USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 768 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 47 HIS :FLIP no HD1:sc= -0.426 F(o=-2.4!,f=-0.092) USER MOD Set 1.2: A 60 CYS SG : rot -103:sc= 0.334 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 143:sc= 0.172 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot -15:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -1.22 K(o=-1.2,f=-8.2!) USER MOD Single : A 71 TYR OH : rot -15:sc= 0 USER MOD Single : A 73 HIS :FLIP no HD1:sc= 0.00418 F(o=-0.5,f=0.0042) USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0995 K(o=-0.1,f=-1.2!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.367 K(o=-0.37,f=-0.9) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 93 THR OG1 : rot 70:sc= 0.543 USER MOD Single : A 96 GLN : amide:sc= -6.6! C(o=-6.6!,f=-12!) USER MOD Single : A 100 HIS : no HD1:sc= -0.277 K(o=-0.28,f=-1.1) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -125:sc= -1.66 (180deg=-2.91) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -153:sc= 0.00369 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 108 N TRP A 11 0.589 23.000 3.327 1.00 0.00 N ATOM 109 CA TRP A 11 0.261 21.598 3.095 1.00 0.00 C ATOM 110 C TRP A 11 1.069 20.689 4.014 1.00 0.00 C ATOM 111 O TRP A 11 2.300 20.699 3.987 1.00 0.00 O ATOM 112 CB TRP A 11 0.520 21.227 1.634 1.00 0.00 C ATOM 113 CG TRP A 11 -0.351 20.112 1.140 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.283 19.420 1.859 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.370 19.560 -0.181 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.880 18.471 1.065 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.338 18.537 -0.191 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.335 19.831 -1.356 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.616 17.786 -1.330 1.00 0.00 C ATOM 120 CZ3 TRP A 11 0.058 19.085 -2.486 1.00 0.00 C ATOM 121 CH2 TRP A 11 -0.911 18.073 -2.467 1.00 0.00 C ATOM 0 HA TRP A 11 -0.797 21.458 3.316 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.361 22.106 1.010 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.565 20.940 1.520 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.517 19.593 2.899 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.609 17.822 1.363 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.083 20.610 -1.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.362 17.005 -1.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.598 19.286 -3.400 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.105 17.509 -3.367 1.00 0.00 H new ATOM 132 N VAL A 12 0.370 19.905 4.829 1.00 0.00 N ATOM 133 CA VAL A 12 1.024 18.990 5.756 1.00 0.00 C ATOM 134 C VAL A 12 1.521 17.741 5.037 1.00 0.00 C ATOM 135 O VAL A 12 2.527 17.146 5.426 1.00 0.00 O ATOM 136 CB VAL A 12 0.075 18.570 6.894 1.00 0.00 C ATOM 137 CG1 VAL A 12 -1.004 17.633 6.371 1.00 0.00 C ATOM 138 CG2 VAL A 12 0.855 17.918 8.026 1.00 0.00 C ATOM 0 H VAL A 12 -0.649 19.886 4.866 1.00 0.00 H new ATOM 0 HA VAL A 12 1.874 19.524 6.180 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.411 19.463 7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.665 17.347 7.189 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.582 18.139 5.598 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.539 16.741 5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.168 17.628 8.821 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.370 17.034 7.651 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.586 18.625 8.418 1.00 0.00 H new ATOM 148 N LEU A 13 0.811 17.349 3.985 1.00 0.00 N ATOM 149 CA LEU A 13 1.180 16.169 3.210 1.00 0.00 C ATOM 150 C LEU A 13 2.683 16.136 2.952 1.00 0.00 C ATOM 151 O LEU A 13 3.386 15.209 3.354 1.00 0.00 O ATOM 152 CB LEU A 13 0.422 16.152 1.881 1.00 0.00 C ATOM 153 CG LEU A 13 1.167 15.544 0.692 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.304 14.039 0.860 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.452 15.874 -0.610 1.00 0.00 C ATOM 0 H LEU A 13 -0.023 17.830 3.649 1.00 0.00 H new ATOM 0 HA LEU A 13 0.910 15.285 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.507 15.600 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.149 17.177 1.628 1.00 0.00 H new ATOM 0 HG LEU A 13 2.167 15.977 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.837 13.624 0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.860 13.824 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.314 13.588 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.996 15.433 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.560 15.470 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.407 16.956 -0.736 1.00 0.00 H new ATOM 167 N PRO A 14 3.189 17.171 2.266 1.00 0.00 N ATOM 168 CA PRO A 14 4.614 17.285 1.941 1.00 0.00 C ATOM 169 C PRO A 14 5.469 17.557 3.174 1.00 0.00 C ATOM 170 O PRO A 14 6.686 17.368 3.151 1.00 0.00 O ATOM 171 CB PRO A 14 4.665 18.476 0.981 1.00 0.00 C ATOM 172 CG PRO A 14 3.466 19.291 1.324 1.00 0.00 C ATOM 173 CD PRO A 14 2.409 18.311 1.755 1.00 0.00 C ATOM 0 HA PRO A 14 5.011 16.362 1.518 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.583 19.049 1.110 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.637 18.148 -0.058 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.690 19.999 2.122 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.131 19.874 0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.761 18.731 2.524 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.768 18.019 0.923 1.00 0.00 H new ATOM 181 N SER A 15 4.826 18.000 4.249 1.00 0.00 N ATOM 182 CA SER A 15 5.529 18.301 5.491 1.00 0.00 C ATOM 183 C SER A 15 5.868 17.020 6.247 1.00 0.00 C ATOM 184 O SER A 15 6.845 16.968 6.993 1.00 0.00 O ATOM 185 CB SER A 15 4.680 19.219 6.372 1.00 0.00 C ATOM 186 OG SER A 15 5.497 20.031 7.198 1.00 0.00 O ATOM 0 H SER A 15 3.819 18.159 4.285 1.00 0.00 H new ATOM 0 HA SER A 15 6.459 18.810 5.240 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.050 19.850 5.745 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.013 18.619 6.992 1.00 0.00 H new ATOM 0 HG SER A 15 4.931 20.610 7.750 1.00 0.00 H new ATOM 192 N GLU A 16 5.052 15.989 6.048 1.00 0.00 N ATOM 193 CA GLU A 16 5.264 14.709 6.712 1.00 0.00 C ATOM 194 C GLU A 16 6.152 13.799 5.868 1.00 0.00 C ATOM 195 O GLU A 16 7.010 13.088 6.393 1.00 0.00 O ATOM 196 CB GLU A 16 3.924 14.022 6.985 1.00 0.00 C ATOM 197 CG GLU A 16 4.064 12.619 7.551 1.00 0.00 C ATOM 198 CD GLU A 16 4.585 12.614 8.975 1.00 0.00 C ATOM 199 OE1 GLU A 16 4.387 13.622 9.684 1.00 0.00 O ATOM 200 OE2 GLU A 16 5.193 11.600 9.380 1.00 0.00 O ATOM 0 H GLU A 16 4.239 16.016 5.433 1.00 0.00 H new ATOM 0 HA GLU A 16 5.766 14.900 7.661 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.349 14.631 7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.353 13.975 6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.095 12.121 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.739 12.042 6.919 1.00 0.00 H new ATOM 207 N VAL A 17 5.940 13.826 4.556 1.00 0.00 N ATOM 208 CA VAL A 17 6.720 13.005 3.638 1.00 0.00 C ATOM 209 C VAL A 17 8.202 13.037 3.996 1.00 0.00 C ATOM 210 O VAL A 17 8.871 12.005 4.004 1.00 0.00 O ATOM 211 CB VAL A 17 6.545 13.471 2.181 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.498 12.721 1.262 1.00 0.00 C ATOM 213 CG2 VAL A 17 5.103 13.286 1.733 1.00 0.00 C ATOM 0 H VAL A 17 5.234 14.408 4.105 1.00 0.00 H new ATOM 0 HA VAL A 17 6.348 11.985 3.732 1.00 0.00 H new ATOM 0 HB VAL A 17 6.786 14.533 2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.360 13.064 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.526 12.909 1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.292 11.652 1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.997 13.620 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.833 12.232 1.803 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.445 13.873 2.374 1.00 0.00 H new ATOM 223 N GLU A 18 8.708 14.230 4.293 1.00 0.00 N ATOM 224 CA GLU A 18 10.111 14.397 4.651 1.00 0.00 C ATOM 225 C GLU A 18 10.492 13.471 5.803 1.00 0.00 C ATOM 226 O GLU A 18 11.584 12.903 5.823 1.00 0.00 O ATOM 227 CB GLU A 18 10.393 15.851 5.037 1.00 0.00 C ATOM 228 CG GLU A 18 10.124 16.841 3.916 1.00 0.00 C ATOM 229 CD GLU A 18 10.701 18.214 4.199 1.00 0.00 C ATOM 230 OE1 GLU A 18 11.894 18.429 3.902 1.00 0.00 O ATOM 231 OE2 GLU A 18 9.958 19.073 4.718 1.00 0.00 O ATOM 0 H GLU A 18 8.167 15.095 4.293 1.00 0.00 H new ATOM 0 HA GLU A 18 10.715 14.136 3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.780 16.115 5.899 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.434 15.940 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.548 16.457 2.988 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.048 16.928 3.763 1.00 0.00 H new ATOM 238 N VAL A 19 9.583 13.323 6.761 1.00 0.00 N ATOM 239 CA VAL A 19 9.822 12.466 7.916 1.00 0.00 C ATOM 240 C VAL A 19 9.723 10.993 7.537 1.00 0.00 C ATOM 241 O VAL A 19 10.470 10.157 8.048 1.00 0.00 O ATOM 242 CB VAL A 19 8.823 12.762 9.051 1.00 0.00 C ATOM 243 CG1 VAL A 19 9.087 11.857 10.244 1.00 0.00 C ATOM 244 CG2 VAL A 19 8.895 14.226 9.455 1.00 0.00 C ATOM 0 H VAL A 19 8.674 13.786 6.760 1.00 0.00 H new ATOM 0 HA VAL A 19 10.832 12.681 8.266 1.00 0.00 H new ATOM 0 HB VAL A 19 7.816 12.559 8.688 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.372 12.081 11.036 1.00 0.00 H new ATOM 0 HG12 VAL A 19 8.979 10.815 9.941 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.099 12.025 10.611 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.183 14.417 10.258 1.00 0.00 H new ATOM 0 HG22 