2 TRP A 39 7.388 -0.514 7.666 1.00 0.00 C ATOM 0 H TRP A 39 3.579 -2.012 14.105 1.00 0.00 H new ATOM 0 HA TRP A 39 3.180 -1.055 11.338 1.00 0.00 H new ATOM 0 HB2 TRP A 39 4.667 -3.530 12.289 1.00 0.00 H new ATOM 0 HB3 TRP A 39 4.078 -3.343 10.649 1.00 0.00 H new ATOM 0 HD1 TRP A 39 6.675 -1.815 13.077 1.00 0.00 H new ATOM 0 HE1 TRP A 39 8.495 -0.580 11.715 1.00 0.00 H new ATOM 0 HE3 TRP A 39 4.546 -2.217 8.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 8.921 0.106 9.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 5.722 -1.241 6.519 1.00 0.00 H new ATOM 0 HH2 TRP A 39 7.884 -0.096 6.802 1.00 0.00 H new ATOM 577 N ASN A 40 1.138 -2.450 11.097 1.00 0.00 N ATOM 578 CA ASN A 40 -0.149 -3.133 11.038 1.00 0.00 C ATOM 579 C ASN A 40 -0.201 -4.096 9.855 1.00 0.00 C ATOM 580 O ASN A 40 0.019 -3.702 8.710 1.00 0.00 O ATOM 581 CB ASN A 40 -1.286 -2.115 10.931 1.00 0.00 C ATOM 582 CG ASN A 40 -1.556 -1.409 12.246 1.00 0.00 C ATOM 583 OD1 ASN A 40 -2.404 -1.837 13.030 1.00 0.00 O ATOM 584 ND2 ASN A 40 -0.836 -0.322 12.493 1.00 0.00 N ATOM 0 H ASN A 40 1.310 -1.806 10.325 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.269 -3.707 11.957 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.038 -1.376 10.169 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.193 -2.621 10.601 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.974 0.195 13.361 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.144 -0.004 11.815 1.00 0.00 H new ATOM 591 N LYS A 41 -0.492 -5.360 10.141 1.00 0.00 N ATOM 592 CA LYS A 41 -0.575 -6.380 9.102 1.00 0.00 C ATOM 593 C LYS A 41 -1.974 -6.428 8.496 1.00 0.00 C ATOM 594 O LYS A 41 -2.922 -6.884 9.135 1.00 0.00 O ATOM 595 CB LYS A 41 -0.209 -7.751 9.675 1.00 0.00 C ATOM 596 CG LYS A 41 -0.219 -8.864 8.642 1.00 0.00 C ATOM 597 CD LYS A 41 -0.130 -10.233 9.296 1.00 0.00 C ATOM 598 CE LYS A 41 -0.821 -11.297 8.457 1.00 0.00 C ATOM 599 NZ LYS A 41 -2.272 -11.399 8.777 1.00 0.00 N ATOM 0 H LYS A 41 -0.674 -5.703 11.084 1.00 0.00 H new ATOM 0 HA LYS A 41 0.133 -6.120 8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.782 -7.694 10.126 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.909 -8.001 10.473 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.131 -8.802 8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.618 -8.732 7.956 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.917 -10.503 9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.586 -10.195 10.285 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.698 -11.063 7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.343 -12.261 8.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.524 -12.396 8.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.477 -10.852 9.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.830 -11.021 7.985 1.00 0.00 H new ATOM 613 N ARG A 42 -2.095 -5.955 7.260 1.00 0.00 N ATOM 614 CA ARG A 42 -3.378 -5.944 6.568 1.00 0.00 C ATOM 615 C ARG A 42 -3.253 -6.568 5.182 1.00 0.00 C ATOM 616 O ARG A 42 -2.160 -6.647 4.622 1.00 0.00 O ATOM 617 CB ARG A 42 -3.905 -4.512 6.449 1.00 0.00 C ATOM 618 CG ARG A 42 -4.121 -3.830 7.790 1.00 0.00 C ATOM 619 CD ARG A 42 -5.454 -4.223 8.407 1.00 0.00 C ATOM 620 NE ARG A 42 -5.490 -3.963 9.844 1.00 0.00 N ATOM 621 CZ ARG A 42 -5.622 -2.750 10.368 1.00 0.00 C ATOM 622 NH1 ARG A 42 -5.731 -1.691 9.578 1.00 0.00 N ATOM 623 NH2 ARG A 42 -5.646 -2.594 11.686 1.00 0.00 N ATOM 0 H ARG A 42 -1.320 -5.574 6.717 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.083 -6.536 7.152 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.202 -3.923 5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.847 -4.525 5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.312 -4.097 8.470 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.084 -2.748 7.659 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.257 -3.670 7.918 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.639 -5.282 8.225 1.00 0.00 H new ATOM 0 HE ARG A 42 -5.409 -4.757 10.480 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.714 -1.807 8.565 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.832 -0.761 9.983 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.563 -3.406 12.297 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -5.747 -1.662 12.087 1.00 0.00 H new ATOM 637 N TRP A 43 -4.380 -7.010 4.635 1.00 0.00 N ATOM 638 CA TRP A 43 -4.396 -7.628 3.313 1.00 0.00 C ATOM 639 C TRP A 43 -4.211 -6.582 2.220 1.00 0.00 C ATOM 640 O TRP A 43 -5.027 -5.670 2.076 1.00 0.00 O ATOM 641 CB TRP A 43 -5.709 -8.383 3.097 1.00 0.00 C ATOM 642 CG TRP A 43 -5.756 -9.135 1.802 1.00 0.00 C ATOM 643 CD1 TRP A 43 -6.685 -9.003 0.810 1.00 0.00 C ATOM 644 CD2 TRP A 43 -4.834 -10.138 1.360 1.00 0.00 C ATOM 645 NE1 TRP A 43 -6.397 -9.863 -0.222 1.00 0.00 N ATOM 646 CE2 TRP A 43 -5.266 -10.569 0.090 1.00 0.00 C ATOM 647 CE3 TRP A 43 -3.686 -10.711 1.912 1.00 0.00 C ATOM 648 CZ2 TRP A 43 -4.589 -11.548 -0.633 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -3.015 -11.683 1.193 1.00 0.00 C ATOM 650 CH2 TRP A 43 -3.467 -12.092 -0.068 1.00 0.00 C ATOM 0 H TRP A 43 -5.293 -6.952 5.085 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.566 -8.333 3.259 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.857 -9.082 3.920 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.537 -7.674 3.127 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.523 -8.322 0.833 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.938 -9.960 -1.081 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.329 -10.400 2.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -4.937 -11.867 -1.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.127 -12.134 1.611 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.919 -12.852 -0.605 1.00 0.00 H new ATOM 661 N PHE A 44 -3.135 -6.717 1.453 1.00 0.00 N ATOM 662 CA PHE A 44 -2.843 -5.782 0.373 1.00 0.00 C ATOM 663 C PHE A 44 -3.242 -6.369 -0.978 1.00 0.00 C ATOM 664 O PHE A 44 -3.075 -7.564 -1.222 1.00 0.00 O ATOM 665 CB PHE A 44 -1.355 -5.425 0.367 1.00 0.00 C ATOM 666 CG PHE A 44 -1.013 -4.266 1.258 1.00 0.00 C ATOM 667 CD1 PHE A 44 -1.516 -4.194 2.547 1.00 0.00 C ATOM 668 CD2 PHE A 44 -0.189 -3.248 0.807 1.00 0.00 C ATOM 669 CE1 PHE A 44 -1.203 -3.127 3.369 1.00 0.00 C ATOM 670 CE2 PHE A 44 0.128 -2.179 1.624 1.00 0.00 C ATOM 671 CZ PHE A 44 -0.379 -2.119 2.907 1.00 0.00 C ATOM 0 H PHE A 44 -2.450 -7.465 1.559 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.426 -4.877 0.543 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.779 -6.296 0.680 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.050 -5.191 -0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -2.160 -4.980 2.914 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.211 -3.290 -0.195 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.602 -3.082 4.371 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.771 -1.392 1.259 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.132 -1.286 3.548 1.00 0.00 H new ATOM 681 N VAL A 45 -3.772 -5.520 -1.852 1.00 0.00 N ATOM 682 CA VAL A 45 -4.195 -5.953 -3.179 1.00 0.00 C ATOM 683 C VAL A 45 -3.903 -4.883 -4.225 1.00 0.00 C ATOM 684 O VAL A 45 -4.280 -3.722 -4.063 1.00 0.00 O ATOM 685 CB VAL A 45 -5.698 -6.287 -3.207 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.139 -6.647 -4.618 1.00 0.00 C ATOM 687 CG2 VAL A 45 -6.011 -7.416 -2.237 1.00 0.00 C ATOM 0 H VAL A 45 -3.919 -4.528 -1.665 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.626 -6.852 -3.415 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.255 -5.404 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.204 -6.880 -4.618 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.952 -5.805 -5.284 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.578 -7.515 -4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.077 -7.639 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.446 -8.305 -2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.734 -7.115 -1.227 1.00 0.00 H new ATOM 697 N LEU A 46 -3.231 -5.282 -5.299 1.00 0.00 N ATOM 698 CA LEU A 46 -2.889 -4.358 -6.374 1.00 0.00 C ATOM 699 C LEU A 46 -3.807 -4.556 -7.576 1.00 0.00 C ATOM 700 O LEU A 46 -3.773 -5.597 -8.232 1.00 0.00 O ATOM 701 CB LEU A 46 -1.431 -4.551 -6.795 1.00 0.00 C ATOM 702 CG LEU A 46 -0.859 -3.494 -7.740 1.00 0.00 C ATOM 703 CD1 LEU A 46 -0.846 -2.129 -7.068 1.00 0.00 C ATOM 704 CD2 LEU A 46 0.542 -3.882 -8.189 1.00 0.00 C ATOM 0 H LEU A 46 -2.912 -6.239 -5.448 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.022 -3.342 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.815 -4.577 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.338 -5.526 -7.274 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.499 -3.437 -8.621 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.436 -1.389 -7.755 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.863 -1.847 -6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.230 -2.171 -6.170 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.933 -3.118 -8.861 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.192 -3.967 -7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.505 -4.839 -8.710 1.00 0.00 H new ATOM 716 N VAL A 47 -4.627 -3.548 -7.861 1.00 0.00 N ATOM 717 CA VAL A 47 -5.552 -3.610 -8.985 1.00 0.00 C ATOM 718 C VAL A 47 -5.662 -2.258 -9.682 1.00 0.00 C ATOM 719 O VAL A 47 -5.763 -1.219 -9.030 1.00 0.00 O ATOM 720 CB VAL A 47 -6.955 -4.058 -8.534 1.00 0.00 C ATOM 721 CG1 VAL A 47 -7.993 -3.706 -9.589 1.00 0.00 C ATOM 722 CG2 VAL A 47 -6.968 -5.550 -8.239 1.00 0.00 C ATOM 0 H VAL A 47 -4.669 -2.679 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.151 -4.344 -9.684 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.210 -3.527 -7.617 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.978 -4.030 -9.253 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.000 -2.627 -9.747 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.746 -4.208 -10.524 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.967 -5.849 -7.922 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -6.692 -6.101 -9.138 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.254 -5.770 -7.445 1.00 0.00 H new ATOM 732 N ASP A 48 -5.642 -2.280 -11.010 1.00 0.00 N ATOM 733 CA ASP A 48 -5.740 -1.056 -11.796 1.00 0.00 C ATOM 734 C ASP A 48 -4.633 -0.076 -11.418 1.00 0.00 C ATOM 735 O ASP A 48 -4.900 1.077 -11.080 1.00 0.00 O ATOM 736 CB ASP A 48 -7.108 -0.402 -11.591 1.00 0.00 C ATOM 737 CG ASP A 48 -7.499 0.497 -12.748 1.00 0.00 C ATOM 738 OD1 ASP A 48 -7.016 0.257 -13.875 1.00 0.00 O ATOM 739 OD2 ASP A 48 -8.287 1.440 -12.527 1.00 0.00 O ATOM 0 H ASP A 48 -5.559 -3.132 -11.565 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.624 -1.319 -12.848 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.863 -1.178 -11.466 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.095 0.181 -10.670 1.00 0.00 H new ATOM 744 N ARG A 49 -3.391 -0.545 -11.478 1.00 0.00 N ATOM 745 CA ARG A 49 -2.243 0.289 -11.140 1.00 0.00 C ATOM 746 C ARG A 49 -2.490 1.054 -9.843 1.00 0.00 C ATOM 747 O ARG A 49 -1.957 2.147 -9.644 1.00 0.00 O ATOM 748 CB ARG A 49 -1.947 1.271 -12.275 1.00 0.00 C ATOM 749 CG ARG A 49 -1.153 0.659 -13.418 1.00 0.00 C ATOM 750 CD ARG A 49 -0.294 1.700 -14.119 1.00 0.00 C ATOM 751 NE ARG A 49 -0.037 1.348 -15.513 1.00 0.00 N ATOM 752 CZ ARG A 49 0.855 1.970 -16.276 1.00 0.00 C ATOM 753 NH1 ARG A 49 1.571 2.971 -15.782 1.00 0.00 N ATOM 754 NH2 ARG A 49 1.032 1.592 -17.535 1.00 0.00 N ATOM 0 H ARG A 49 -3.154 -1.497 -11.757 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.381 -0.363 -10.999 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.889 1.658 -12.664 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -1.395 2.121 -11.874 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -0.518 -0.140 -13.035 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.837 0.206 -14.136 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.791 2.669 -14.075 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.654 1.804 -13.591 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.572 0.582 -15.923 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.437 3.265 -14.814 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.255 3.447 -16.370 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.483 0.823 -17.919 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.717 2.071 -18.120 1.00 0.00 H new ATOM 768 N CYS A 50 -3.301 0.474 -8.965 1.00 0.00 N ATOM 769 CA CYS A 50 -3.619 1.101 -7.688 1.00 0.00 C ATOM 770 C CYS A 50 -3.492 0.101 -6.544 1.00 0.00 C ATOM 771 O CYS A 50 -3.646 -1.105 -6.739 1.00 0.00 O ATOM 772 CB CYS A 50 -5.035 1.680 -7.719 1.00 0.00 C ATOM 773 SG CYS A 50 -5.270 2.988 -8.945 1.00 0.00 S ATOM 0 H CYS A 50 -3.750 -0.430 -9.115 1.00 0.00 H new ATOM 0 HA CYS A 50 -2.907 1.909 -7.521 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.741 0.875 -7.922 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.277 2.074 -6.732 1.00 0.00 H new ATOM 0 HG CYS A 50 -5.021 2.520 -10.132 1.00 0.00 H new ATOM 779 N LEU A 51 -3.207 0.609 -5.350 1.00 0.00 N ATOM 780 CA LEU A 51 -3.056 -0.240 -4.173 1.00 0.00 C ATOM 781 C LEU A 51 -4.294 -0.165 -3.285 1.00 0.00 C ATOM 782 O LEU A 51 -4.777 0.922 -2.966 1.00 0.00 O ATOM 783 CB LEU A 51 -1.817 0.173 -3.377 1.00 0.00 C ATOM 784 CG LEU A 51 -1.154 -0.928 -2.548 1.00 0.00 C ATOM 785 CD1 LEU A 51 0.300 -0.581 -2.268 1.00 0.00 C ATOM 786 CD2 LEU A 51 -1.912 -1.147 -1.248 1.00 0.00 C ATOM 0 H LEU A 51 -3.076 1.605 -5.171 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.936 -1.269 -4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.078 0.571 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.095 0.987 -2.707 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.182 -1.855 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.756 -1.375 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.837 -0.476 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.350 0.357 -1.715 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.426 -1.934 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.917 -0.223 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.938 -1.441 -1.470 1.00 0.00 H new ATOM 798 N PHE A 52 -4.802 -1.326 -2.887 1.00 0.00 N ATOM 799 CA PHE A 52 -5.983 -1.392 -2.034 1.00 0.00 C ATOM 800 C PHE A 52 -5.769 -2.371 -0.883 1.00 0.00 C ATOM 801 O PHE A 52 -5.533 -3.559 -1.100 1.00 0.00 O ATOM 802 CB PHE A 52 -7.207 -1.810 -2.852 1.00 0.00 C ATOM 803 CG PHE A 52 -7.428 -0.964 -4.074 1.00 0.00 C ATOM 804 CD1 PHE A 52 -7.658 0.397 -3.957 1.00 0.00 C ATOM 805 CD2 PHE A 52 -7.408 -1.530 -5.338 1.00 0.00 C ATOM 806 CE1 PHE A 52 -7.862 1.179 -5.079 1.00 0.00 C ATOM 807 CE2 PHE A 52 -7.611 -0.754 -6.463 1.00 0.00 C ATOM 808 CZ PHE A 52 -7.839 0.602 -6.333 1.00 0.00 C ATOM 0 H PHE A 52 -4.414 -2.235 -3.141 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.155 -0.400 -1.617 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.093 -2.851 -3.156 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -8.093 -1.758 -2.219 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.678 0.853 -2.978 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.232 -2.590 -5.445 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.039 2.239 -4.975 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.591 -1.207 -7.443 1.00 0.00 H new ATOM 0 HZ PHE A 52 -7.999 1.210 -7.211 1.00 0.00 H new ATOM 818 N TYR A 53 -5.852 -1.862 0.341 1.00 0.00 N ATOM 819 CA TYR A 53 -5.665 -2.689 1.527 1.00 0.00 C ATOM 820 C TYR A 53 -6.989 -2.909 2.253 1.00 0.00 C ATOM 821 O TYR A 53 -7.660 -1.954 2.646 1.00 0.00 O ATOM 822 CB TYR A 53 -4.653 -2.039 2.473 1.00 0.00 C ATOM 823 CG TYR A 53 -5.254 -0.977 3.365 1.00 0.00 C ATOM 824 CD1 TYR A 53 -5.887 -1.317 4.554 1.00 0.00 C ATOM 825 CD2 TYR A 53 -5.190 0.367 3.018 1.00 0.00 C ATOM 826 CE1 TYR A 53 -6.438 -0.349 5.372 1.00 0.00 C ATOM 827 CE2 TYR A 53 -5.737 1.341 3.831 1.00 0.00 C ATOM 828 CZ TYR A 53 -6.360 0.978 5.006 1.00 0.00 C ATOM 829 OH TYR A 53 -6.907 1.946 5.818 1.00 0.00 O ATOM 0 H TYR A 53 -6.048 -0.880 0.538 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.283 -3.658 1.206 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.202 -2.812 3.095 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.850 -1.595 1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.950 -2.355 4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.705 0.655 2.097 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.927 -0.630 6.293 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -5.677 2.381 3.547 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.765 2.829 5.416 1.00 0.00 H new ATOM 839 N TYR A 54 -7.357 -4.173 2.428 1.00 0.00 N ATOM 840 CA TYR A 54 -8.601 -4.519 3.105 1.00 0.00 C ATOM 841 C TYR A 54 -8.328 -5.046 4.511 1.00 0.00 C ATOM 842 O TYR A 54 -7.286 -5.648 4.770 1.00 0.00 O ATOM 843 CB TYR A 54 -9.371 -5.566 2.297 1.00 0.00 C ATOM 844 CG TYR A 54 -9.690 -5.127 0.886 1.00 0.00 C ATOM 845 CD1 TYR A 54 -8.766 -5.291 -0.139 1.00 0.00 C ATOM 846 CD2 TYR A 54 -10.914 -4.547 0.578 1.00 0.00 C ATOM 847 CE1 TYR A 54 -9.053 -4.891 -1.430 1.00 0.00 C ATOM 848 CE2 TYR A 54 -11.210 -4.146 -0.711 1.00 0.00 C ATOM 849 CZ TYR A 54 -10.276 -4.319 -1.711 1.00 0.00 C ATOM 850 OH TYR A 54 -10.567 -3.919 -2.995 1.00 0.00 O ATOM 0 H TYR A 54 -6.812 -4.975 2.111 1.00 0.00 H new ATOM 0 HA TYR A 54 -9.205 -3.615 3.186 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.787 -6.485 2.259 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.301 -5.800 2.815 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.807 -5.739 0.077 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.647 -4.407 1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.323 -5.026 -2.215 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.168 -3.699 -0.934 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.469 -3.537 -3.022 1.00 0.00 H new ATOM 860 N LYS A 55 -9.273 -4.815 5.416 1.00 0.00 N ATOM 861 CA LYS A 55 -9.138 -5.266 6.796 1.00 0.00 C ATOM 862 C LYS A 55 -8.630 -6.703 6.851 1.00 0.00 C ATOM 863 O LYS A 55 -7.910 -7.081 7.776 1.00 0.00 O ATOM 864 CB LYS A 55 -10.481 -5.160 7.522 1.00 0.00 C ATOM 865 CG LYS A 55 -11.581 -5.995 6.890 1.00 0.00 C ATOM 866 CD LYS A 55 -12.959 -5.522 7.325 1.00 0.00 C ATOM 867 CE LYS A 55 -14.055 -6.425 6.780 1.00 0.00 C ATOM 868 NZ LYS A 55 -15.405 -6.002 7.245 1.00 0.00 N ATOM 0 H LYS A 55 -10.141 -4.318 5.218 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.411 -4.623 7.293 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.350 -5.471 8.558 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.794 -4.116 7.540 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.502 -5.940 5.804 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.450 -7.041 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -13.011 -5.501 8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.121 -4.501 6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -14.026 -6.414 5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -13.868 -7.452 7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -16.094 -6.754 7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -15.379 -5.824 8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.686 -5.132 6.749 1.00 0.00 H new ATOM 882 N ASP A 56 -9.007 -7.498 5.856 1.00 0.00 N ATOM 883 CA ASP A 56 -8.587 -8.893 5.790 1.00 0.00 C ATOM 884 C ASP A 56 -8.555 -9.383 4.346 1.00 0.00 C ATOM 885 O ASP A 56 -8.770 -8.609 3.414 1.00 0.00 O ATOM 886 CB ASP A 56 -9.527 -9.770 6.619 1.00 0.00 C ATOM 887 CG ASP A 56 -9.205 -9.725 8.100 1.00 0.00 C ATOM 888 OD1 ASP A 56 -8.013 -9.580 8.444 1.00 0.00 O ATOM 889 OD2 ASP A 56 -10.145 -9.835 8.914 1.00 0.00 O ATOM 0 H ASP A 56 -9.603 -7.200 5.084 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.580 -8.964 6.201 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.555 -9.443 6.464 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.463 -10.800 6.267 1.00 0.00 H new ATOM 894 N GLU A 57 -8.284 -10.673 4.170 1.00 0.00 N ATOM 895 CA GLU A 57 -8.222 -11.265 2.839 1.00 0.00 C ATOM 896 C GLU A 57 -9.608 -11.319 2.202 1.00 0.00 C ATOM 897 O GLU A 57 -9.742 -11.316 0.979 1.00 0.00 O ATOM 898 CB GLU A 57 -7.626 -12.672 2.910 1.00 0.00 C ATOM 899 CG GLU A 57 -7.998 -13.551 1.728 1.00 0.00 C ATOM 900 CD GLU A 57 -7.331 -13.110 0.440 1.00 0.00 C ATOM 901 OE1 GLU A 57 -7.923 -12.277 -0.279 1.00 0.00 O ATOM 902 OE2 GLU A 57 -6.219 -13.597 0.150 1.00 0.00 O ATOM 0 H GLU A 57 -8.104 -11.327 4.932 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.581 -10.638 2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.540 -12.595 2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.960 -13.153 3.829 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.717 -14.582 1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.080 -13.537 1.596 1.00 0.00 H new ATOM 909 N LYS A 58 -10.636 -11.370 3.042 1.00 0.00 N ATOM 910 CA LYS A 58 -12.013 -11.424 2.564 1.00 0.00 C ATOM 911 C LYS A 58 -12.271 -10.338 1.524 1.00 0.00 C ATOM 912 O LYS A 58 -13.133 -10.488 0.659 1.00 0.00 O ATOM 913 CB LYS A 58 -12.987 -11.268 3.733 1.00 0.00 C ATOM 914 CG LYS A 58 -12.980 -12.445 4.693 1.00 0.00 C ATOM 915 CD LYS A 58 -14.282 -12.538 5.471 1.00 0.00 C ATOM 916 CE LYS A 58 -14.072 -13.178 6.835 1.00 0.00 C ATOM 917 NZ LYS A 58 -15.351 -13.319 7.584 1.00 0.00 N ATOM 0 H LYS A 58 -10.542 -11.375 4.058 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.171 -12.395 2.096 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.739 -10.360 4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -13.995 -11.137 3.340 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -12.821 -13.369 4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -12.146 -12.344 5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.704 -11.541 5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.006 -13.121 4.902 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.615 -14.159 6.709 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.375 -12.574 7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.166 -13.759 8.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.775 -12.380 7.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -16.007 -13.916 7.041 1.00 0.00 H new ATOM 931 N GLU A 59 -11.518 -9.247 1.615 1.00 0.00 N ATOM 932 CA GLU A 59 -11.666 -8.137 0.681 1.00 0.00 C ATOM 933 C GLU A 59 -13.124 -7.697 0.586 1.00 0.00 C ATOM 934 O GLU A 59 -13.692 -7.627 -0.503 1.00 0.00 O ATOM 935 CB GLU A 59 -11.151 -8.534 -0.703 1.00 0.00 C ATOM 936 CG GLU A 59 -9.635 -8.597 -0.794 1.00 0.00 C ATOM 937 CD GLU A 59 -9.142 -8.741 -2.220 1.00 0.00 C ATOM 938 OE1 GLU A 59 -9.060 -7.715 -2.927 1.00 0.00 O ATOM 939 OE2 GLU A 59 -8.837 -9.881 -2.630 1.00 0.00 O ATOM 0 H GLU A 59 -10.800 -9.108 2.326 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.075 -7.300 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.563 -9.507 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.521 -7.819 -1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.211 -7.693 -0.356 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.274 -9.438 -0.202 1.00 0.00 H new ATOM 946 N GLU A 60 -13.723 -7.402 1.736 1.00 0.00 N ATOM 947 CA GLU A 60 -15.115 -6.970 1.782 1.00 0.00 C ATOM 948 C GLU A 60 -15.254 -5.527 1.306 1.00 0.00 C ATOM 949 O GLU A 60 -15.891 -5.256 0.288 1.00 0.00 O ATOM 950 CB GLU A 60 -15.667 -7.105 3.203 1.00 0.00 C ATOM 951 CG GLU A 60 -15.511 -8.499 3.787 1.00 0.00 C ATOM 952 CD GLU A 60 -16.427 -8.743 4.970 1.00 0.00 C ATOM 953 OE1 GLU A 60 -17.647 -8.900 4.754 1.00 0.00 O ATOM 954 OE2 GLU A 60 -15.924 -8.776 6.113 1.00 0.00 O ATOM 0 H GLU A 60 -13.267 -7.454 2.647 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.690 -7.611 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -15.159 -6.390 3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -16.724 -6.838 3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -15.719 -9.238 3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.476 -8.645 4.098 1.00 0.00 H new ATOM 961 N SER A 61 -14.653 -4.604 2.051 1.00 0.00 N ATOM 962 CA SER A 61 -14.712 -3.188 1.708 1.00 0.00 C ATOM 963 C SER A 61 -13.333 -2.545 1.817 1.00 0.00 C ATOM 964 O SER A 61 -12.549 -2.878 2.706 1.00 0.00 O ATOM 965 CB SER A 61 -15.700 -2.461 2.623 1.00 0.00 C ATOM 966 OG SER A 61 -15.764 -1.081 2.309 1.00 0.00 O ATOM 0 H SER A 61 -14.120 -4.812 2.896 1.00 0.00 H new ATOM 0 HA SER A 61 -15.053 -3.103 0.676 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.690 -2.907 2.522 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.398 -2.587 3.663 1.00 0.00 H new ATOM 0 HG SER A 61 -16.403 -0.639 2.906 1.00 0.00 H new ATOM 972 N ILE A 62 -13.044 -1.622 0.906 1.00 0.00 N ATOM 973 CA ILE A 62 -11.761 -0.931 0.899 1.00 0.00 C ATOM 974 C ILE A 62 -11.660 0.053 2.060 1.00 0.00 C ATOM 975 O ILE A 62 -12.418 1.021 2.136 1.00 0.00 O ATOM 976 CB ILE A 62 -11.537 -0.172 -0.422 1.00 0.00 C ATOM 977 CG1 ILE A 62 -11.451 -1.155 -1.592 1.00 0.00 C ATOM 978 CG2 ILE A 62 -10.274 0.673 -0.340 1.00 0.00 C ATOM 979 CD1 ILE A 62 -11.309 -0.481 -2.938 1.00 0.00 C ATOM 0 H ILE A 62 -13.681 -1.335 0.163 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.991 -1.695 1.005 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.385 0.492 -0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -10.601 -1.819 -1.436 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.345 -1.778 -1.599 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.129 1.203 -1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.371 1.394 0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -9.416 0.028 -0.152 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.254 -1.238 -3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.171 0.162 -3.116 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.400 0.120 -2.950 1.00 0.00 H new ATOM 991 N LEU A 63 -10.718 -0.200 2.962 1.00 0.00 N ATOM 992 CA LEU A 63 -10.516 0.664 4.120 1.00 0.00 C ATOM 993 C LEU A 63 -9.839 1.969 3.714 1.00 0.00 C ATOM 994 O LEU A 63 -10.248 3.050 4.136 1.00 0.00 O ATOM 995 CB LEU A 63 -9.673 -0.054 5.176 1.00 0.00 C ATOM 996 CG LEU A 63 -10.278 -1.329 5.765 1.00 0.00 C ATOM 997 CD1 LEU A 63 -9.382 -1.888 6.859 1.00 0.00 C ATOM 998 CD2 LEU A 63 -11.675 -1.056 6.304 1.00 0.00 C ATOM 0 H LEU A 63 -10.082 -0.996 2.914 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.493 0.899 4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -8.709 -0.304 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.478 0.642 5.992 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.355 -2.073 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.828 -2.795 7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.402 -2.121 6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.273 -1.149 7.653 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.091 -1.974 6.719 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.622 -0.296 7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.314 -0.702 5.495 1.00 0.00 H new ATOM 1010 N GLY A 64 -8.802 1.860 2.889 1.00 0.00 N ATOM 1011 CA GLY A 64 -8.087 3.039 2.437 1.00 0.00 C ATOM 1012 C GLY A 64 -7.311 2.792 1.159 1.00 0.00 C ATOM 1013 O GLY A 64 -6.371 1.998 1.139 1.00 0.00 O ATOM 0 H GLY A 64 -8.445 0.976 2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.796 3.851 2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.400 3.365 3.218 1.00 0.00 H new ATOM 1017 N SER A 65 -7.705 3.473 0.088 1.00 0.00 N ATOM 1018 CA SER A 65 -7.044 3.320 -1.203 1.00 0.00 C ATOM 1019 C SER A 65 -5.904 4.323 -1.352 1.00 0.00 C ATOM 1020 O SER A 65 -6.044 5.494 -0.996 1.00 0.00 O ATOM 1021 CB SER A 65 -8.050 3.501 -2.341 1.00 0.00 C ATOM 1022 OG SER A 65 -8.762 4.718 -2.203 1.00 0.00 O ATOM 0 H SER A 65 -8.479 4.137 0.089 1.00 0.00 H new ATOM 0 HA SER A 65 -6.628 2.314 -1.253 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.528 3.488 -3.298 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.750 2.665 -2.348 1.00 0.00 H new ATOM 0 HG SER A 65 -9.397 4.811 -2.943 1.00 0.00 H new ATOM 1028 N ILE A 66 -4.778 3.856 -1.879 1.00 0.00 N ATOM 1029 CA ILE A 66 -3.615 4.712 -2.077 1.00 0.00 C ATOM 1030 C ILE A 66 -3.078 4.590 -3.499 1.00 0.00 C ATOM 1031 O ILE A 66 -2.603 3.536 -3.921 1.00 0.00 O ATOM 1032 CB ILE A 66 -2.488 4.369 -1.084 1.00 0.00 C ATOM 1033 CG1 ILE A 66 -2.985 4.519 0.356 1.00 0.00 C ATOM 1034 CG2 ILE A 66 -1.278 5.258 -1.328 1.00 0.00 C ATOM 1035 CD1 ILE A 66 -2.208 3.687 1.353 1.00 0.00 C ATOM 0 H ILE A 66 -4.646 2.889 -2.177 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.944 5.736 -1.902 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.189 3.332 -1.240 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.925 5.568 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -4.037 4.236 0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.491 5.003 -0.619 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -0.914 5.106 -2.344 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.561 6.302 -1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.615 3.843 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.289 2.633 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.160 3.985 1.337 1.00 0.00 H new ATOM 1047 N PRO A 67 -3.152 5.695 -4.255 1.00 0.00 N ATOM 1048 CA PRO A 67 -2.676 5.739 -5.641 1.00 0.00 C ATOM 1049 C PRO A 67 -1.156 5.659 -5.735 1.00 0.00 C ATOM 1050 O PRO A 67 -0.445 6.515 -5.207 1.00 0.00 O ATOM 1051 CB PRO A 67 -3.172 7.097 -6.144 1.00 0.00 C ATOM 1052 CG PRO A 67 -3.303 7.931 -4.916 1.00 0.00 C ATOM 1053 CD PRO A 67 -3.706 6.987 -3.817 1.00 0.00 C ATOM 0 HA PRO A 67 -3.042 4.894 -6.224 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.468 7.539 -6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -4.126 7.003 -6.662 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.362 8.427 -4.679 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -4.050 8.713 -5.053 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.297 7.294 -2.854 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -4.789 6.942 -3.703 1.00 0.00 H new ATOM 1061 N LEU A 68 -0.663 4.626 -6.409 1.00 0.00 N ATOM 1062 CA LEU A 68 0.774 4.434 -6.573 1.00 0.00 C ATOM 1063 C LEU A 68 1.259 5.045 -7.883 1.00 0.00 C ATOM 1064 O LEU A 68 2.427 5.414 -8.013 1.00 0.00 O ATOM 1065 CB LEU A 68 1.117 2.943 -6.534 1.00 0.00 C ATOM 1066 CG LEU A 68 1.210 2.312 -5.145 1.00 0.00 C ATOM 1067 CD1 LEU A 68 1.540 0.831 -5.252 1.00 0.00 C ATOM 1068 CD2 LEU A 68 2.251 3.033 -4.300 1.00 0.00 C ATOM 0 H LEU A 68 -1.237 3.908 -6.851 1.00 0.00 H new ATOM 0 HA LEU A 68 1.279 4.938 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.364 2.402 -7.107 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.070 2.796 -7.042 1.00 0.00 H new ATOM 0 HG LEU A 68 0.241 2.413 -4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.602 0.399 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.759 0.324 -5.819 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.496 0.707 -5.761 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.304 2.570 -3.314 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.225 2.965 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.971 4.081 -4.194 1.00 0.00 H new ATOM 1080 N LEU A 69 0.355 5.151 -8.851 1.00 0.00 N ATOM 1081 CA LEU A 69 0.690 5.721 -10.152 1.00 0.00 C ATOM 1082 C LEU A 69 1.349 7.088 -9.994 1.00 0.00 C ATOM 1083 O LEU A 69 1.962 7.604 -10.929 1.00 0.00 O ATOM 1084 CB LEU A 69 -0.566 5.844 -11.015 1.00 0.00 C ATOM 1085 CG LEU A 69 -0.530 6.918 -12.103 1.00 0.00 C ATOM 1086 CD1 LEU A 69 0.359 6.480 -13.257 1.00 0.00 C ATOM 1087 CD2 LEU A 69 -1.936 7.224 -12.597 1.00 0.00 C ATOM 0 H LEU A 69 -0.615 4.850 -8.760 1.00 0.00 H new ATOM 0 HA LEU A 69 1.397 5.052 -10.643 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.752 4.881 -11.490 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.414 6.046 -10.361 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.111 7.828 -11.674 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.372 7.257 -14.021 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.372 6.313 -12.892 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.030 5.556 -13.685 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.891 7.990 -13.371 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.382 6.319 -13.008 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.544 7.583 -11.766 1.00 0.00 H new ATOM 1099 N SER A 70 1.220 7.668 -8.805 1.00 0.00 N ATOM 1100 CA SER A 70 1.802 8.975 -8.525 1.00 0.00 C ATOM 1101 C SER A 70 2.825 8.885 -7.397 1.00 0.00 C ATOM 1102 O SER A 70 2.975 9.814 -6.604 1.00 0.00 O ATOM 1103 CB SER A 70 0.705 9.976 -8.156 1.00 0.00 C ATOM 1104 OG SER A 70 -0.349 9.950 -9.102 1.00 0.00 O ATOM 0 H SER A 70 0.718 7.253 -8.020 1.00 0.00 H new ATOM 0 HA SER A 70 2.311 9.319 -9.425 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.314 9.743 -7.165 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.127 10.980 -8.105 1.00 0.00 H new ATOM 0 HG SER A 70 -1.038 10.597 -8.842 1.00 0.00 H new ATOM 1110 N PHE A 71 3.526 7.758 -7.332 1.00 0.00 N ATOM 1111 CA PHE A 71 4.535 7.544 -6.301 1.00 0.00 C ATOM 1112 C PHE A 71 5.786 6.899 -6.890 1.00 0.00 C ATOM 1113 O PHE A 71 5.817 6.539 -8.066 1.00 0.00 O ATOM 1114 CB PHE A 71 3.973 6.665 -5.182 1.00 0.00 C ATOM 1115 CG PHE A 71 3.258 7.441 -4.112 1.00 0.00 C ATOM 1116 CD1 PHE A 71 2.038 8.043 -4.373 1.00 0.00 C ATOM 1117 CD2 PHE A 71 3.806 7.566 -2.846 1.00 0.00 C ATOM 1118 CE1 PHE A 71 1.379 8.758 -3.391 1.00 0.00 C ATOM 1119 CE2 PHE A 71 3.151 8.279 -1.859 1.00 0.00 C ATOM 1120 CZ PHE A 71 1.935 8.875 -2.132 1.00 0.00 C ATOM 0 H PHE A 71 3.414 6.979 -7.981 1.00 0.00 H new ATOM 0 HA PHE A 71 4.808 8.515 -5.888 1.00 0.00 H new ATOM 0 HB2 PHE A 71 3.285 5.937 -5.613 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.789 6.103 -4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.597 7.953 -5.355 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.756 7.101 -2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.430 9.225 -3.608 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.589 8.370 -0.876 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.420 9.431 -1.363 1.00 0.00 H new ATOM 1130 N ARG A 72 6.817 6.758 -6.062 1.00 0.00 N ATOM 1131 CA ARG A 72 8.072 6.159 -6.500 1.00 0.00 C ATOM 1132 C ARG A 72 8.565 5.130 -5.488 1.00 0.00 C ATOM 1133 O ARG A 72 9.315 5.458 -4.568 1.00 0.00 O ATOM 1134 CB ARG A 72 9.134 7.240 -6.704 1.00 0.00 C ATOM 1135 CG ARG A 72 10.424 6.719 -7.318 1.00 0.00 C ATOM 1136 CD ARG A 72 10.286 6.522 -8.819 1.00 0.00 C ATOM 1137 NE ARG A 72 10.109 7.789 -9.524 1.00 0.00 N ATOM 1138 CZ ARG A 72 8.922 8.322 -9.792 1.00 0.00 C ATOM 1139 NH1 ARG A 72 7.813 7.701 -9.416 1.00 0.00 N ATOM 1140 NH2 ARG A 72 8.843 9.479 -10.437 1.00 0.00 N ATOM 0 H ARG A 72 6.807 7.050 -5.085 1.00 0.00 H new ATOM 0 HA ARG A 72 7.893 5.653 -7.449 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.726 8.022 -7.345 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.360 7.702 -5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.234 7.420 -7.115 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.695 5.773 -6.849 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.172 6.016 -9.201 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.435 5.872 -9.022 1.00 0.00 H new ATOM 0 HE ARG A 72 10.943 8.292 -9.827 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.870 6.812 -8.920 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.903 8.112 -9.623 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.694 9.960 -10.728 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.931 9.887 -10.642 1.00 0.00 H new ATOM 1154 N VAL A 73 8.139 3.883 -5.663 1.00 0.00 N ATOM 1155 CA VAL A 73 8.538 2.805 -4.765 1.00 0.00 C ATOM 1156 C VAL A 73 10.031 2.520 -4.879 1.00 0.00 C ATOM 1157 O VAL A 73 10.616 2.640 -5.955 1.00 0.00 O ATOM 1158 CB VAL A 73 7.755 1.512 -5.059 1.00 0.00 C ATOM 1159 CG1 VAL A 73 8.140 0.419 -4.073 1.00 0.00 C ATOM 1160 CG2 VAL A 73 6.257 1.775 -5.018 1.00 0.00 C ATOM 0 H VAL A 73 7.518 3.594 -6.418 1.00 0.00 H new ATOM 0 HA VAL A 73 8.311 3.136 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 73 8.013 1.171 -6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.577 -0.487 -4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.207 0.213 -4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.912 0.747 -3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.719 0.850 -5.228 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.979 2.140 -4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.998 2.523 -5.767 1.00 0.00 H new ATOM 1170 N ALA A 74 10.642 2.140 -3.761 1.00 0.00 N ATOM 1171 CA ALA A 74 12.067 1.834 -3.735 1.00 0.00 C ATOM 1172 C ALA A 74 12.465 1.183 -2.415 1.00 0.00 C ATOM 1173 O ALA A 74 12.063 1.635 -1.343 1.00 0.00 O ATOM 1174 CB ALA A 74 12.882 3.098 -3.969 1.00 0.00 C ATOM 0 H ALA A 74 10.172 2.037 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 74 12.276 1.126 -4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.944 2.855 -3.947 1.00 0.00 H new ATOM 0 HB2 ALA A 74 12.626 3.521 -4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.660 3.824 -3.187 1.00 0.00 H new ATOM 1180 N ALA A 75 13.255 0.118 -2.501 1.00 0.00 N ATOM 1181 CA ALA A 75 13.708 -0.595 -1.313 1.00 0.00 C ATOM 1182 C ALA A 75 14.305 0.367 -0.291 1.00 0.00 C ATOM 1183 O ALA A 75 15.034 1.293 -0.646 1.00 0.00 O ATOM 1184 CB ALA A 75 14.724 -1.662 -1.693 1.00 0.00 C ATOM 0 H ALA A 75 13.595 -0.270 -3.381 1.00 0.00 H new ATOM 0 HA ALA A 75 12.844 -1.078 -0.857 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.054 -2.186 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.266 -2.372 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 75 15.582 -1.193 -2.175 1.00 0.00 H new ATOM 1190 N VAL A 76 13.991 0.141 0.981 1.00 0.00 N ATOM 1191 CA VAL A 76 14.496 0.987 2.056 1.00 0.00 C ATOM 1192 C VAL A 76 16.016 1.094 2.002 1.00 0.00 C ATOM 1193 O VAL A 76 16.675 0.348 1.278 1.00 0.00 O ATOM 1194 CB VAL A 76 14.079 0.449 3.437 1.00 0.00 C ATOM 1195 CG1 VAL A 76 12.625 0.789 3.726 1.00 0.00 C ATOM 1196 CG2 VAL A 76 14.310 -1.053 3.515 1.00 0.00 C ATOM 0 H VAL A 76 13.389 -0.621 1.292 1.00 0.00 H new ATOM 0 HA VAL A 76 14.059 1.975 1.913 1.00 0.00 H new ATOM 0 HB VAL A 76 14.697 0.929 4.196 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.348 0.401 4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.495 1.871 3.715 1.00 0.00 H new ATOM 0 HG13 VAL A 76 11.988 0.339 2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 76 14.010 -1.417 4.498 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.719 -1.552 2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 76 15.367 -1.267 3.356 1.00 0.00 H new ATOM 1206 N GLN A 77 16.566 2.026 2.773 1.00 0.00 N ATOM 1207 CA GLN A 77 18.009 2.231 2.813 1.00 0.00 C ATOM 1208 C GLN A 77 18.570 1.886 4.188 1.00 0.00 C ATOM 1209 O GLN A 77 17.855 1.867 5.191 1.00 0.00 O ATOM 1210 CB GLN A 77 18.350 3.679 2.459 1.00 0.00 C ATOM 1211 CG GLN A 77 18.431 3.937 0.963 