VAL A 19 9.902 14.459 9.800 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.652 14.853 8.597 1.00 0.00 H new ATOM 254 N LEU A 20 8.796 10.680 6.639 1.00 0.00 N ATOM 255 CA LEU A 20 8.598 9.306 6.190 1.00 0.00 C ATOM 256 C LEU A 20 9.803 8.815 5.394 1.00 0.00 C ATOM 257 O LEU A 20 10.439 7.827 5.761 1.00 0.00 O ATOM 258 CB LEU A 20 7.333 9.205 5.336 1.00 0.00 C ATOM 259 CG LEU A 20 6.021 9.562 6.035 1.00 0.00 C ATOM 260 CD1 LEU A 20 4.872 9.573 5.039 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.738 8.587 7.168 1.00 0.00 C ATOM 0 H LEU A 20 8.169 11.359 6.207 1.00 0.00 H new ATOM 0 HA LEU A 20 8.485 8.674 7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.450 9.858 4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.254 8.186 4.958 1.00 0.00 H new ATOM 0 HG LEU A 20 6.117 10.562 6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.946 9.829 5.554 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.071 10.311 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.774 8.587 4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.800 8.856 7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.662 7.576 6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.549 8.629 7.895 1.00 0.00 H new ATOM 273 N GLU A 21 10.112 9.513 4.306 1.00 0.00 N ATOM 274 CA GLU A 21 11.243 9.147 3.461 1.00 0.00 C ATOM 275 C GLU A 21 12.430 8.693 4.305 1.00 0.00 C ATOM 276 O GLU A 21 13.045 7.664 4.028 1.00 0.00 O ATOM 277 CB GLU A 21 11.652 10.329 2.579 1.00 0.00 C ATOM 278 CG GLU A 21 10.874 10.415 1.277 1.00 0.00 C ATOM 279 CD GLU A 21 11.489 9.577 0.173 1.00 0.00 C ATOM 280 OE1 GLU A 21 11.585 8.344 0.348 1.00 0.00 O ATOM 281 OE2 GLU A 21 11.874 10.153 -0.866 1.00 0.00 O ATOM 0 H GLU A 21 9.596 10.334 3.989 1.00 0.00 H new ATOM 0 HA GLU A 21 10.934 8.317 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.512 11.254 3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.715 10.252 2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.849 10.087 1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.826 11.455 0.955 1.00 0.00 H new ATOM 288 N SER A 22 12.746 9.470 5.336 1.00 0.00 N ATOM 289 CA SER A 22 13.862 9.152 6.219 1.00 0.00 C ATOM 290 C SER A 22 13.797 7.697 6.674 1.00 0.00 C ATOM 291 O SER A 22 14.814 7.005 6.725 1.00 0.00 O ATOM 292 CB SER A 22 13.858 10.079 7.436 1.00 0.00 C ATOM 293 OG SER A 22 15.003 9.867 8.243 1.00 0.00 O ATOM 0 H SER A 22 12.245 10.324 5.580 1.00 0.00 H new ATOM 0 HA SER A 22 14.787 9.300 5.662 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.829 11.117 7.106 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.957 9.907 8.025 1.00 0.00 H new ATOM 0 HG SER A 22 14.977 10.473 9.013 1.00 0.00 H new ATOM 299 N ILE A 23 12.593 7.240 7.004 1.00 0.00 N ATOM 300 CA ILE A 23 12.394 5.868 7.453 1.00 0.00 C ATOM 301 C ILE A 23 12.232 4.920 6.270 1.00 0.00 C ATOM 302 O ILE A 23 12.971 3.944 6.137 1.00 0.00 O ATOM 303 CB ILE A 23 11.159 5.748 8.366 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.313 6.653 9.590 1.00 0.00 C ATOM 305 CG2 ILE A 23 10.954 4.302 8.792 1.00 0.00 C ATOM 306 CD1 ILE A 23 9.995 7.046 10.220 1.00 0.00 C ATOM 0 H ILE A 23 11.741 7.800 6.969 1.00 0.00 H new ATOM 0 HA ILE A 23 13.283 5.589 8.019 1.00 0.00 H new ATOM 0 HB ILE A 23 10.280 6.070 7.808 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.925 6.143 10.334 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.851 7.555 9.299 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.078 4.233 9.437 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.805 3.680 7.909 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.833 3.955 9.336 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.180 7.687 11.082 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.389 7.584 9.491 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.464 6.150 10.542 1.00 0.00 H new ATOM 318 N TYR A 24 11.262 5.215 5.412 1.00 0.00 N ATOM 319 CA TYR A 24 11.002 4.388 4.239 1.00 0.00 C ATOM 320 C TYR A 24 11.716 4.946 3.011 1.00 0.00 C ATOM 321 O TYR A 24 11.142 5.015 1.923 1.00 0.00 O ATOM 322 CB TYR A 24 9.498 4.301 3.974 1.00 0.00 C ATOM 323 CG TYR A 24 8.680 4.016 5.213 1.00 0.00 C ATOM 324 CD1 TYR A 24 8.865 2.845 5.937 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.723 4.919 5.660 1.00 0.00 C ATOM 326 CE1 TYR A 24 8.119 2.580 7.069 1.00 0.00 C ATOM 327 CE2 TYR A 24 6.974 4.663 6.792 1.00 0.00 C ATOM 328 CZ TYR A 24 7.175 3.492 7.493 1.00 0.00 C ATOM 329 OH TYR A 24 6.431 3.233 8.621 1.00 0.00 O ATOM 0 H TYR A 24 10.643 6.020 5.506 1.00 0.00 H new ATOM 0 HA TYR A 24 11.387 3.388 4.437 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.160 5.239 3.534 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.312 3.519 3.238 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.605 2.130 5.609 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.562 5.836 5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 24 8.274 1.664 7.619 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.235 5.376 7.127 1.00 0.00 H new ATOM 0 HH TYR A 24 6.292 4.065 9.119 1.00 0.00 H new ATOM 339 N LEU A 25 12.971 5.341 3.193 1.00 0.00 N ATOM 340 CA LEU A 25 13.765 5.892 2.100 1.00 0.00 C ATOM 341 C LEU A 25 13.457 5.177 0.789 1.00 0.00 C ATOM 342 O LEU A 25 12.895 5.767 -0.134 1.00 0.00 O ATOM 343 CB LEU A 25 15.257 5.777 2.420 1.00 0.00 C ATOM 344 CG LEU A 25 15.754 6.599 3.609 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.070 6.043 4.129 1.00 0.00 C ATOM 346 CD2 LEU A 25 15.907 8.062 3.220 1.00 0.00 C ATOM 0 H LEU A 25 13.461 5.290 4.086 1.00 0.00 H new ATOM 0 HA LEU A 25 13.504 6.944 1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.488 4.728 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.822 6.075 1.537 1.00 0.00 H new ATOM 0 HG LEU A 25 15.014 6.532 4.407 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.409 6.641 4.975 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.928 5.010 4.448 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.818 6.079 3.337 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.262 8.632 4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.626 8.149 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.943 8.455 2.897 1.00 0.00 H new ATOM 358 N ASP A 26 13.828 3.904 0.714 1.00 0.00 N ATOM 359 CA ASP A 26 13.589 3.106 -0.483 1.00 0.00 C ATOM 360 C ASP A 26 12.284 2.325 -0.364 1.00 0.00 C ATOM 361 O ASP A 26 11.465 2.324 -1.282 1.00 0.00 O ATOM 362 CB ASP A 26 14.754 2.145 -0.722 1.00 0.00 C ATOM 363 CG ASP A 26 14.398 1.034 -1.691 1.00 0.00 C ATOM 364 OD1 ASP A 26 13.649 1.303 -2.653 1.00 0.00 O ATOM 365 OD2 ASP A 26 14.868 -0.105 -1.487 1.00 0.00 O ATOM 0 H ASP A 26 14.296 3.402 1.469 1.00 0.00 H new ATOM 0 HA ASP A 26 13.509 3.785 -1.332 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.607 2.702 -1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.063 1.709 0.228 1.00 0.00 H new ATOM 370 N GLU A 27 12.100 1.661 0.773 1.00 0.00 N ATOM 371 CA GLU A 27 10.895 0.874 1.010 1.00 0.00 C ATOM 372 C GLU A 27 9.679 1.535 0.368 1.00 0.00 C ATOM 373 O GLU A 27 8.819 0.860 -0.201 1.00 0.00 O ATOM 374 CB GLU A 27 10.661 0.699 2.512 1.00 0.00 C ATOM 375 CG GLU A 27 11.813 0.018 3.232 1.00 0.00 C ATOM 376 CD GLU A 27 11.892 -1.466 2.933 1.00 0.00 C ATOM 377 OE1 GLU A 27 10.870 -2.163 3.108 1.00 0.00 O ATOM 378 OE2 GLU A 27 12.976 -1.931 2.522 1.00 0.00 O ATOM 0 H GLU A 27 12.769 1.652 1.543 1.00 0.00 H new ATOM 0 HA GLU A 27 11.036 -0.106 0.555 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.490 1.677 2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.753 0.116 2.664 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.750 0.494 2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.701 0.163 4.307 1.00 0.00 H new ATOM 385 N LEU A 28 9.612 2.858 0.463 1.00 0.00 N ATOM 386 CA LEU A 28 8.501 3.612 -0.107 1.00 0.00 C ATOM 387 C LEU A 28 9.009 4.783 -0.942 1.00 0.00 C ATOM 388 O LEU A 28 10.040 5.378 -0.630 1.00 0.00 O ATOM 389 CB LEU A 28 7.582 4.123 1.004 1.00 0.00 C ATOM 390 CG LEU A 28 6.714 5.332 0.653 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.412 5.299 1.438 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.468 6.626 0.921 1.00 0.00 C ATOM 0 H LEU A 28 10.315 3.431 0.930 1.00 0.00 H new ATOM 0 HA LEU A 28 7.937 2.944 -0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.927 3.307 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.196 4.380 1.867 1.00 0.00 H new ATOM 0 HG LEU A 28 6.475 5.288 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.807 6.167 1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.864 4.388 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.630 5.318 2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.835 7.476 0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.737 6.678 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.373 6.652 0.314 1.00 0.00 H new ATOM 404 N GLN A 29 8.277 5.108 -2.003 1.00 0.00 N ATOM 405 CA GLN A 29 8.654 6.209 -2.881 1.00 0.00 C ATOM 406 C GLN A 29 7.540 7.248 -2.960 1.00 0.00 C ATOM 407 O GLN A 29 6.357 6.907 -2.961 1.00 0.00 O ATOM 408 CB GLN A 29 8.977 5.685 -4.281 1.00 0.00 C ATOM 409 CG GLN A 29 10.435 5.292 -4.462 1.00 0.00 C ATOM 410 CD GLN A 29 10.618 4.174 -5.469 1.00 0.00 C ATOM 411 OE1 GLN A 29 10.876 4.420 -6.648 1.00 0.00 O ATOM 412 NE2 GLN A 29 10.485 2.935 -5.009 1.00 0.00 N ATOM 0 H GLN A 29 7.421 4.625 -2.275 1.00 0.00 H new ATOM 0 HA GLN A 29 9.542 6.685 -2.464 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.347 4.820 -4.490 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.722 6.450 -5.014 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.005 