1.00 0.00 C ATOM 1212 CD GLN A 77 19.018 5.296 0.635 1.00 0.00 C ATOM 1213 OE1 GLN A 77 19.902 5.788 1.337 1.00 0.00 O ATOM 1214 NE2 GLN A 77 18.529 5.910 -0.436 1.00 0.00 N ATOM 0 H GLN A 77 16.034 2.651 3.379 1.00 0.00 H new ATOM 0 HA GLN A 77 18.465 1.568 2.078 1.00 0.00 H new ATOM 0 HB2 GLN A 77 17.597 4.337 2.892 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.304 3.941 2.917 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.039 3.161 0.497 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.433 3.863 0.531 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.796 5.465 -0.989 1.00 0.00 H new ATOM 0 HE22 GLN A 77 18.886 6.827 -0.706 1.00 0.00 H new ATOM 1223 N PRO A 78 19.881 1.605 4.240 1.00 0.00 N ATOM 1224 CA PRO A 78 20.567 1.255 5.487 1.00 0.00 C ATOM 1225 C PRO A 78 20.684 2.442 6.436 1.00 0.00 C ATOM 1226 O PRO A 78 21.204 2.313 7.545 1.00 0.00 O ATOM 1227 CB PRO A 78 21.953 0.808 5.016 1.00 0.00 C ATOM 1228 CG PRO A 78 22.155 1.506 3.715 1.00 0.00 C ATOM 1229 CD PRO A 78 20.794 1.607 3.084 1.00 0.00 C ATOM 0 HA PRO A 78 20.027 0.493 6.050 1.00 0.00 H new ATOM 0 HB2 PRO A 78 22.723 1.083 5.736 1.00 0.00 H new ATOM 0 HB3 PRO A 78 22.000 -0.274 4.896 1.00 0.00 H new ATOM 0 HG2 PRO A 78 22.590 2.494 3.866 1.00 0.00 H new ATOM 0 HG3 PRO A 78 22.841 0.950 3.076 1.00 0.00 H new ATOM 0 HD2 PRO A 78 20.692 2.517 2.493 1.00 0.00 H new ATOM 0 HD3 PRO A 78 20.598 0.769 2.415 1.00 0.00 H new ATOM 1237 N SER A 79 20.198 3.598 5.995 1.00 0.00 N ATOM 1238 CA SER A 79 20.252 4.809 6.805 1.00 0.00 C ATOM 1239 C SER A 79 18.871 5.160 7.350 1.00 0.00 C ATOM 1240 O SER A 79 18.737 6.004 8.236 1.00 0.00 O ATOM 1241 CB SER A 79 20.798 5.976 5.979 1.00 0.00 C ATOM 1242 OG SER A 79 22.211 5.925 5.897 1.00 0.00 O ATOM 0 H SER A 79 19.762 3.721 5.081 1.00 0.00 H new ATOM 0 HA SER A 79 20.920 4.624 7.647 1.00 0.00 H new ATOM 0 HB2 SER A 79 20.371 5.947 4.976 1.00 0.00 H new ATOM 0 HB3 SER A 79 20.491 6.920 6.429 1.00 0.00 H new ATOM 0 HG SER A 79 22.535 6.680 5.363 1.00 0.00 H new ATOM 1248 N ASP A 80 17.847 4.505 6.814 1.00 0.00 N ATOM 1249 CA ASP A 80 16.475 4.745 7.247 1.00 0.00 C ATOM 1250 C ASP A 80 16.219 4.121 8.615 1.00 0.00 C ATOM 1251 O ASP A 80 16.912 3.190 9.023 1.00 0.00 O ATOM 1252 CB ASP A 80 15.488 4.181 6.223 1.00 0.00 C ATOM 1253 CG ASP A 80 15.172 5.170 5.118 1.00 0.00 C ATOM 1254 OD1 ASP A 80 16.117 5.794 4.593 1.00 0.00 O ATOM 1255 OD2 ASP A 80 13.979 5.320 4.779 1.00 0.00 O ATOM 0 H ASP A 80 17.941 3.804 6.079 1.00 0.00 H new ATOM 0 HA ASP A 80 16.329 5.822 7.326 1.00 0.00 H new ATOM 0 HB2 ASP A 80 15.902 3.272 5.786 1.00 0.00 H new ATOM 0 HB3 ASP A 80 14.565 3.899 6.729 1.00 0.00 H new ATOM 1260 N ASN A 81 15.221 4.642 9.321 1.00 0.00 N ATOM 1261 CA ASN A 81 14.875 4.138 10.644 1.00 0.00 C ATOM 1262 C ASN A 81 13.934 2.941 10.541 1.00 0.00 C ATOM 1263 O ASN A 81 12.930 2.865 11.250 1.00 0.00 O ATOM 1264 CB ASN A 81 14.224 5.241 11.480 1.00 0.00 C ATOM 1265 CG ASN A 81 15.213 6.315 11.891 1.00 0.00 C ATOM 1266 OD1 ASN A 81 15.077 7.478 11.509 1.00 0.00 O ATOM 1267 ND2 ASN A 81 16.215 5.929 12.672 1.00 0.00 N ATOM 0 H ASN A 81 14.637 5.414 8.998 1.00 0.00 H new ATOM 0 HA ASN A 81 15.794 3.815 11.133 1.00 0.00 H new ATOM 0 HB2 ASN A 81 13.414 5.696 10.909 1.00 0.00 H new ATOM 0 HB3 ASN A 81 13.778 4.802 12.372 1.00 0.00 H new ATOM 0 HD21 ASN A 81 16.912 6.607 12.980 1.00 0.00 H new ATOM 0 HD22 ASN A 81 16.288 4.954 12.964 1.00 0.00 H new ATOM 1274 N ILE A 82 14.267 2.008 9.655 1.00 0.00 N ATOM 1275 CA ILE A 82 13.454 0.815 9.461 1.00 0.00 C ATOM 1276 C ILE A 82 14.210 -0.441 9.882 1.00 0.00 C ATOM 1277 O ILE A 82 14.885 -1.073 9.069 1.00 0.00 O ATOM 1278 CB ILE A 82 13.013 0.666 7.993 1.00 0.00 C ATOM 1279 CG1 ILE A 82 12.229 1.902 7.546 1.00 0.00 C ATOM 1280 CG2 ILE A 82 12.175 -0.591 7.815 1.00 0.00 C ATOM 1281 CD1 ILE A 82 11.032 2.207 8.418 1.00 0.00 C ATOM 0 H ILE A 82 15.094 2.056 9.060 1.00 0.00 H new ATOM 0 HA ILE A 82 12.570 0.932 10.088 1.00 0.00 H new ATOM 0 HB ILE A 82 13.903 0.577 7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 82 12.896 2.764 7.544 1.00 0.00 H new ATOM 0 HG13 ILE A 82 11.893 1.757 6.519 1.00 0.00 H new ATOM 0 HG21 ILE A 82 11.872 -0.681 6.772 1.00 0.00 H new ATOM 0 HG22 ILE A 82 12.763 -1.464 8.099 1.00 0.00 H new ATOM 0 HG23 ILE A 82 11.289 -0.530 8.447 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.525 3.095 8.042 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.344 1.362 8.400 1.00 0.00 H new ATOM 0 HD13 ILE A 82 11.363 2.384 9.441 1.00 0.00 H new ATOM 1293 N SER A 83 14.092 -0.797 11.157 1.00 0.00 N ATOM 1294 CA SER A 83 14.766 -1.976 11.687 1.00 0.00 C ATOM 1295 C SER A 83 14.591 -3.168 10.751 1.00 0.00 C ATOM 1296 O SER A 83 15.478 -4.014 10.634 1.00 0.00 O ATOM 1297 CB SER A 83 14.222 -2.319 13.076 1.00 0.00 C ATOM 1298 OG SER A 83 14.762 -1.457 14.062 1.00 0.00 O ATOM 0 H SER A 83 13.536 -0.286 11.842 1.00 0.00 H new ATOM 0 HA SER A 83 15.830 -1.752 11.766 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.135 -2.239 13.074 1.00 0.00 H new ATOM 0 HB3 SER A 83 14.465 -3.353 13.320 1.00 0.00 H new ATOM 0 HG SER A 83 14.398 -1.695 14.940 1.00 0.00 H new ATOM 1304 N ARG A 84 13.441 -3.228 10.088 1.00 0.00 N ATOM 1305 CA ARG A 84 13.149 -4.317 9.163 1.00 0.00 C ATOM 1306 C ARG A 84 14.122 -4.309 7.988 1.00 0.00 C ATOM 1307 O ARG A 84 14.797 -3.311 7.734 1.00 0.00 O ATOM 1308 CB ARG A 84 11.712 -4.206 8.649 1.00 0.00 C ATOM 1309 CG ARG A 84 10.663 -4.340 9.741 1.00 0.00 C ATOM 1310 CD ARG A 84 9.406 -3.554 9.405 1.00 0.00 C ATOM 1311 NE ARG A 84 8.393 -3.668 10.451 1.00 0.00 N ATOM 1312 CZ ARG A 84 7.621 -4.736 10.613 1.00 0.00 C ATOM 1313 NH1 ARG A 84 7.746 -5.778 9.802 1.00 0.00 N ATOM 1314 NH2 ARG A 84 6.722 -4.765 11.588 1.00 0.00 N ATOM 0 H ARG A 84 12.697 -2.536 10.174 1.00 0.00 H new ATOM 0 HA ARG A 84 13.264 -5.258 9.701 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.586 -3.244 8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.543 -4.978 7.898 1.00 0.00 H new ATOM 0 HG2 ARG A 84 10.410 -5.392 9.877 1.00 0.00 H new ATOM 0 HG3 ARG A 84 11.073 -3.986 10.687 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.662 -2.504 9.262 1.00 0.00 H new ATOM 0 HD3 ARG A 84 8.995 -3.914 8.462 1.00 0.00 H new ATOM 0 HE ARG A 84 8.272 -2.884 11.092 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.437 -5.760 9.052 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.152 -6.597 9.929 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.623 -3.966 12.214 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.130 -5.586 11.711 1.00 0.00 H new ATOM 1328 N LYS A 85 14.191 -5.428 7.275 1.00 0.00 N ATOM 1329 CA LYS A 85 15.080 -5.551 6.127 1.00 0.00 C ATOM 1330 C LYS A 85 14.288 -5.558 4.823 1.00 0.00 C ATOM 1331 O LYS A 85 14.497 -4.711 3.953 1.00 0.00 O ATOM 1332 CB LYS A 85 15.914 -6.830 6.236 1.00 0.00 C ATOM 1333 CG LYS A 85 17.071 -6.719 7.213 1.00 0.00 C ATOM 1334 CD LYS A 85 18.056 -7.864 7.043 1.00 0.00 C ATOM 1335 CE LYS A 85 19.371 -7.578 7.751 1.00 0.00 C ATOM 1336 NZ LYS A 85 20.418 -8.578 7.402 1.00 0.00 N ATOM 0 H LYS A 85 13.641 -6.264 7.473 1.00 0.00 H new ATOM 0 HA LYS A 85 15.747 -4.689 6.122 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.267 -7.651 6.544 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.304 -7.084 5.251 1.00 0.00 H new ATOM 0 HG2 LYS A 85 17.585 -5.770 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 85 16.688 -6.716 8.233 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.621 -8.782 7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 85 18.242 -8.031 5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 85 19.718 -6.580 7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.211 -7.581 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.299 -8.348 7.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.098 -9.527 7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.589 -8.558 6.376 1.00 0.00 H new ATOM 1350 N HIS A 86 13.377 -6.517 4.694 1.00 0.00 N ATOM 1351 CA HIS A 86 12.552 -6.632 3.497 1.00 0.00 C ATOM 1352 C HIS A 86 11.439 -5.589 3.502 1.00 0.00 C ATOM 1353 O HIS A 86 10.256 -5.927 3.555 1.00 0.00 O ATOM 1354 CB HIS A 86 11.952 -8.035 3.399 1.00 0.00 C ATOM 1355 CG HIS A 86 12.807 -9.097 4.017 1.00 0.00 C ATOM 1356 ND1 HIS A 86 13.927 -9.615 3.402 1.00 0.00 N ATOM 1357 CD2 HIS A 86 12.702 -9.739 5.205 1.00 0.00 C ATOM 1358 CE1 HIS A 86 14.473 -10.530 4.183 1.00 0.00 C ATOM 1359 NE2 HIS A 86 13.749 -10.624 5.283 1.00 0.00 N ATOM 0 H HIS A 86 13.191 -7.226 5.404 1.00 0.00 H new ATOM 0 HA HIS A 86 13.187 -6.455 2.629 1.00 0.00 H new ATOM 0 HB2 HIS A 86 10.976 -8.038 3.884 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.787 -8.278 2.349 1.00 0.00 H new ATOM 0 HD2 HIS A 86 11.937 -9.584 5.952 1.00 0.00 H new ATOM 0 HE1 HIS A 86 15.360 -11.103 3.960 1.00 0.00 H new ATOM 0 HE2 HIS A 86 13.937 -11.252 6.064 1.00 0.00 H new ATOM 1368 N THR A 87 11.826 -4.318 3.446 1.00 0.00 N ATOM 1369 CA THR A 87 10.862 -3.225 3.446 1.00 0.00 C ATOM 1370 C THR A 87 11.154 -2.234 2.325 1.00 0.00 C ATOM 1371 O THR A 87 12.312 -1.965 2.007 1.00 0.00 O ATOM 1372 CB THR A 87 10.862 -2.475 4.792 1.00 0.00 C ATOM 1373 OG1 THR A 87 10.412 -3.344 5.837 1.00 0.00 O ATOM 1374 CG2 THR A 87 9.969 -1.246 4.726 1.00 0.00 C ATOM 0 H THR A 87 12.801 -4.021 3.400 1.00 0.00 H new ATOM 0 HA THR A 87 9.880 -3.670 3.287 1.00 0.00 H new ATOM 0 HB THR A 87 11.881 -2.152 5.003 1.00 0.00 H new ATOM 0 HG1 THR A 87 11.009 -4.118 5.898 1.00 0.00 H new ATOM 0 HG21 THR A 87 9.985 -0.733 5.687 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.333 -0.573 3.949 1.00 0.00 H new ATOM 0 HG23 THR A 87 8.948 -1.550 4.494 1.00 0.00 H new ATOM 1382 N PHE A 88 10.096 -1.693 1.729 1.00 0.00 N ATOM 1383 CA PHE A 88 10.240 -0.731 0.643 1.00 0.00 C ATOM 1384 C PHE A 88 9.435 0.534 0.926 1.00 0.00 C ATOM 1385 O PHE A 88 8.261 0.469 1.291 1.00 0.00 O ATOM 1386 CB PHE A 88 9.785 -1.352 -0.680 1.00 0.00 C ATOM 1387 CG PHE A 88 8.494 -2.113 -0.573 1.00 0.00 C ATOM 1388 CD1 PHE A 88 8.426 -3.287 0.159 1.00 0.00 C ATOM 1389 CD2 PHE A 88 7.349 -1.653 -1.203 1.00 0.00 C ATOM 1390 CE1 PHE A 88 7.239 -3.989 0.259 1.00 0.00 C ATOM 1391 CE2 PHE A 88 6.160 -2.351 -1.107 1.00 0.00 C ATOM 1392 CZ PHE A 88 6.105 -3.520 -0.374 1.00 0.00 C ATOM 0 H PHE A 88 9.130 -1.905 1.980 1.00 0.00 H new ATOM 0 HA PHE A 88 11.293 -0.461 0.568 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.671 -0.562 -1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 88 10.563 -2.022 -1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 88 9.310 -3.658 0.657 1.00 0.00 H new ATOM 0 HD2 PHE A 88 7.386 -0.738 -1.776 1.00 0.00 H new ATOM 0 HE1 PHE A 88 7.199 -4.904 0.832 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.275 -1.983 -1.605 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.177 -4.066 -0.296 1.00 0.00 H new ATOM 1402 N LYS A 89 10.076 1.686 0.757 1.00 0.00 N ATOM 1403 CA LYS A 89 9.422 2.967 0.993 1.00 0.00 C ATOM 1404 C LYS A 89 9.000 3.614 -0.322 1.00 0.00 C ATOM 1405 O LYS A 89 9.778 3.671 -1.274 1.00 0.00 O ATOM 1406 CB LYS A 89 10.357 3.907 1.759 1.00 0.00 C ATOM 1407 CG LYS A 89 11.802 3.835 1.297 1.00 0.00 C ATOM 1408 CD LYS A 89 12.534 5.142 1.550 1.00 0.00 C ATOM 1409 CE LYS A 89 14.020 5.017 1.250 1.00 0.00 C ATOM 1410 NZ LYS A 89 14.795 4.596 2.450 1.00 0.00 N ATOM 0 H LYS A 89 11.048 1.758 0.457 1.00 0.00 H new ATOM 0 HA LYS A 89 8.529 2.785 1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.000 4.931 1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.311 3.666 2.821 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.312 3.025 1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.834 3.599 0.233 1.00 0.00 H new ATOM 0 HD2 LYS A 89 12.102 5.928 0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 89 12.396 5.442 2.589 1.00 0.00 H new ATOM 0 HE2 LYS A 89 14.169 4.293 0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 89 14.399 5.973 0.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.478 5.339 2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 14.144 4.440 3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 15.305 3.714 2.242 1.00 0.00 H new ATOM 1424 N ALA A 90 7.764 4.100 -0.368 1.00 0.00 N ATOM 1425 CA ALA A 90 7.241 4.746 -1.565 1.00 0.00 C ATOM 1426 C ALA A 90 7.038 6.240 -1.339 1.00 0.00 C ATOM 1427 O ALA A 90 6.354 6.647 -0.401 1.00 0.00 O ATOM 1428 CB ALA A 90 5.934 4.092 -1.989 1.00 0.00 C ATOM 0 H ALA A 90 7.106 4.058 0.410 1.00 0.00 H new ATOM 0 HA ALA A 90 7.973 4.622 -2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.554 4.584 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.107 3.037 -2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.203 4.186 -1.186 1.00 0.00 H new ATOM 1434 N GLU A 91 7.637 7.052 -2.205 1.00 0.00 N ATOM 1435 CA GLU A 91 7.522 8.501 -2.097 1.00 0.00 C ATOM 1436 C GLU A 91 6.997 9.104 -3.397 1.00 0.00 C ATOM 1437 O GLU A 91 7.329 8.639 -4.488 1.00 0.00 O ATOM 1438 CB GLU A 91 8.878 9.118 -1.748 1.00 0.00 C ATOM 1439 CG GLU A 91 9.693 9.525 -2.964 1.00 0.00 C ATOM 1440 CD GLU A 91 11.173 9.651 -2.658 1.00 0.00 C ATOM 1441 OE1 GLU A 91 11.752 8.686 -2.116 1.00 0.00 O ATOM 1442 OE2 GLU A 91 11.752 10.715 -2.962 1.00 0.00 O ATOM 0 H GLU A 91 8.206 6.731 -2.988 1.00 0.00 H new ATOM 0 HA GLU A 91 6.813 8.725 -1.300 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.718 9.994 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.452 8.403 -1.159 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.551 8.789 -3.755 1.00 0.00 H new ATOM 0 HG3 GLU A 91 9.322 10.477 -3.344 1.00 0.00 H new ATOM 1449 N HIS A 92 6.174 10.140 -3.272 1.00 0.00 N ATOM 1450 CA HIS A 92 5.602 10.807 -4.437 1.00 0.00 C ATOM 1451 C HIS A 92 6.263 12.163 -4.666 1.00 0.00 C ATOM 1452 O HIS A 92 6.065 12.793 -5.704 1.00 0.00 O ATOM 1453 CB HIS A 92 4.094 10.985 -4.260 1.00 0.00 C ATOM 1454 CG HIS A 92 3.514 12.067 -5.118 1.00 0.00 C ATOM 1455 ND1 HIS A 92 2.739 13.091 -4.616 1.00 0.00 N ATOM 1456 CD2 HIS A 92 3.600 12.281 -6.452 1.00 0.00 C ATOM 1457 CE1 HIS A 92 2.372 13.888 -5.605 1.00 0.00 C ATOM 1458 NE2 HIS A 92 2.882 13.418 -6.729 1.00 0.00 N ATOM 0 H HIS A 92 5.888 10.536 -2.377 1.00 0.00 H new ATOM 0 HA HIS A 92 5.786 10.181 -5.310 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.596 10.043 -4.491 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.883 11.209 -3.214 1.00 0.00 H new ATOM 0 HD2 HIS A 92 4.134 11.671 -7.165 1.00 0.00 H new ATOM 0 HE1 HIS A 92 1.760 14.773 -5.510 1.00 0.00 H new ATOM 0 HE2 HIS A 92 2.762 13.833 -7.653 1.00 0.00 H new ATOM 1467 N ALA A 93 7.048 12.605 -3.689 1.00 0.00 N ATOM 1468 CA ALA A 93 7.739 13.885 -3.785 1.00 0.00 C ATOM 1469 C ALA A 93 6.747 15.036 -3.918 1.00 0.00 C ATOM 1470 O ALA A 93 7.009 16.017 -4.613 1.00 0.00 O ATOM 1471 CB ALA A 93 8.703 13.878 -4.962 1.00 0.00 C ATOM 0 H ALA A 93 7.221 12.096 -2.822 1.00 0.00 H new ATOM 0 HA ALA A 93 8.306 14.033 -2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.212 14.840 -5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.439 13.086 -4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.150 13.703 -5.885 1.00 0.00 H new ATOM 1477 N GLY A 94 5.606 14.908 -3.247 1.00 0.00 N ATOM 1478 CA GLY A 94 4.592 15.945 -3.305 1.00 0.00 C ATOM 1479 C GLY A 94 3.598 15.847 -2.165 1.00 0.00 C ATOM 1480 O GLY A 94 3.197 16.860 -1.592 1.00 0.00 O ATOM 0 H GLY A 94 5.366 14.106 -2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 94 5.074 16.922 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 94 4.060 15.876 -4.254 1.00 0.00 H new ATOM 1484 N VAL A 95 3.197 14.623 -1.835 1.00 0.00 N ATOM 1485 CA VAL A 95 2.242 14.397 -0.756 1.00 0.00 C ATOM 1486 C VAL A 95 2.937 13.852 0.487 1.00 0.00 C ATOM 1487 O VAL A 95 3.078 14.552 1.490 1.00 0.00 O ATOM 1488 CB VAL A 95 1.135 13.415 -1.183 1.00 0.00 C ATOM 1489 CG1 VAL A 95 0.029 13.370 -0.139 1.00 0.00 C ATOM 1490 CG2 VAL A 95 0.578 13.802 -2.545 1.00 0.00 C ATOM 0 H VAL A 95 3.518 13.773 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 95 1.792 15.362 -0.524 1.00 0.00 H new ATOM 0 HB VAL A 95 1.568 12.418 -1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.744 12.671 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.442 13.043 0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.405 14.364 -0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.203 13.098 -2.832 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.160 14.807 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.378 13.778 -3.285 1.00 0.00 H new ATOM 1500 N ARG A 96 3.370 12.598 0.414 1.00 0.00 N ATOM 1501 CA ARG A 96 4.051 11.958 1.534 1.00 0.00 C ATOM 1502 C ARG A 96 4.712 10.654 1.095 1.00 0.00 C ATOM 1503 O ARG A 96 4.527 10.201 -0.035 1.00 0.00 O ATOM 1504 CB ARG A 96 3.062 11.684 2.669 1.00 0.00 C ATOM 1505 CG ARG A 96 1.990 10.669 2.311 1.00 0.00 C ATOM 1506 CD ARG A 96 0.768 10.810 3.205 1.00 0.00 C ATOM 1507 NE ARG A 96 -0.465 10.453 2.509 1.00 0.00 N ATOM 1508 CZ ARG A 96 -1.667 10.887 2.872 1.00 0.00 C ATOM 1509 NH1 ARG A 96 -1.796 11.691 3.918 1.00 0.00 N ATOM 1510 NH2 ARG A 96 -2.742 10.517 2.188 1.00 0.00 N ATOM 0 H ARG A 96 3.262 12.005 -0.409 1.00 0.00 H new ATOM 0 HA ARG A 96 4.826 12.636 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.612 11.327 3.540 1.00 0.00 H new ATOM 0 HB3 ARG A 96 2.583 12.620 2.956 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.697 10.800 1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.396 9.662 2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.886 10.174 4.082 1.00 0.00 H new ATOM 0 HD3 ARG A 96 0.698 11.837 3.563 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.400 9.836 1.699 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -0.972 11.978 4.446 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.720 12.023 4.195 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.646 9.899 1.382 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -3.664 10.851 2.468 1.00 0.00 H new ATOM 1524 N THR A 97 5.484 10.056 1.997 1.00 0.00 N ATOM 1525 CA THR A 97 6.174 8.806 1.703 1.00 0.00 C ATOM 1526 C THR A 97 5.649 7.670 2.573 1.00 0.00 C ATOM 1527 O THR A 97 5.760 7.712 3.799 1.00 0.00 O ATOM 1528 CB THR A 97 7.694 8.940 1.916 1.00 0.00 C ATOM 1529 OG1 THR A 97 8.202 10.034 1.144 1.00 0.00 O ATOM 1530 CG2 THR A 97 8.411 7.658 1.520 1.00 0.00 C ATOM 0 H THR A 97 5.647 10.417 2.937 1.00 0.00 H new ATOM 0 HA THR A 97 5.980 8.577 0.655 1.00 0.00 H new ATOM 0 HB THR A 97 7.875 9.127 2.974 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.168 10.114 1.286 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.483 7.777 1.679 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.043 6.832 2.129 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.222 7.445 0.468 1.00 0.00 H new ATOM 1538 N TYR A 98 5.077 6.657 1.933 1.00 0.00 N ATOM 1539 CA TYR A 98 4.532 5.510 2.650 1.00 0.00 C ATOM 1540 C TYR A 98 5.599 4.439 2.854 1.00 0.00 C ATOM 1541 O TYR A 98 6.699 4.528 2.307 1.00 0.00 O ATOM 1542 CB TYR A 98 3.344 4.922 1.887 1.00 0.00 C ATOM 1543 CG TYR A 98 2.099 5.779 1.952 1.00 0.00 C ATOM 1544 CD1 TYR A 98 2.052 7.018 1.326 1.00 0.00 C ATOM 1545 CD2 TYR A 98 0.971 5.349 2.640 1.00 0.00 C ATOM 1546 CE1 TYR A 98 0.918 7.805 1.383 1.00 0.00 C ATOM 1547 CE2 TYR A 98 -0.168 6.128 2.701 1.00 0.00 C ATOM 1548 CZ TYR A 98 -0.190 7.355 2.071 1.00 0.00 C ATOM 1549 OH TYR A 98 -1.322 8.134 2.131 1.00 0.00 O ATOM 0 H TYR A 98 4.978 6.606 0.919 1.00 0.00 H new ATOM 0 HA TYR A 98 4.194 5.852 3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 98 3.626 4.784 0.843 