6.163 -4.785 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.845 4.981 -3.501 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.271 2.777 -4.024 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.597 2.142 -5.640 1.00 0.00 H new ATOM 421 N VAL A 30 7.926 8.519 -3.024 1.00 0.00 N ATOM 422 CA VAL A 30 6.960 9.608 -3.103 1.00 0.00 C ATOM 423 C VAL A 30 7.118 10.389 -4.402 1.00 0.00 C ATOM 424 O VAL A 30 8.235 10.665 -4.840 1.00 0.00 O ATOM 425 CB VAL A 30 7.107 10.576 -1.914 1.00 0.00 C ATOM 426 CG1 VAL A 30 6.351 11.869 -2.181 1.00 0.00 C ATOM 427 CG2 VAL A 30 6.621 9.920 -0.630 1.00 0.00 C ATOM 0 H VAL A 30 8.901 8.819 -3.023 1.00 0.00 H new ATOM 0 HA VAL A 30 5.969 9.155 -3.073 1.00 0.00 H new ATOM 0 HB VAL A 30 8.163 10.819 -1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.466 12.540 -1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.750 12.346 -3.076 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.294 11.649 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.732 10.618 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.571 9.646 -0.736 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.211 9.025 -0.433 1.00 0.00 H new ATOM 437 N ILE A 31 5.993 10.743 -5.014 1.00 0.00 N ATOM 438 CA ILE A 31 6.007 11.494 -6.263 1.00 0.00 C ATOM 439 C ILE A 31 5.094 12.713 -6.182 1.00 0.00 C ATOM 440 O ILE A 31 3.872 12.583 -6.094 1.00 0.00 O ATOM 441 CB ILE A 31 5.569 10.617 -7.452 1.00 0.00 C ATOM 442 CG1 ILE A 31 6.475 9.390 -7.569 1.00 0.00 C ATOM 443 CG2 ILE A 31 5.593 11.424 -8.742 1.00 0.00 C ATOM 444 CD1 ILE A 31 6.511 8.795 -8.959 1.00 0.00 C ATOM 0 H ILE A 31 5.060 10.522 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 31 7.034 11.822 -6.422 1.00 0.00 H new ATOM 0 HB ILE A 31 4.548 10.277 -7.277 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.487 9.667 -7.275 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.135 8.629 -6.866 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.281 10.791 -9.573 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.911 12.270 -8.655 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.604 11.790 -8.924 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.173 7.929 -8.967 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.507 8.487 -9.249 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.880 9.540 -9.664 1.00 0.00 H new ATOM 569 N TRP A 40 -0.822 13.891 -5.315 1.00 0.00 N ATOM 570 CA TRP A 40 0.488 13.277 -5.123 1.00 0.00 C ATOM 571 C TRP A 40 0.394 11.757 -5.204 1.00 0.00 C ATOM 572 O TRP A 40 -0.566 11.160 -4.719 1.00 0.00 O ATOM 573 CB TRP A 40 1.076 13.693 -3.774 1.00 0.00 C ATOM 574 CG TRP A 40 1.711 15.050 -3.796 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.290 16.141 -4.501 1.00 0.00 C ATOM 576 CD2 TRP A 40 2.882 15.460 -3.082 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.129 17.204 -4.269 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.113 16.813 -3.401 1.00 0.00 C ATOM 579 CE3 TRP A 40 3.757 14.817 -2.202 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.183 17.530 -2.872 1.00 0.00 C ATOM 581 CZ3 TRP A 40 4.819 15.530 -1.678 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.024 16.875 -2.013 1.00 0.00 C ATOM 0 HA TRP A 40 1.145 13.624 -5.920 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.287 13.681 -3.023 1.00 0.00 H new ATOM 0 HB3 TRP A 40 1.819 12.957 -3.467 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.424 16.165 -5.146 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.034 18.134 -4.677 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.606 13.781 -1.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.344 18.566 -3.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.502 15.042 -0.999 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.862 17.405 -1.585 1.00 0.00 H new ATOM 593 N GLU A 41 1.397 11.139 -5.819 1.00 0.00 N ATOM 594 CA GLU A 41 1.425 9.688 -5.962 1.00 0.00 C ATOM 595 C GLU A 41 2.537 9.078 -5.113 1.00 0.00 C ATOM 596 O GLU A 41 3.668 9.563 -5.113 1.00 0.00 O ATOM 597 CB GLU A 41 1.620 9.302 -7.430 1.00 0.00 C ATOM 598 CG GLU A 41 0.979 7.976 -7.802 1.00 0.00 C ATOM 599 CD GLU A 41 0.585 7.907 -9.265 1.00 0.00 C ATOM 600 OE1 GLU A 41 1.198 8.629 -10.079 1.00 0.00 O ATOM 601 OE2 GLU A 41 -0.336 7.131 -9.595 1.00 0.00 O ATOM 0 H GLU A 41 2.200 11.619 -6.226 1.00 0.00 H new ATOM 0 HA GLU A 41 0.469 9.296 -5.614 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.204 10.087 -8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.687 9.253 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.673 7.166 -7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.095 7.818 -7.184 1.00 0.00 H new ATOM 608 N ILE A 42 2.205 8.014 -4.390 1.00 0.00 N ATOM 609 CA ILE A 42 3.174 7.338 -3.537 1.00 0.00 C ATOM 610 C ILE A 42 3.069 5.823 -3.678 1.00 0.00 C ATOM 611 O ILE A 42 1.971 5.269 -3.725 1.00 0.00 O ATOM 612 CB ILE A 42 2.983 7.719 -2.057 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.224 9.217 -1.858 1.00 0.00 C ATOM 614 CG2 ILE A 42 3.919 6.905 -1.176 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.661 9.752 -0.560 1.00 0.00 C ATOM 0 H ILE A 42 1.272 7.602 -4.378 1.00 0.00 H new ATOM 0 HA ILE A 42 4.162 7.663 -3.863 1.00 0.00 H new ATOM 0 HB ILE A 42 1.956 7.494 -1.769 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.296 9.411 -1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.778 9.762 -2.690 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.772 7.185 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.704 5.844 -1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.952 7.102 -1.463 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.869 10.819 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.583 9.589 -0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.125 9.233 0.279 1.00 0.00 H new ATOM 627 N TYR A 43 4.218 5.160 -3.743 1.00 0.00 N ATOM 628 CA TYR A 43 4.256 3.709 -3.879 1.00 0.00 C ATOM 629 C TYR A 43 4.943 3.066 -2.679 1.00 0.00 C ATOM 630 O TYR A 43 5.785 3.686 -2.027 1.00 0.00 O ATOM 631 CB TYR A 43 4.981 3.315 -5.167 1.00 0.00 C ATOM 632 CG TYR A 43 4.595 4.158 -6.362 1.00 0.00 C ATOM 633 CD1 TYR A 43 3.304 4.122 -6.874 1.00 0.00 C ATOM 634 CD2 TYR A 43 5.521 4.990 -6.978 1.00 0.00 C ATOM 635 CE1 TYR A 43 2.947 4.890 -7.965 1.00 0.00 C ATOM 636 CE2 TYR A 43 5.173 5.762 -8.069 1.00 0.00 C ATOM 637 CZ TYR A 43 3.884 5.709 -8.559 1.00 0.00 C ATOM 638 OH TYR A 43 3.533 6.476 -9.646 1.00 0.00 O ATOM 0 H TYR A 43 5.135 5.604 -3.704 1.00 0.00 H new ATOM 0 HA TYR A 43 3.229 3.348 -3.923 1.00 0.00 H new ATOM 0 HB2 TYR A 43 6.056 3.396 -5.008 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.769 2.269 -5.388 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.567 3.483 -6.411 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.531 5.034 -6.597 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.939 4.849 -8.351 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.906 6.404 -8.536 1.00 0.00 H new ATOM 0 HH TYR A 43 2.683 6.154 -10.013 1.00 0.00 H new ATOM 648 N ILE A 44 4.580 1.821 -2.393 1.00 0.00 N ATOM 649 CA ILE A 44 5.162 1.093 -1.272 1.00 0.00 C ATOM 650 C ILE A 44 4.808 -0.389 -1.335 1.00 0.00 C ATOM 651 O ILE A 44 3.634 -0.761 -1.292 1.00 0.00 O ATOM 652 CB ILE A 44 4.690 1.666 0.077 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.199 0.798 1.230 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.172 1.762 0.109 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.307 1.542 2.543 1.00 0.00 C ATOM 0 H ILE A 44 3.885 1.294 -2.922 1.00 0.00 H new ATOM 0 HA ILE A 44 6.243 1.209 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 44 5.101 2.669 0.193 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.529 -0.052 1.357 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.178 0.396 0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.853 2.169 1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.832 2.417 -0.693 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.742 0.770 -0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.674 0.866 3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.000 2.376 2.433 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.326 1.921 2.828 1.00 0.00 H new ATOM 667 N THR A 45 5.830 -1.232 -1.436 1.00 0.00 N ATOM 668 CA THR A 45 5.627 -2.674 -1.504 1.00 0.00 C ATOM 669 C THR A 45 5.446 -3.270 -0.113 1.00 0.00 C ATOM 670 O THR A 45 6.369 -3.262 0.702 1.00 0.00 O ATOM 671 CB THR A 45 6.809 -3.375 -2.201 1.00 0.00 C ATOM 672 OG1 THR A 45 7.162 -2.670 -3.396 1.00 0.00 O ATOM 673 CG2 THR A 45 6.459 -4.816 -2.540 1.00 0.00 C ATOM 0 H THR A 45 6.807 -0.941 -1.473 1.00 0.00 H new ATOM 0 HA THR A 45 4.721 -2.839 -2.087 1.00 0.00 H new ATOM 0 HB THR A 45 7.658 -3.375 -1.517 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.915 -3.121 -3.832 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.308 -5.291 -3.031 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.220 -5.357 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.597 -4.834 -3.207 1.00 0.00 H new ATOM 681 N LEU A 46 4.251 -3.786 0.153 1.00 0.00 N ATOM 682 CA LEU A 46 3.949 -4.388 1.447 1.00 0.00 C ATOM 683 C LEU A 46 4.099 -5.905 1.391 1.00 0.00 C ATOM 684 O LEU A 46 3.984 -6.512 0.325 1.00 0.00 O ATOM 685 CB LEU A 46 2.529 -4.021 1.883 1.00 0.00 C ATOM 686 CG LEU A 46 2.275 -2.540 2.165 1.00 0.00 C ATOM 687 CD1 LEU A 46 0.808 -2.301 2.486 1.00 0.00 C ATOM 688 CD2 LEU A 46 3.158 -2.055 3.306 1.00 0.00 C ATOM 0 H LEU A 46 3.476 -3.800 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 46 4.659 -3.998 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.837 -4.346 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.289 -4.588 2.782 1.00 0.00 H new ATOM 0 HG LEU A 46 2.527 -1.972 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.647 -1.241 2.684 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.195 -2.609 1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.529 -2.881 3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.964 -0.999 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.938 -2.629 4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.206 -2.189 3.037 1.00 0.00 H new ATOM 700 N HIS A 47 4.356 -6.512 2.545 1.00 0.00 N ATOM 701 CA HIS A 47 4.520 -7.959 2.628 1.00 0.00 C ATOM 702 C HIS A 47 3.763 -8.524 3.826 1.00 0.00 C ATOM 703 O HIS A 47 3.506 -7.831 4.811 1.00 0.00 O ATOM 704 CB HIS A 47 6.002 -8.321 2.729 1.00 0.00 C ATOM 705 CG HIS A 47 6.906 -7.337 2.054 1.00 0.00 C ATOM 706 ND1 HIS A 47 6.859 -6.797 0.813 1.00 0.00 N flip ATOM 707 CD2 HIS A 47 8.019 -6.796 2.663 1.00 0.00 C flip ATOM 708 CE1 HIS A 47 7.932 -5.948 0.697 1.00 0.00 C flip ATOM 709 NE2 HIS A 47 8.616 -5.965 1.827 1.00 0.00 N flip ATOM 0 H HIS A 47 4.455 -6.025 3.435 1.00 0.00 H new ATOM 0 HA HIS A 47 4.108 -8.399 1.720 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.279 -8.394 3.781 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.158 -9.306 2.289 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.351 -7.017 3.667 1.00 0.00 H new ATOM 0 HE1 HIS A 47 8.177 -5.362 -0.176 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.461 -5.428 2.021 1.00 0.00 H new ATOM 871 N VAL A 59 3.368 -13.967 -1.162 1.00 0.00 N ATOM 872 CA VAL A 59 2.454 -12.984 -1.730 1.00 0.00 C ATOM 873 C VAL A 59 2.917 -11.563 -1.427 1.00 0.00 C ATOM 874 O VAL A 59 3.238 -11.235 -0.284 1.00 0.00 O ATOM 875 CB VAL A 59 1.023 -13.171 -1.193 1.00 0.00 C ATOM 876 CG1 VAL A 59 0.631 -14.641 -1.218 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.903 -12.603 0.213 1.00 0.00 C ATOM 0 HA VAL A 59 2.452 -13.140 -2.809 1.00 0.00 H new ATOM 0 HB VAL A 59 0.337 -12.625 -1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.383 -14.754 -0.835 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.675 -15.012 -2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.320 -15.212 -0.595 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.115 -12.744 0.577 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.599 -13.119 0.874 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.139 -11.539 0.197 1.00 0.00 H new ATOM 887 N CYS A 60 2.948 -10.724 -2.457 1.00 0.00 N ATOM 888 CA CYS A 60 3.372 -9.337 -2.300 1.00 0.00 C ATOM 889 C CYS A 60 2.738 -8.452 -3.368 1.00 0.00 C ATOM 890 O CYS A 60 2.476 -8.899 -4.485 1.00 0.00 O ATOM 891 CB CYS A 60 4.896 -9.237 -2.375 1.00 0.00 C ATOM 892 SG CYS A 60 5.736 -9.586 -0.813 1.00 0.00 S ATOM 0 H CYS A 60 2.685 -10.980 -3.409 1.00 0.00 H new ATOM 0 HA CYS A 60 3.041 -8.989 -1.322 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.258 -9.932 -3.133 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.168 -8.234 -2.705 1.00 0.00 H new ATOM 0 HG CYS A 60 6.127 -8.471 -0.272 1.00 0.00 H new ATOM 898 N PHE A 61 2.493 -7.194 -3.017 1.00 0.00 N ATOM 899 CA PHE A 61 1.887 -6.246 -3.945 1.00 0.00 C ATOM 900 C PHE A 61 2.421 -4.836 -3.707 1.00 0.00 C ATOM 901 O PHE A 61 3.152 -4.589 -2.747 1.00 0.00 O ATOM 902 CB PHE A 61 0.364 -6.258 -3.798 1.00 0.00 C ATOM 903 CG PHE A 61 -0.129 -5.494 -2.602 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.360 -4.130 -2.682 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.363 -6.139 -1.399 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.812 -3.424 -1.584 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.816 -5.439 -0.297 1.00 0.00 C ATOM 908 CZ PHE A 61 -1.042 -4.080 -0.390 1.00 0.00 C ATOM 0 H PHE A 61 2.705 -6.807 -2.097 1.00 0.00 H new ATOM 0 HA PHE A 61 2.149 -6.549 -4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.083 -5.836 -4.698 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.022 -7.290 -3.726 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.185 -3.613 -3.614 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.189 -7.202 -1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.985 -2.361 -1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.993 -5.954 0.636 1.00 0.00 H new ATOM 0 HZ PHE A 61 -1.398 -3.531 0.469 1.00 0.00 H new ATOM 918 N THR A 62 2.051 -3.913 -4.589 1.00 0.00 N ATOM 919 CA THR A 62 2.493 -2.529 -4.478 1.00 0.00 C ATOM 920 C THR A 62 1.332 -1.608 -4.120 1.00 0.00 C ATOM 921 O THR A 62 0.376 -1.471 -4.885 1.00 0.00 O ATOM 922 CB THR A 62 3.138 -2.038 -5.788 1.00 0.00 C ATOM 923 OG1 THR A 62 4.368 -2.732 -6.019 1.00 0.00 O ATOM 924 CG2 THR A 62 3.397 -0.540 -5.735 1.00 0.00 C ATOM 0 H THR A 62 1.446 -4.099 -5.389 1.00 0.00 H new ATOM 0 HA THR A 62 3.237 -2.498 -3.682 1.00 0.00 H new ATOM 0 HB THR A 62 2.447 -2.243 -6.606 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.770 -2.415 -6.854 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.853 -0.216 -6.671 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.454 -0.013 -5.589 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.070 -0.316 -4.907 1.00 0.00 H new ATOM 932 N LEU A 63 1.421 -0.977 -2.954 1.00 0.00 N ATOM 933 CA LEU A 63 0.377 -0.067 -2.495 1.00 0.00 C ATOM 934 C LEU A 63 0.572 1.326 -3.084 1.00 0.00 C ATOM 935 O LEU A 63 1.573 1.991 -2.816 1.00 0.00 O ATOM 936 CB LEU A 63 0.375 0.008 -0.967 1.00 0.00 C ATOM 937 CG LEU A 63 -0.906 0.538 -0.323 1.00 0.00 C ATOM 938 CD1 LEU A 63 -1.083 -0.044 1.071 1.00 0.00 C ATOM 939 CD2 LEU A 63 -0.887 2.059 -0.270 1.00 0.00 C ATOM 0 H LEU A 63 2.205 -1.079 -2.309 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.584 -0.454 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.569 -0.990 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.205 0.641 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.753 0.227 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.000 0.345 1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.143 -1.130 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.233 0.236 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.807 2.419 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.032 2.392 0.318 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.809 2.457 -1.282 1.00 0.00 H new ATOM 951 N VAL A 64 -0.394 1.764 -3.886 1.00 0.00 N ATOM 952 CA VAL A 64 -0.331 3.080 -4.510 1.00 0.00 C ATOM 953 C VAL A 64 -1.305 4.049 -3.849 1.00 0.00 C ATOM 954 O VAL A 64 -2.516 3.824 -3.847 1.00 0.00 O ATOM 955 CB VAL A 64 -0.643 3.002 -6.016 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.340 4.330 -6.694 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.141 1.872 -6.665 1.00 0.00 C ATOM 0 H VAL A 64 -1.229 1.226 -4.119 1.00 0.00 H new ATOM 0 HA VAL A 64 0.687 3.446 -4.376 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.706 2.793 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.567 4.256 -7.758 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.951 5.114 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.715 4.573 -6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.092 1.832 -7.729 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.209 2.048 -6.534 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.131 0.925 -6.198 1.00 0.00 H new ATOM 967 N LEU A 65 -0.769 5.128 -3.290 1.00 0.00 N ATOM 968 CA LEU A 65 -1.591 6.134 -2.626 1.00 0.00 C ATOM 969 C LEU A 65 -1.699 7.396 -3.475 1.00 0.00 C ATOM 970 O LEU A 65 -0.700 7.893 -3.995 1.00 0.00 O ATOM 971 CB LEU A 65 -1.006 6.476 -1.255 1.00 0.00 C ATOM 972 CG LEU A 65 -1.131 5.393 -0.182 1.00 0.00 C ATOM 973 CD1 LEU A 65 -0.164 5.659 0.961 1.00 0.00 C ATOM 974 CD2 LEU A 65 -2.561 5.316 0.333 1.00 0.00 C ATOM 0 H LEU A 65 0.231 5.329 -3.283 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.591 5.721 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.050 6.713 -1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.494 7.380 -0.889 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.875 4.433 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.268 4.878 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.857 5.663 0.580 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.388 6.627 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.632 4.540 1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.845 6.276 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.232 5.076 -0.492 1.00 0.00 H new ATOM 986 N GLN A 66 -2.917 7.912 -3.608 1.00 0.00 N ATOM 987 CA GLN A 66 -3.154 9.118 -4.392 1.00 0.00 C ATOM 988 C GLN A 66 -3.752 10.222 -3.526 1.00 0.00 C ATOM 989 O GLN A 66 -4.956 10.243 -3.272 1.00 0.00 O ATOM 990 CB GLN A 66 -4.087 8.813 -5.566 1.00 0.00 C ATOM 991 CG GLN A 66 -3.359 8.350 -6.817 1.00 0.00 C ATOM 992 CD GLN A 66 -3.087 6.858 -6.816 1.00 0.00 C ATOM 993 OE1 GLN A 66 -3.015 6.230 -5.759 1.00 0.00 O ATOM 994 NE2 GLN A 66 -2.934 6.283 -8.003 1.00 0.00 N ATOM 0 H GLN A 66 -3.754 7.514 -3.183 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.195 9.464 -4.779 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.798 8.044 -5.264 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.665 9.707 -5.802 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.953 8.607 -7.694 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.415 8.888 -6.903 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.002 6.842 -8.853 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.749 5.282 -8.065 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.901 11.139 -3.075 1.00 0.00 N ATOM 1004 CA VAL A 67 -3.345 12.247 -2.238 1.00 0.00 C ATOM 1005 C VAL A 67 -3.925 13.376 -3.082 1.00 0.00 C ATOM 1006 O VAL A 67 -3.227 14.022 -3.864 1.00 0.00 O ATOM 1007 CB VAL A 67 -2.190 12.801 -1.382 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -2.713 13.805 -0.365 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.447 11.668 -0.692 1.00 0.00 C ATOM 0 H VAL A 67 -1.901 11.136 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.120 11.855 -1.579 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.489 13.317 -2.039 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.883 14.186 0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.196 14.632 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.435 13.317 0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.635 12.078 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.135 11.122 -0.047 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.038 10.991 -1.442 1.00 0.00 H new ATOM 1019 N PRO A 68 -5.234 13.621 -2.923 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.938 14.674 -3.661 1.00 0.00 C ATOM 1021 C PRO A 68 -5.522 16.072 -3.216 1.00 0.00 C ATOM 1022 O PRO A 68 -4.580 16.231 -2.441 1.00 0.00 O ATOM 1023 CB PRO A 68 -7.409 14.421 -3.324 1.00 0.00 C ATOM 1024 CG PRO A 68 -7.381 13.721 -2.009 1.00 0.00 C ATOM 1025 CD PRO A 68 -6.128 12.890 -2.009 1.00 0.00 C ATOM 0 HA PRO A 68 -5.719 14.639 -4.728 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.968 15.355 -3.264 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.891 13.810 -4.088 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.375 14.436 -1.186 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.264 13.095 -1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.701 12.807 -1.010 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.319 11.876 -2.359 1.00 0.00 H new ATOM 1033 N ALA A 69 -6.230 17.081 -3.712 1.00 0.00 N ATOM 1034 CA ALA A 69 -5.935 18.465 -3.364 1.00 0.00 C ATOM 1035 C ALA A 69 -6.539 18.831 -2.012 1.00 0.00 C ATOM 1036 O ALA A 69 -5.934 19.564 -1.230 1.00 0.00 O ATOM 1037 CB ALA A 69 -6.450 19.403 -4.445 1.00 0.00 C ATOM 0 H ALA A 69 -7.012 16.966 -4.356 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.853 18.573 -3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.223 20.433 -4.171 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.968 19.165 -5.393 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -7.529 19.284 -4.546 1.00 0.00 H new ATOM 1043 N GLU A 70 -7.735 18.316 -1.744 1.00 0.00 N ATOM 1044 CA GLU A 70 -8.421 18.592 -0.487 1.00 0.00 C ATOM 1045 C GLU A 70 -7.567 18.162 0.703 1.00 0.00 C ATOM 1046 O GLU A 70 -7.448 18.889 1.690 1.00 0.00 O ATOM 1047 CB GLU A 70 -9.770 17.871 -0.448 1.00 0.00 C ATOM 1048 CG GLU A 70 -10.906 18.672 -1.061 1.00 0.00 C ATOM 1049 CD GLU A 70 -11.017 20.068 -0.479 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -11.397 20.189 0.704 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -10.722 21.039 -1.207 1.00 0.00 O ATOM 0 H GLU A 70 -8.249 17.706 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.590 19.667 -0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.680 16.921 -0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.018 17.638 0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.756 18.743 -2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.845 18.142 -0.904 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.977 16.977 0.602 1.00 0.00 N ATOM 1059 CA TYR A 71 -6.137 16.448 1.671 1.00 0.00 C ATOM 1060 C TYR A 71 -5.465 17.578 2.445 1.00 0.00 C ATOM 1061 O TYR A 71 -5.011 18.571 1.877 1.00 0.00 O ATOM 1062 CB TYR A 71 -5.076 15.508 1.096 1.00 0.00 C ATOM 1063 CG TYR A 71 -4.190 14.879 2.148 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -3.312 15.652 2.897 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -4.233 13.512 2.394 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -2.500 15.082 3.859 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.426 12.934 3.355 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.561 13.723 4.084 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.756 13.151 5.042 1.00 0.00 O ATOM 0 H TYR A 71 -7.064 16.364 -0.209 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.774 15.890 2.357 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.570 14.718 0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.454 16.062 0.393 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.263 16.717 2.725 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.909 12.891 1.824 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.822 15.697 4.431 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.472 11.870 3.534 1.00 0.00 H new ATOM 0 HH TYR A 71 -1.049 13.781 5.293 1.00 0.00 H new ATOM 1079 N PRO A 72 -5.400 17.424 3.776 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.938 16.247 4.464 1.00 0.00 C ATOM 1081 C PRO A 72 -7.462 16.205 4.436 1.00 0.00 C ATOM 1082 O PRO A 72 -8.065 15.134 4.509 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.434 16.414 5.900 1.00 0.00 C ATOM 1084 CG PRO A 72 -5.227 17.881 6.060 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.796 18.388 4.712 1.00 0.00 C ATOM 0 HA PRO A 72 -5.620 15.318 3.991 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.159 16.035 6.621 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.507 15.863 6.061 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.144 18.371 6.386 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.469 18.088 6.815 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.153 19.402 4.531 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.710 18.411 4.620 1.00 0.00 H new ATOM 1093 N HIS A 73 -8.080 17.377 4.329 1.00 0.00 N ATOM 1094 CA HIS A 73 -9.535 17.473 4.290 1.00 0.00 C ATOM 1095 C HIS A 73 -10.142 16.254 3.603 1.00 0.00 C ATOM 1096 O HIS A 73 -11.195 15.763 4.007 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.963 18.749 3.564 1.00 0.00 C ATOM 1098 CG HIS A 73 -9.714 19.999 4.350 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -8.597 20.447 4.971 1.00 0.00 N flip ATOM 1100 CD2 HIS A 73 -10.683 20.954 4.572 1.00 0.00 C flip ATOM 1101 CE1 HIS A 73 -8.909 21.652 5.549 1.00 0.00 C flip ATOM 1102 NE2 HIS A 73 -10.173 21.936 5.294 1.00 0.00 N flip ATOM 0 H HIS A 73 -7.596 18.273 4.268 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.900 17.508 5.316 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -9.429 18.814 2.616 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -11.025 18.684 3.328 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -11.700 20.907 4.212 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.230 22.268 6.120 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -10.671 22.771 5.602 1.00 0.00 H new ATOM 1111 N GLU A 74 -9.470 15.772 2.562 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.945 14.611 1.818 1.00 0.00 C ATOM 1113 C GLU A 74 -8.965 13.448 1.940 1.00 0.00 C ATOM 1114 O GLU A 74 -7.751 13.632 1.844 1.00 0.00 O ATOM 1115 CB GLU A 74 -10.148 14.970 0.344 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.759 13.847 -0.477 1.00 0.00 C ATOM 1117 CD GLU A 74 -11.487 14.353 -1.707 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -12.696 14.647 -1.601 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -10.848 14.456 -2.775 1.00 0.00 O ATOM 0 H GLU A 74 -8.596 16.167 2.215 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.900 14.304 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.790 15.848 0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.187 15.245 -0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.973 13.157 -0.783 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.454 13.283 0.146 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.500 12.250 2.152 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.674 11.057 2.286 1.00 0.00 C ATOM 1128 C VAL A 75 -8.024 10.686 0.958 1.00 0.00 C ATOM 1129 O VAL A 75 -8.620 10.816 -0.111 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.497 9.858 2.795 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -10.116 10.171 4.149 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.570 9.482 1.784 1.00 0.00 C ATOM 0 H VAL A 75 -10.502 12.080 2.235 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.897 11.291 3.014 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.828 9.006 2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.693 9.313 4.492 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.327 10.388 4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.772 11.037 4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.142 8.633 2.159 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.237 10.330 1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.100 9.213 0.838 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.771 10.212 1.025 1.00 0.00 N ATOM 1143 CA PRO A 76 -6.012 9.811 -0.164 1.00 0.00 C ATOM 1144 C PRO A 76 -6.564 8.540 -0.802 1.00 0.00 C ATOM 1145 O PRO A 76 -6.778 7.537 -0.123 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.603 9.567 0.381 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.804 9.233 1.818 1.00 0.00 C ATOM 1148 CD PRO A 76 -5.999 10.030 2.265 1.00 0.00 C ATOM 0 HA PRO A 76 -6.055 10.565 -0.949 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.109 8.753 -0.149 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.975 10.450 0.264 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.976 8.165 1.950 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.922 9.489 2.405 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.575 9.499 3.023 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.705 10.986 2.699 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.790 8.591 -2.111 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.316 7.444 -2.840 1.00 0.00 C ATOM 1158 C GLN A 77 -6.341 6.272 -2.789 1.00 0.00 C ATOM 1159 O GLN A 77 -5.229 6.355 -3.310 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.600 7.823 -4.294 1.00 0.00 C ATOM 1161 CG GLN A 77 -8.920 8.554 -4.486 1.00 0.00 C ATOM 1162 CD GLN A 77 -9.347 8.615 -5.939 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -8.587 8.252 -6.838 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -10.569 9.077 -6.178 1.00 0.00 N ATOM 0 H GLN A 77 -6.617 9.414 -2.688 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.247 7.139 -2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.789 8.452 -4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.603 6.919 -4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.695 8.055 -3.904 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -8.830 9.567 -4.095 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.165 9.367 -5.403 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.911 9.142 -7.137 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.766 5.183 -2.158 1.00 0.00 N ATOM 1174 CA ILE A 78 -5.930 3.994 -2.040 1.00 0.00 C ATOM 1175 C ILE A 78 -6.121 3.067 -3.235 1.00 0.00 C ATOM 1176 O ILE A 78 -7.249 2.761 -3.623 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.237 3.217 -0.746 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -5.884 4.063 0.479 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.473 1.901 -0.726 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -7.030 4.919 0.972 1.00 0.00 C ATOM 0 H ILE A 78 -7.684 5.099 -1.721 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.896 4.336 -2.012 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.304 2.996 -0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.560 3.404 1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.039 4.707 0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.700 1.363 0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.769 1.296 -1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.403 2.101 -0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.708 5.491 1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.339 5.603 0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.869 4.280 1.248 1.00 0.00 H new ATOM 1192 N SER A 79 -5.011 2.620 -3.814 1.00 0.00 N ATOM 1193 CA SER A 79 -5.056 1.728 -4.967 1.00 0.00 C ATOM 1194 C SER A 79 -3.937 0.694 -4.898 1.00 0.00 C ATOM 1195 O SER A 79 -2.955 0.874 -4.176 1.00 0.00 O ATOM 1196 CB SER A 79 -4.944 2.531 -6.264 1.00 0.00 C ATOM 1197 OG SER A 79 -6.122 3.282 -6.503 1.00 0.00 O ATOM 0 H SER A 79 -4.070 2.861 -3.504 1.00 0.00 H new ATOM 0 HA SER A 79 -6.012 1.205 -4.953 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.087 3.202 -6.207 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.764 1.855 -7.100 1.00 0.00 H new ATOM 0 HG SER A 79 -6.024 3.788 -7.337 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.092 -0.388 -5.652 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.095 -1.451 -5.678 1.00 0.00 C ATOM 1205 C ILE A 80 -2.606 -1.712 -7.098 1.00 0.00 C ATOM 1206 O ILE A 80 -3.389 -1.693 -8.048 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.653 -2.761 -5.090 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -3.945 -2.592 -3.598 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.674 -3.903 -5.318 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.726 -3.742 -3.001 1.00 0.00 C ATOM 0 H ILE A 80 -4.899 -0.552 -6.254 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.259 -1.114 -5.065 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.587 -3.002 -5.598 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.002 -2.486 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.503 -1.668 -3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.082 -4.822 -4.897 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.512 -4.035 -6.388 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.726 -3.672 -4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.897 -3.554 -1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.684 -3.835 -3.512 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.160 -4.666 -3.119 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.307 -1.957 -7.235 1.00 0.00 N ATOM 1223 CA ARG A 81 -0.713 -2.223 -8.540 1.00 0.00 C ATOM 1224 C ARG A 81 0.171 -3.466 -8.492 1.00 0.00 C ATOM 1225 O ARG A 81 0.842 -3.724 -7.494 1.00 0.00 O ATOM 1226 CB ARG A 81 0.107 -1.019 -9.006 1.00 0.00 C ATOM 1227 CG ARG A 81 0.168 -0.871 -10.517 1.00 0.00 C ATOM 1228 CD ARG A 81 1.039 0.306 -10.928 1.00 0.00 C ATOM 1229 NE ARG A 81 2.462 -0.011 -10.845 1.00 0.00 N ATOM 1230 CZ ARG A 81 3.420 0.782 -11.311 1.00 0.00 C ATOM 1231 NH1 ARG A 81 3.109 1.934 -11.889 1.00 0.00 N ATOM 1232 NH2 ARG A 81 4.693 0.424 -11.198 1.00 0.00 N ATOM 0 H ARG A 81 -0.646 -1.977 -6.459 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.521 -2.400 -9.250 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.320 -0.112 -8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.121 -1.109 -8.617 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.561 -1.787 -10.958 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.839 -0.735 -10.911 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.792 0.601 -11.948 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.820 1.160 -10.287 1.00 0.00 H new ATOM 0 HE ARG A 81 2.735 -0.890 -10.405 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.132 2.213 -11.977 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.847 2.541 -12.246 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.936 -0.461 -10.753 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.428 1.034 -11.556 1.00 0.00 H new ATOM 1246 N ASN A 82 0.164 -4.233 -9.578 1.00 0.00 N ATOM 1247 CA ASN A 82 0.965 -5.449 -9.659 1.00 0.00 C ATOM 1248 C ASN A 82 0.680 -6.368 -8.475 1.00 0.00 C ATOM 1249 O ASN A 82 1.589 -6.870 -7.814 1.00 0.00 O ATOM 1250 CB ASN A 82 2.454 -5.103 -9.703 1.00 0.00 C ATOM 1251 CG ASN A 82 3.287 -6.209 -10.322 1.00 0.00 C ATOM 1252 OD1 ASN A 82 2.829 -6.918 -11.218 1.00 0.00 O ATOM 1253 ND2 ASN A 82 4.517 -6.360 -9.845 1.00 0.00 N ATOM 0 H ASN A 82 -0.387 -4.034 -10.413 1.00 0.00 H new ATOM 0 HA ASN A 82 0.694 -5.972 -10.576 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.594 -4.184 -10.273 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.809 -4.908 -8.691 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.125 -7.087 -10.222 1.00 0.00 H new ATOM 0 HD22 ASN A 82 4.854 -5.749 -9.101 1.00 0.00 H new ATOM 1260 N PRO A 83 -0.613 -6.594 -8.199 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.048 -7.454 -7.094 1.00 0.00 C ATOM 1262 C PRO A 83 -0.745 -8.926 -7.351 1.00 0.00 C ATOM 1263 O PRO A 83 -1.492 -9.611 -8.049 1.00 0.00 O ATOM 1264 CB PRO A 83 -2.560 -7.222 -7.038 1.00 0.00 C ATOM 1265 CG PRO A 83 -2.930 -6.797 -8.418 1.00 0.00 C ATOM 1266 CD PRO A 83 -1.750 -6.028 -8.944 1.00 0.00 C ATOM 0 HA PRO A 83 -0.531 -7.215 -6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.089 -8.130 -6.748 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.816 -6.456 -6.306 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.146 -7.660 -9.048 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -3.827 -6.178 -8.408 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -1.631 -6.160 -10.019 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -1.855 -4.958 -8.764 1.00 0.00 H new ATOM 1274 N ARG A 84 0.356 -9.406 -6.783 1.00 0.00 N ATOM 1275 CA ARG A 84 0.759 -10.797 -6.951 1.00 0.00 C ATOM 1276 C ARG A 84 0.687 -11.549 -5.625 1.00 0.00 C ATOM 1277 O ARG A 84 1.172 -11.069 -4.601 1.00 0.00 O ATOM 1278 CB ARG A 84 2.178 -10.875 -7.517 1.00 0.00 C ATOM 1279 CG ARG A 84 2.522 -12.229 -8.116 1.00 0.00 C ATOM 1280 CD ARG A 84 3.892 -12.215 -8.776 1.00 0.00 C ATOM 1281 NE ARG A 84 4.167 -13.457 -9.493 1.00 0.00 N ATOM 1282 CZ ARG A 84 5.295 -13.689 -10.156 1.00 0.00 C ATOM 1283 NH1 ARG A 84 6.247 -12.767 -10.192 1.00 0.00 N ATOM 1284 NH2 ARG A 84 5.471 -14.844 -10.783 1.00 0.00 N ATOM 0 H ARG A 84 0.985 -8.852 -6.202 1.00 0.00 H new ATOM 0 HA ARG A 84 0.069 -11.266 -7.653 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.297 -10.108 -8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.890 -10.647 -6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 84 2.501 -12.989 -7.335 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.766 -12.506 -8.851 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.952 -11.376 -9.469 1.00 0.00 H new ATOM 0 HD3 ARG A 84 4.658 -12.057 -8.017 1.00 0.00 H new ATOM 0 HE ARG A 84 3.454 -14.186 -9.484 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.114 -11.878 -9.710 1.00 0.00 H new ATOM 0 HH12 ARG A 84 7.112 -12.947 -10.701 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.740 -15.555 -10.757 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.337 -15.021 -11.292 1.00 0.00 H new ATOM 1298 N GLY A 85 0.077 -12.730 -5.653 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.048 -13.528 -4.447 1.00 0.00 C ATOM 1300 C GLY A 85 -1.438 -13.459 -3.847 1.00 0.00 C ATOM 1301 O GLY A 85 -1.961 -14.460 -3.355 1.00 0.00 O ATOM 0 H GLY A 85 -0.333 -13.148 -6.488 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.195 -14.566 -4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.679 -13.185 -3.711 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.039 -12.275 -3.886 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.378 -12.078 -3.340 