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.117 3.935 2.289 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.917 7.372 0.785 1.00 0.00 H new ATOM 0 HD2 TYR A 98 0.985 4.389 3.135 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.899 8.767 0.892 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.037 5.778 3.239 1.00 0.00 H new ATOM 0 HH TYR A 98 -2.010 7.671 2.653 1.00 0.00 H new ATOM 1559 N PHE A 99 5.266 3.425 3.646 1.00 0.00 N ATOM 1560 CA PHE A 99 6.195 2.335 3.924 1.00 0.00 C ATOM 1561 C PHE A 99 5.472 0.991 3.921 1.00 0.00 C ATOM 1562 O PHE A 99 4.338 0.882 4.386 1.00 0.00 O ATOM 1563 CB PHE A 99 6.882 2.555 5.273 1.00 0.00 C ATOM 1564 CG PHE A 99 8.106 3.421 5.189 1.00 0.00 C ATOM 1565 CD1 PHE A 99 7.991 4.796 5.070 1.00 0.00 C ATOM 1566 CD2 PHE A 99 9.372 2.859 5.227 1.00 0.00 C ATOM 1567 CE1 PHE A 99 9.115 5.596 4.992 1.00 0.00 C ATOM 1568 CE2 PHE A 99 10.500 3.654 5.150 1.00 0.00 C ATOM 1569 CZ PHE A 99 10.372 5.024 5.031 1.00 0.00 C ATOM 0 H PHE A 99 4.360 3.335 4.107 1.00 0.00 H new ATOM 0 HA PHE A 99 6.950 2.323 3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.172 3.010 5.963 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.159 1.588 5.692 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.011 5.249 5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.478 1.788 5.318 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.011 6.667 4.901 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.481 3.204 5.183 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.252 5.647 4.969 1.00 0.00 H new ATOM 1579 N PHE A 100 6.138 -0.031 3.393 1.00 0.00 N ATOM 1580 CA PHE A 100 5.560 -1.368 3.327 1.00 0.00 C ATOM 1581 C PHE A 100 6.631 -2.434 3.538 1.00 0.00 C ATOM 1582 O PHE A 100 7.700 -2.385 2.929 1.00 0.00 O ATOM 1583 CB PHE A 100 4.870 -1.582 1.979 1.00 0.00 C ATOM 1584 CG PHE A 100 4.056 -0.403 1.528 1.00 0.00 C ATOM 1585 CD1 PHE A 100 2.789 -0.181 2.043 1.00 0.00 C ATOM 1586 CD2 PHE A 100 4.558 0.483 0.588 1.00 0.00 C ATOM 1587 CE1 PHE A 100 2.038 0.903 1.631 1.00 0.00 C ATOM 1588 CE2 PHE A 100 3.812 1.569 0.172 1.00 0.00 C ATOM 1589 CZ PHE A 100 2.550 1.779 0.693 1.00 0.00 C ATOM 0 H PHE A 100 7.078 0.041 3.005 1.00 0.00 H new ATOM 0 HA PHE A 100 4.821 -1.457 4.124 1.00 0.00 H new ATOM 0 HB2 PHE A 100 5.625 -1.802 1.224 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.222 -2.456 2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.384 -0.864 2.775 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.543 0.323 0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.052 1.065 2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 100 4.215 2.253 -0.560 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.965 2.626 0.368 1.00 0.00 H new ATOM 1599 N SER A 101 6.337 -3.397 4.406 1.00 0.00 N ATOM 1600 CA SER A 101 7.275 -4.473 4.701 1.00 0.00 C ATOM 1601 C SER A 101 6.704 -5.823 4.278 1.00 0.00 C ATOM 1602 O SER A 101 5.496 -5.968 4.094 1.00 0.00 O ATOM 1603 CB SER A 101 7.608 -4.493 6.194 1.00 0.00 C ATOM 1604 OG SER A 101 8.279 -5.689 6.552 1.00 0.00 O ATOM 0 H SER A 101 5.456 -3.454 4.917 1.00 0.00 H new ATOM 0 HA SER A 101 8.188 -4.291 4.135 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.232 -3.634 6.442 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.691 -4.399 6.775 1.00 0.00 H new ATOM 0 HG SER A 101 9.248 -5.548 6.504 1.00 0.00 H new ATOM 1610 N ALA A 102 7.583 -6.809 4.126 1.00 0.00 N ATOM 1611 CA ALA A 102 7.168 -8.148 3.726 1.00 0.00 C ATOM 1612 C ALA A 102 7.793 -9.208 4.626 1.00 0.00 C ATOM 1613 O ALA A 102 8.969 -9.120 4.979 1.00 0.00 O ATOM 1614 CB ALA A 102 7.536 -8.403 2.272 1.00 0.00 C ATOM 0 H ALA A 102 8.587 -6.705 4.274 1.00 0.00 H new ATOM 0 HA ALA A 102 6.085 -8.212 3.831 1.00 0.00 H new ATOM 0 HB1 ALA A 102 7.220 -9.407 1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 102 7.037 -7.671 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 102 8.615 -8.314 2.149 1.00 0.00 H new ATOM 1620 N GLU A 103 6.999 -10.208 4.995 1.00 0.00 N ATOM 1621 CA GLU A 103 7.476 -11.284 5.855 1.00 0.00 C ATOM 1622 C GLU A 103 8.633 -12.034 5.199 1.00 0.00 C ATOM 1623 O GLU A 103 9.637 -12.335 5.844 1.00 0.00 O ATOM 1624 CB GLU A 103 6.338 -12.257 6.172 1.00 0.00 C ATOM 1625 CG GLU A 103 5.143 -11.598 6.839 1.00 0.00 C ATOM 1626 CD GLU A 103 3.881 -12.432 6.728 1.00 0.00 C ATOM 1627 OE1 GLU A 103 3.758 -13.194 5.747 1.00 0.00 O ATOM 1628 OE2 GLU A 103 3.016 -12.321 7.622 1.00 0.00 O ATOM 0 H GLU A 103 6.023 -10.295 4.712 1.00 0.00 H new ATOM 0 HA GLU A 103 7.834 -10.840 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.011 -12.734 5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.716 -13.047 6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.368 -11.425 7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.970 -10.622 6.385 1.00 0.00 H new ATOM 1635 N SER A 104 8.483 -12.331 3.912 1.00 0.00 N ATOM 1636 CA SER A 104 9.512 -13.049 3.169 1.00 0.00 C ATOM 1637 C SER A 104 10.202 -12.127 2.168 1.00 0.00 C ATOM 1638 O SER A 104 9.594 -11.219 1.600 1.00 0.00 O ATOM 1639 CB SER A 104 8.901 -14.247 2.439 1.00 0.00 C ATOM 1640 OG SER A 104 9.807 -15.336 2.400 1.00 0.00 O ATOM 0 H SER A 104 7.659 -12.086 3.363 1.00 0.00 H new ATOM 0 HA SER A 104 10.256 -13.407 3.880 1.00 0.00 H new ATOM 0 HB2 SER A 104 7.982 -14.552 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 104 8.630 -13.959 1.423 1.00 0.00 H new ATOM 0 HG SER A 104 9.393 -16.090 1.930 1.00 0.00 H new ATOM 1646 N PRO A 105 11.503 -12.364 1.947 1.00 0.00 N ATOM 1647 CA PRO A 105 12.306 -11.567 1.014 1.00 0.00 C ATOM 1648 C PRO A 105 11.914 -11.807 -0.440 1.00 0.00 C ATOM 1649 O PRO A 105 12.235 -11.008 -1.318 1.00 0.00 O ATOM 1650 CB PRO A 105 13.734 -12.053 1.270 1.00 0.00 C ATOM 1651 CG PRO A 105 13.575 -13.434 1.804 1.00 0.00 C ATOM 1652 CD PRO A 105 12.292 -13.429 2.589 1.00 0.00 C ATOM 0 HA PRO A 105 12.171 -10.497 1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 105 14.324 -12.049 0.353 1.00 0.00 H new ATOM 0 HB3 PRO A 105 14.249 -11.410 1.983 1.00 0.00 H new ATOM 0 HG2 PRO A 105 13.535 -14.163 0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 105 14.419 -13.707 2.437 1.00 0.00 H new ATOM 0 HD2 PRO A 105 11.785 -14.392 2.536 1.00 0.00 H new ATOM 0 HD3 PRO A 105 12.467 -13.219 3.644 1.00 0.00 H new ATOM 1660 N GLU A 106 11.217 -12.912 -0.685 1.00 0.00 N ATOM 1661 CA GLU A 106 10.782 -13.256 -2.034 1.00 0.00 C ATOM 1662 C GLU A 106 9.564 -12.431 -2.440 1.00 0.00 C ATOM 1663 O GLU A 106 9.376 -12.123 -3.616 1.00 0.00 O ATOM 1664 CB GLU A 106 10.454 -14.748 -2.123 1.00 0.00 C ATOM 1665 CG GLU A 106 11.643 -15.611 -2.509 1.00 0.00 C ATOM 1666 CD GLU A 106 11.327 -17.094 -2.461 1.00 0.00 C ATOM 1667 OE1 GLU A 106 10.608 -17.577 -3.360 1.00 0.00 O ATOM 1668 OE2 GLU A 106 11.801 -17.770 -1.525 1.00 0.00 O ATOM 0 H GLU A 106 10.942 -13.584 0.032 1.00 0.00 H new ATOM 0 HA GLU A 106 11.598 -13.029 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 106 10.069 -15.085 -1.160 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.658 -14.893 -2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.969 -15.345 -3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 106 12.475 -15.399 -1.837 1.00 0.00 H new ATOM 1675 N GLU A 107 8.742 -12.078 -1.457 1.00 0.00 N ATOM 1676 CA GLU A 107 7.542 -11.290 -1.713 1.00 0.00 C ATOM 1677 C GLU A 107 7.888 -9.814 -1.892 1.00 0.00 C ATOM 1678 O GLU A 107 7.331 -9.136 -2.755 1.00 0.00 O ATOM 1679 CB GLU A 107 6.543 -11.455 -0.566 1.00 0.00 C ATOM 1680 CG GLU A 107 5.868 -12.816 -0.538 1.00 0.00 C ATOM 1681 CD GLU A 107 4.939 -13.032 -1.717 1.00 0.00 C ATOM 1682 OE1 GLU A 107 4.289 -12.055 -2.145 1.00 0.00 O ATOM 1683 OE2 GLU A 107 4.863 -14.176 -2.211 1.00 0.00 O ATOM 0 H GLU A 107 8.885 -12.325 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 107 7.089 -11.654 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.060 -11.296 0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.779 -10.682 -0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 107 6.630 -13.595 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.303 -12.918 0.388 1.00 0.00 H new ATOM 1690 N GLN A 108 8.810 -9.325 -1.069 1.00 0.00 N ATOM 1691 CA GLN A 108 9.229 -7.930 -1.136 1.00 0.00 C ATOM 1692 C GLN A 108 9.630 -7.549 -2.557 1.00 0.00 C ATOM 1693 O GLN A 108 9.015 -6.678 -3.172 1.00 0.00 O ATOM 1694 CB GLN A 108 10.397 -7.680 -0.180 1.00 0.00 C ATOM 1695 CG GLN A 108 11.040 -6.313 -0.349 1.00 0.00 C ATOM 1696 CD GLN A 108 12.483 -6.285 0.115 1.00 0.00 C ATOM 1697 OE1 GLN A 108 13.080 -7.328 0.385 1.00 0.00 O ATOM 1698 NE2 GLN A 108 13.052 -5.089 0.210 1.00 0.00 N ATOM 0 H GLN A 108 9.281 -9.873 -0.349 1.00 0.00 H new ATOM 0 HA GLN A 108 8.384 -7.309 -0.838 1.00 0.00 H new ATOM 0 HB2 GLN A 108 10.044 -7.782 0.846 1.00 0.00 H new ATOM 0 HB3 GLN A 108 11.153 -8.450 -0.335 1.00 0.00 H new ATOM 0 HG2 GLN A 108 10.994 -6.021 -1.398 1.00 0.00 H new ATOM 0 HG3 GLN A 108 10.468 -5.575 0.212 1.00 0.00 H new ATOM 0 HE21 GLN A 108 12.520 -4.251 -0.024 1.00 0.00 H new ATOM 0 HE22 GLN A 108 14.021 -5.008 0.517 1.00 0.00 H new ATOM 1707 N GLU A 109 10.664 -8.207 -3.071 1.00 0.00 N ATOM 1708 CA GLU A 109 11.147 -7.935 -4.420 1.00 0.00 C ATOM 1709 C GLU A 109 10.018 -8.063 -5.438 1.00 0.00 C ATOM 1710 O GLU A 109 9.819 -7.183 -6.275 1.00 0.00 O ATOM 1711 CB GLU A 109 12.285 -8.892 -4.781 1.00 0.00 C ATOM 1712 CG GLU A 109 11.811 -10.192 -5.408 1.00 0.00 C ATOM 1713 CD GLU A 109 12.959 -11.078 -5.852 1.00 0.00 C ATOM 1714 OE1 GLU A 109 13.977 -11.136 -5.132 1.00 0.00 O ATOM 1715 OE2 GLU A 109 12.838 -11.714 -6.920 1.00 0.00 O ATOM 0 H GLU A 109 11.183 -8.931 -2.575 1.00 0.00 H new ATOM 0 HA GLU A 109 11.521 -6.912 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.964 -8.392 -5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.856 -9.120 -3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.195 -10.734 -4.690 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.177 -9.967 -6.266 1.00 0.00 H new ATOM 1722 N ALA A 110 9.281 -9.167 -5.360 1.00 0.00 N ATOM 1723 CA ALA A 110 8.171 -9.411 -6.273 1.00 0.00 C ATOM 1724 C ALA A 110 7.174 -8.258 -6.245 1.00 0.00 C ATOM 1725 O ALA A 110 6.676 -7.830 -7.286 1.00 0.00 O ATOM 1726 CB ALA A 110 7.478 -10.720 -5.923 1.00 0.00 C ATOM 0 H ALA A 110 9.433 -9.906 -4.674 1.00 0.00 H new ATOM 0 HA ALA A 110 8.573 -9.484 -7.284 1.00 0.00 H new ATOM 0 HB1 ALA A 110 6.651 -10.890 -6.613 1.00 0.00 H new ATOM 0 HB2 ALA A 110 8.190 -11.541 -6.002 1.00 0.00 H new ATOM 0 HB3 ALA A 110 7.095 -10.668 -4.904 1.00 0.00 H new ATOM 1732 N TRP A 111 6.886 -7.760 -5.048 1.00 0.00 N ATOM 1733 CA TRP A 111 5.946 -6.657 -4.885 1.00 0.00 C ATOM 1734 C TRP A 111 6.434 -5.413 -5.619 1.00 0.00 C ATOM 1735 O TRP A 111 5.705 -4.828 -6.421 1.00 0.00 O ATOM 1736 CB TRP A 111 5.749 -6.343 -3.401 1.00 0.00 C ATOM 1737 CG TRP A 111 4.625 -7.113 -2.775 1.00 0.00 C ATOM 1738 CD1 TRP A 111 4.732 -8.121 -1.861 1.00 0.00 C ATOM 1739 CD2 TRP A 111 3.225 -6.938 -3.020 1.00 0.00 C ATOM 1740 NE1 TRP A 111 3.483 -8.584 -1.522 1.00 0.00 N ATOM 1741 CE2 TRP A 111 2.542 -7.874 -2.219 1.00 0.00 C ATOM 1742 CE3 TRP A 111 2.483 -6.081 -3.837 1.00 0.00 C ATOM 1743 CZ2 TRP A 111 1.153 -7.975 -2.214 1.00 0.00 C ATOM 1744 CZ3 TRP A 111 1.105 -6.182 -3.830 1.00 0.00 C ATOM 1745 CH2 TRP A 111 0.451 -7.123 -3.023 1.00 0.00 C ATOM 0 H TRP A 111 7.290 -8.102 -4.176 1.00 0.00 H new ATOM 0 HA TRP A 111 4.991 -6.960 -5.316 1.00 0.00 H new ATOM 0 HB2 TRP A 111 6.673 -6.562 -2.865 1.00 0.00 H new ATOM 0 HB3 TRP A 111 5.558 -5.276 -3.285 1.00 0.00 H new ATOM 0 HD1 TRP A 111 5.662 -8.499 -1.463 1.00 0.00 H new ATOM 0 HE1 TRP A 111 3.289 -9.334 -0.859 1.00 0.00 H new ATOM 0 HE3 TRP A 111 2.978 -5.353 -4.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 0.648 -8.700 -1.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 0.522 -5.524 -4.457 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.628 -7.177 -3.040 1.00 0.00 H new ATOM 1756 N ILE A 112 7.671 -5.014 -5.341 1.00 0.00 N ATOM 1757 CA ILE A 112 8.256 -3.841 -5.978 1.00 0.00 C ATOM 1758 C ILE A 112 8.099 -3.901 -7.493 1.00 0.00 C ATOM 1759 O ILE A 112 7.644 -2.943 -8.118 1.00 0.00 O ATOM 1760 CB ILE A 112 9.750 -3.699 -5.633 1.00 0.00 C ATOM 1761 CG1 ILE A 112 9.936 -3.556 -4.121 1.00 0.00 C ATOM 1762 CG2 ILE A 112 10.351 -2.507 -6.362 1.00 0.00 C ATOM 1763 CD1 ILE A 112 11.386 -3.502 -3.693 1.00 0.00 C ATOM 0 H ILE A 112 8.287 -5.486 -4.679 1.00 0.00 H new ATOM 0 HA ILE A 112 7.719 -2.974 -5.594 1.00 0.00 H new ATOM 0 HB ILE A 112 10.270 -4.599 -5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 112 9.432 -2.649 -3.785 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.449 -4.394 -3.622 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.407 -2.420 -6.108 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.247 -2.648 -7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.830 -1.597 -6.063 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.442 -3.400 -2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 112 11.890 -4.419 -3.998 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.873 -2.647 -4.163 1.00 0.00 H new ATOM 1775 N GLN A 113 8.476 -5.034 -8.077 1.00 0.00 N ATOM 1776 CA GLN A 113 8.375 -5.220 -9.520 1.00 0.00 C ATOM 1777 C GLN A 113 7.018 -4.752 -10.035 1.00 0.00 C ATOM 1778 O GLN A 113 6.926 -4.135 -11.096 1.00 0.00 O ATOM 1779 CB GLN A 113 8.593 -6.690 -9.882 1.00 0.00 C ATOM 1780 CG GLN A 113 9.958 -7.221 -9.476 1.00 0.00 C ATOM 1781 CD GLN A 113 10.448 -8.328 -10.388 1.00 0.00 C ATOM 1782 OE1 GLN A 113 11.493 -8.205 -11.028 1.00 0.00 O ATOM 1783 NE2 GLN A 113 9.695 -9.420 -10.452 1.00 0.00 N ATOM 0 H GLN A 113 8.854 -5.837 -7.574 1.00 0.00 H new ATOM 0 HA GLN A 113 9.150 -4.618 -9.994 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.821 -7.292 -9.402 1.00 0.00 H new ATOM 0 HB3 GLN A 113 8.470 -6.813 -10.958 1.00 0.00 H new ATOM 0 HG2 GLN A 113 10.679 -6.403 -9.484 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.909 -7.593 -8.453 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.836 -9.480 -9.905 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.975 -10.199 -11.048 1.00 0.00 H new ATOM 1792 N ALA A 114 5.968 -5.051 -9.278 1.00 0.00 N ATOM 1793 CA ALA A 114 4.616 -4.659 -9.658 1.00 0.00 C ATOM 1794 C ALA A 114 4.331 -3.214 -9.263 1.00 0.00 C ATOM 1795 O ALA A 114 3.988 -2.387 -10.106 1.00 0.00 O ATOM 1796 CB ALA A 114 3.598 -5.593 -9.021 1.00 0.00 C ATOM 0 H ALA A 114 6.027 -5.563 -8.398 1.00 0.00 H new ATOM 0 HA ALA A 114 4.534 -4.734 -10.742 1.00 0.00 H new ATOM 0 HB1 ALA A 114 2.593 -5.289 -9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 114 3.780 -6.614 -9.357 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.690 -5.546 -7.936 1.00 0.00 H new ATOM 1802 N MET A 115 4.475 -2.919 -7.975 1.00 0.00 N ATOM 1803 CA MET A 115 4.234 -1.573 -7.469 1.00 0.00 C ATOM 1804 C MET A 115 5.129 -0.558 -8.174 1.00 0.00 C ATOM 1805 O MET A 115 4.646 0.318 -8.890 1.00 0.00 O ATOM 1806 CB MET A 115 4.476 -1.521 -5.959 1.00 0.00 C ATOM 1807 CG MET A 115 3.314 -2.057 -5.139 1.00 0.00 C ATOM 1808 SD MET A 115 3.363 -1.508 -3.422 1.00 0.00 S ATOM 1809 CE MET A 115 2.742 -2.964 -2.583 1.00 0.00 C ATOM 0 H MET A 115 4.757 -3.593 -7.264 1.00 0.00 H new ATOM 0 HA MET A 115 3.194 -1.317 -7.672 1.00 0.00 H new ATOM 0 HB2 MET A 115 5.372 -2.095 -5.723 1.00 0.00 H new ATOM 0 HB3 MET A 115 4.672 -0.490 -5.666 1.00 0.00 H new ATOM 0 HG2 MET A 115 2.376 -1.736 -5.592 1.00 0.00 H new ATOM 0 HG3 MET A 115 3.326 -3.147 -5.168 1.00 0.00 H new ATOM 0 HE1 MET A 115 2.511 -2.716 -1.547 1.00 0.00 H new ATOM 0 HE2 MET A 115 1.838 -3.314 -3.082 1.00 0.00 H new ATOM 0 HE3 MET A 115 3.498 -3.749 -2.609 1.00 0.00 H new ATOM 1819 N GLY A 116 6.436 -0.683 -7.965 1.00 0.00 N ATOM 1820 CA GLY A 116 7.377 0.231 -8.587 1.00 0.00 C ATOM 1821 C GLY A 116 6.970 0.611 -9.997 1.00 0.00 C ATOM 1822 O GLY A 116 6.946 1.790 -10.346 1.00 0.00 O ATOM 0 H GLY A 116 6.860 -1.400 -7.377 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.458 1.133 -7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.365 -0.229 -8.609 1.00 0.00 H new ATOM 1826 N GLU A 117 6.651 -0.392 -10.810 1.00 0.00 N ATOM 1827 CA GLU A 117 6.246 -0.156 -12.191 1.00 0.00 C ATOM 1828 C GLU A 117 4.892 0.546 -12.248 1.00 0.00 C ATOM 1829 O GLU A 117 4.774 1.648 -12.782 1.00 0.00 O ATOM 1830 CB GLU A 117 6.181 -1.477 -12.960 1.00 0.00 C ATOM 1831 CG GLU A 117 7.500 -1.871 -13.604 1.00 0.00 C ATOM 1832 CD GLU A 117 7.683 -1.261 -14.980 1.00 0.00 C ATOM 1833 OE1 GLU A 117 6.727 -1.312 -15.782 1.00 0.00 O ATOM 1834 OE2 GLU A 117 8.780 -0.733 -15.254 1.00 0.00 O ATOM 0 H GLU A 117 6.665 -1.374 -10.536 1.00 0.00 H new ATOM 0 HA GLU A 117 6.991 0.490 -12.656 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.867 -2.269 -12.280 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.417 -1.400 -13.734 1.00 0.00 H new ATOM 0 HG2 GLU A 117 8.322 -1.558 -12.960 1.00 0.00 H new ATOM 0 HG3 GLU A 117 7.552 -2.957 -13.682 1.00 0.00 H new ATOM 1841 N ALA A 118 3.872 -0.102 -11.694 1.00 0.00 N ATOM 1842 CA ALA A 118 2.527 0.459 -11.681 1.00 0.00 C ATOM 1843 C ALA A 118 2.528 1.872 -11.108 1.00 0.00 C ATOM 1844 O ALA A 118 1.581 2.633 -11.308 1.00 0.00 O ATOM 1845 CB ALA A 118 1.590 -0.436 -10.882 1.00 0.00 C ATOM 0 H ALA A 118 3.952 -1.016 -11.248 1.00 0.00 H new ATOM 0 HA ALA A 118 2.172 0.512 -12.710 1.00 0.00 H new ATOM 0 HB1 ALA A 118 0.589 -0.005 -10.880 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.558 -1.427 -11.336 1.00 0.00 H new ATOM 0 HB3 ALA A 118 1.951 -0.518 -9.857 1.00 0.00 H new ATOM 1851 N ALA A 119 3.595 2.216 -10.395 1.00 0.00 N ATOM 1852 CA ALA A 119 3.719 3.539 -9.795 1.00 0.00 C ATOM 1853 C ALA A 119 4.413 4.510 -10.744 1.00 0.00 C ATOM 1854 O ALA A 119 3.993 5.657 -10.890 1.00 0.00 O ATOM 1855 CB ALA A 119 4.476 3.452 -8.478 1.00 0.00 C ATOM 0 H ALA A 119 4.386 1.597 -10.219 1.00 0.00 H new ATOM 0 HA ALA A 119 2.716 3.918 -9.600 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.561 4.447 -8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 119 3.938 2.799 -7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 119 5.472 3.048 -8.657 1.00 0.00 H new ATOM 1861 N ARG A 120 5.479 4.042 -11.385 1.00 0.00 N ATOM 1862 CA ARG A 120 6.233 4.870 -12.319 1.00 0.00 C ATOM 1863 C ARG A 120 5.408 5.172 -13.567 1.00 0.00 C ATOM 1864 O ARG A 120 4.620 4.341 -14.019 1.00 0.00 O ATOM 1865 CB ARG A 120 7.537 4.174 -12.712 1.00 0.00 C ATOM 1866 CG ARG A 120 7.385 3.207 -13.875 1.00 0.00 C ATOM 1867 CD ARG A 120 8.702 2.525 -14.209 1.00 0.00 C ATOM 1868 NE ARG A 120 9.160 1.658 -13.127 1.00 0.00 N ATOM 1869 CZ ARG A 120 9.864 2.090 -12.087 1.00 0.00 C ATOM 1870 NH1 ARG A 120 10.190 3.372 -11.989 1.00 0.00 N ATOM 1871 NH2 ARG A 120 10.244 1.240 -11.141 1.00 0.00 N ATOM 0 H ARG A 120 5.840 3.094 -11.275 1.00 0.00 H new ATOM 0 HA ARG A 120 6.467 5.812 -11.823 1.00 0.00 H new ATOM 0 HB2 ARG A 120 8.278 4.930 -12.973 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.925 3.633 -11.849 1.00 0.00 H new ATOM 0 HG2 ARG A 120 6.637 2.454 -13.628 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.020 3.744 -14.751 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.585 1.937 -15.119 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.460 3.281 -14.413 1.00 0.00 H new ATOM 0 HE ARG A 120 8.926 0.666 -13.172 1.00 0.00 H new ATOM 0 HH11 ARG A 120 9.900 4.029 -12.713 1.00 0.00 H new ATOM 0 HH12 ARG A 120 10.731 3.701 -11.189 1.00 0.00 H new ATOM 0 HH21 ARG A 120 9.995 0.253 -11.212 1.00 0.00 H new ATOM 0 HH22 ARG A 120 10.785 1.573 -10.343 1.00 0.00 H new