1.00 0.00 C ATOM 1307 C LEU A 86 -4.437 -12.245 -4.424 1.00 0.00 C ATOM 1308 O LEU A 86 -4.129 -12.229 -5.616 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.493 -10.689 -2.709 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.461 -10.354 -1.631 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.261 -8.850 -1.533 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -2.887 -10.926 -0.288 1.00 0.00 C ATOM 0 H LEU A 86 -1.621 -11.437 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.546 -12.834 -2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.416 -9.944 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.488 -10.590 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.511 -10.809 -1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.523 -8.631 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.909 -8.467 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.207 -8.373 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.141 -10.678 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.849 -10.502 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.977 -12.009 -0.366 1.00 0.00 H new ATOM 1324 N SER A 87 -5.688 -12.403 -4.003 1.00 0.00 N ATOM 1325 CA SER A 87 -6.794 -12.575 -4.938 1.00 0.00 C ATOM 1326 C SER A 87 -7.732 -11.373 -4.896 1.00 0.00 C ATOM 1327 O SER A 87 -7.582 -10.483 -4.058 1.00 0.00 O ATOM 1328 CB SER A 87 -7.570 -13.853 -4.613 1.00 0.00 C ATOM 1329 OG SER A 87 -8.446 -13.653 -3.517 1.00 0.00 O ATOM 0 H SER A 87 -5.961 -12.415 -3.020 1.00 0.00 H new ATOM 0 HA SER A 87 -6.379 -12.656 -5.943 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.141 -14.167 -5.486 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.872 -14.658 -4.382 1.00 0.00 H new ATOM 0 HG SER A 87 -8.931 -14.484 -3.330 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.699 -11.353 -5.807 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.663 -10.261 -5.875 1.00 0.00 C ATOM 1337 C ASP A 88 -10.185 -9.909 -4.486 1.00 0.00 C ATOM 1338 O ASP A 88 -10.230 -8.739 -4.108 1.00 0.00 O ATOM 1339 CB ASP A 88 -10.829 -10.638 -6.791 1.00 0.00 C ATOM 1340 CG ASP A 88 -10.363 -11.191 -8.124 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -9.838 -12.323 -8.145 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -10.523 -10.490 -9.145 1.00 0.00 O ATOM 0 H ASP A 88 -8.836 -12.081 -6.509 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.156 -9.387 -6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.454 -11.379 -6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.451 -9.760 -6.963 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.578 -10.930 -3.731 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.099 -10.727 -2.384 1.00 0.00 C ATOM 1349 C GLU A 89 -10.131 -9.896 -1.546 1.00 0.00 C ATOM 1350 O GLU A 89 -10.442 -8.771 -1.155 1.00 0.00 O ATOM 1351 CB GLU A 89 -11.353 -12.073 -1.703 1.00 0.00 C ATOM 1352 CG GLU A 89 -12.039 -11.953 -0.352 1.00 0.00 C ATOM 1353 CD GLU A 89 -12.311 -13.301 0.286 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -12.905 -14.167 -0.389 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -11.931 -13.489 1.461 1.00 0.00 O ATOM 0 H GLU A 89 -10.546 -11.905 -4.029 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.041 -10.185 -2.465 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.966 -12.692 -2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.402 -12.590 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.416 -11.358 0.316 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.980 -11.416 -0.473 1.00 0.00 H new ATOM 1362 N GLN A 90 -8.958 -10.458 -1.276 1.00 0.00 N ATOM 1363 CA GLN A 90 -7.945 -9.770 -0.484 1.00 0.00 C ATOM 1364 C GLN A 90 -7.715 -8.356 -1.006 1.00 0.00 C ATOM 1365 O GLN A 90 -7.723 -7.392 -0.240 1.00 0.00 O ATOM 1366 CB GLN A 90 -6.632 -10.554 -0.504 1.00 0.00 C ATOM 1367 CG GLN A 90 -6.638 -11.773 0.405 1.00 0.00 C ATOM 1368 CD GLN A 90 -6.811 -11.411 1.867 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -7.932 -11.229 2.344 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -5.701 -11.304 2.586 1.00 0.00 N ATOM 0 H GLN A 90 -8.685 -11.388 -1.594 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.305 -9.705 0.543 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.425 -10.874 -1.525 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.819 -9.892 -0.206 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.443 -12.443 0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -5.704 -12.320 0.278 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.793 -11.464 2.149 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.756 -11.062 3.575 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.509 -8.239 -2.314 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.277 -6.943 -2.937 1.00 0.00 C ATOM 1381 C ILE A 91 -8.363 -5.944 -2.551 1.00 0.00 C ATOM 1382 O ILE A 91 -8.080 -4.896 -1.971 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.223 -7.058 -4.472 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -6.069 -7.967 -4.897 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -7.079 -5.680 -5.102 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -6.251 -8.574 -6.271 1.00 0.00 C ATOM 0 H ILE A 91 -7.498 -9.027 -2.962 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.313 -6.586 -2.573 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.156 -7.500 -4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.142 -7.394 -4.882 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.961 -8.768 -4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.042 -5.778 -6.187 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.932 -5.061 -4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.160 -5.213 -4.749 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.395 -9.206 -6.506 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.161 -9.174 -6.286 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.329 -7.779 -7.013 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.608 -6.278 -2.876 1.00 0.00 N ATOM 1399 CA HIS A 92 -10.739 -5.412 -2.561 1.00 0.00 C ATOM 1400 C HIS A 92 -10.733 -5.027 -1.084 1.00 0.00 C ATOM 1401 O HIS A 92 -11.042 -3.890 -0.727 1.00 0.00 O ATOM 1402 CB HIS A 92 -12.054 -6.106 -2.914 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.161 -5.155 -3.254 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -13.709 -4.281 -2.340 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -13.820 -4.944 -4.417 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -14.659 -3.574 -2.926 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -14.746 -3.957 -4.187 1.00 0.00 N ATOM 0 H HIS A 92 -9.859 -7.142 -3.357 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.646 -4.503 -3.156 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -11.887 -6.774 -3.759 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.365 -6.727 -2.074 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -13.649 -5.457 -5.352 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -15.262 -2.812 -2.454 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -15.396 -3.581 -4.878 1.00 0.00 H new ATOM 1416 N THR A 93 -10.381 -5.983 -0.230 1.00 0.00 N ATOM 1417 CA THR A 93 -10.338 -5.745 1.207 1.00 0.00 C ATOM 1418 C THR A 93 -9.279 -4.707 1.561 1.00 0.00 C ATOM 1419 O THR A 93 -9.583 -3.678 2.166 1.00 0.00 O ATOM 1420 CB THR A 93 -10.046 -7.043 1.983 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.026 -8.037 1.661 1.00 0.00 O ATOM 1422 CG2 THR A 93 -10.048 -6.789 3.483 1.00 0.00 C ATOM 0 H THR A 93 -10.122 -6.929 -0.509 1.00 0.00 H new ATOM 0 HA THR A 93 -11.321 -5.371 1.495 1.00 0.00 H new ATOM 0 HB THR A 93 -9.058 -7.400 1.692 1.00 0.00 H new ATOM 0 HG1 THR A 93 -10.900 -8.333 0.735 1.00 0.00 H new ATOM 0 HG21 THR A 93 -9.840 -7.720 4.010 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.282 -6.054 3.729 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.024 -6.411 3.787 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.036 -4.982 1.180 1.00 0.00 N ATOM 1431 CA ILE A 94 -6.933 -4.070 1.455 1.00 0.00 C ATOM 1432 C ILE A 94 -7.319 -2.629 1.138 1.00 0.00 C ATOM 1433 O ILE A 94 -6.726 -1.686 1.664 1.00 0.00 O ATOM 1434 CB ILE A 94 -5.678 -4.444 0.645 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.200 -5.847 1.022 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -4.574 -3.423 0.878 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.101 -6.373 0.125 1.00 0.00 C ATOM 0 H ILE A 94 -7.768 -5.829 0.680 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.708 -4.158 2.518 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.933 -4.440 -0.415 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.843 -5.836 2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.047 -6.532 0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.693 -3.701 0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.918 -2.437 0.565 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.319 -3.399 1.937 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.812 -7.372 0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.460 -6.417 -0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.238 -5.710 0.180 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.317 -2.466 0.277 1.00 0.00 N ATOM 1450 CA LEU A 95 -8.785 -1.139 -0.109 1.00 0.00 C ATOM 1451 C LEU A 95 -9.794 -0.602 0.900 1.00 0.00 C ATOM 1452 O LEU A 95 -9.497 0.325 1.654 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.415 -1.184 -1.502 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.483 -1.582 -2.648 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.286 -2.057 -3.849 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.584 -0.416 -3.033 1.00 0.00 C ATOM 0 H LEU A 95 -8.818 -3.236 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 95 -7.925 -0.469 -0.127 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.250 -1.885 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.830 -0.201 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.853 -2.405 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.606 -2.336 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -9.887 -2.921 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -9.941 -1.255 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.928 -0.717 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.198 0.427 -3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.982 -0.121 -2.173 1.00 0.00 H new ATOM 1468 N GLN A 96 -10.985 -1.191 0.910 1.00 0.00 N ATOM 1469 CA GLN A 96 -12.037 -0.772 1.829 1.00 0.00 C ATOM 1470 C GLN A 96 -11.486 -0.586 3.239 1.00 0.00 C ATOM 1471 O GLN A 96 -11.944 0.278 3.986 1.00 0.00 O ATOM 1472 CB GLN A 96 -13.170 -1.799 1.843 1.00 0.00 C ATOM 1473 CG GLN A 96 -12.686 -3.238 1.922 1.00 0.00 C ATOM 1474 CD GLN A 96 -12.584 -3.742 3.348 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -12.423 -2.959 4.285 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -12.677 -5.055 3.520 1.00 0.00 N ATOM 0 H GLN A 96 -11.246 -1.960 0.292 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.428 0.185 1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -13.822 -1.597 2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.772 -1.676 0.943 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -13.368 -3.878 1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -11.710 -3.316 1.442 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -12.810 -5.667 2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -12.615 -5.452 4.457 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.500 -1.403 3.596 1.00 0.00 N ATOM 1486 CA VAL A 97 -9.886 -1.328 4.916 1.00 0.00 C ATOM 1487 C VAL A 97 -9.173 0.005 5.116 1.00 0.00 C ATOM 1488 O VAL A 97 -9.534 0.789 5.995 1.00 0.00 O ATOM 1489 CB VAL A 97 -8.879 -2.473 5.133 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -7.965 -2.166 6.309 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -9.608 -3.791 5.344 1.00 0.00 C ATOM 0 H VAL A 97 -10.110 -2.124 2.989 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.691 -1.419 5.645 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.262 -2.564 4.239 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.261 -2.987 6.446 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.416 -1.245 6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.563 -2.046 7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.881 -4.589 5.496 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.251 -3.715 6.221 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.215 -4.015 4.467 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.160 0.257 4.295 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.396 1.497 4.380 1.00 0.00 C ATOM 1503 C LEU A 98 -8.312 2.710 4.262 1.00 0.00 C ATOM 1504 O LEU A 98 -8.161 3.689 4.993 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.330 1.539 3.284 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.283 0.425 3.322 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.598 0.290 1.971 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.260 0.693 4.417 1.00 0.00 C ATOM 0 H LEU A 98 -7.848 -0.381 3.563 1.00 0.00 H new ATOM 0 HA LEU A 98 -6.907 1.528 5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.831 1.506 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.814 2.497 3.344 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.788 -0.515 3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.856 -0.507 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.340 0.052 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.106 1.229 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.522 -0.109 4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.760 1.642 4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.764 0.738 5.382 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.265 2.639 3.337 1.00 0.00 N ATOM 1521 CA GLY A 99 -10.193 3.737 3.141 1.00 0.00 C ATOM 1522 C GLY A 99 -10.742 4.272 4.449 1.00 0.00 C ATOM 1523 O GLY A 99 -10.787 5.484 4.662 1.00 0.00 O ATOM 0 H GLY A 99 -9.411 1.840 2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.691 4.542 2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -11.019 3.403 2.513 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.162 3.367 5.327 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.712 3.756 6.621 1.00 0.00 C ATOM 1529 C HIS A 100 -10.638 4.388 7.500 1.00 0.00 C ATOM 1530 O HIS A 100 -10.844 5.454 8.081 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.316 2.542 7.328 1.00 0.00 C ATOM 1532 CG HIS A 100 -12.318 2.657 8.821 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -12.776 3.774 9.488 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -11.917 1.787 9.777 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -12.654 3.586 10.790 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -12.136 2.388 10.992 1.00 0.00 N ATOM 0 H HIS A 100 -11.132 2.360 5.167 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.496 4.494 6.448 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.340 2.403 6.981 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -11.758 1.650 7.041 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.502 0.803 9.615 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -12.931 4.292 11.559 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -11.932 1.976 11.903 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.490 3.724 7.595 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.383 4.222 8.403 1.00 0.00 C ATOM 1547 C VAL A 101 -8.060 5.671 8.059 1.00 0.00 C ATOM 1548 O VAL A 101 -7.716 6.465 8.934 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.118 3.365 8.209 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -5.964 3.923 9.029 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.394 1.916 8.579 1.00 0.00 C ATOM 0 H VAL A 101 -9.303 2.840 7.122 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.698 4.161 9.445 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.835 3.399 7.157 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.079 3.305 8.879 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.752 4.944 8.711 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.234 3.921 10.085 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.489 1.325 8.436 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.703 1.860 9.623 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.188 1.523 7.944 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.173 6.010 6.779 1.00 0.00 N ATOM 1562 CA ALA A 102 -7.895 7.365 6.319 1.00 0.00 C ATOM 1563 C ALA A 102 -8.688 8.390 7.123 1.00 0.00 C ATOM 1564 O ALA A 102 -8.125 9.348 7.654 1.00 0.00 O ATOM 1565 CB ALA A 102 -8.211 7.494 4.837 1.00 0.00 C ATOM 0 H ALA A 102 -8.455 5.364 6.042 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.834 7.564 6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.999 8.511 4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.597 6.793 4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.264 7.270 4.669 1.00 0.00 H new ATOM 1571 N LYS A 103 -9.998 8.184 7.208 1.00 0.00 N ATOM 1572 CA LYS A 103 -10.869 9.089 7.948 1.00 0.00 C ATOM 1573 C LYS A 103 -10.534 9.073 9.436 1.00 0.00 C ATOM 1574 O LYS A 103 -10.691 10.078 10.128 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.335 8.703 7.739 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.733 8.591 6.278 1.00 0.00 C ATOM 1577 CD LYS A 103 -14.177 8.146 6.125 1.00 0.00 C ATOM 1578 CE LYS A 103 -14.299 6.630 6.145 1.00 0.00 C ATOM 1579 NZ LYS A 103 -15.720 6.187 6.112 1.00 0.00 N ATOM 0 H LYS A 103 -10.480 7.397 6.773 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.708 10.098 7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.525 7.750 8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.970 9.445 8.224 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.595 9.555 5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -12.077 7.880 5.775 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.777 8.571 6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -14.580 8.532 5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -13.768 6.212 5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -13.817 6.239 7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -15.760 5.148 6.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -16.221 6.565 6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.173 6.538 5.244 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.072 7.925 9.921 1.00 0.00 N ATOM 1594 CA ALA A 104 -9.712 7.779 11.326 1.00 0.00 C ATOM 1595 C ALA A 104 -8.535 8.678 11.687 1.00 0.00 C ATOM 1596 O ALA A 104 -8.155 8.782 12.852 1.00 0.00 O ATOM 1597 CB ALA A 104 -9.385 6.326 11.638 1.00 0.00 C ATOM 0 H ALA A 104 -9.938 7.083 9.362 1.00 0.00 H new ATOM 0 HA ALA A 104 -10.567 8.085 11.929 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.118 6.231 12.690 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.255 5.704 11.427 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.548 6.001 11.020 1.00 0.00 H new ATOM 1603 N GLY A 105 -7.960 9.327 10.678 1.00 0.00 N ATOM 1604 CA GLY A 105 -6.831 10.208 10.911 1.00 0.00 C ATOM 1605 C GLY A 105 -6.822 11.399 9.974 1.00 0.00 C ATOM 1606 O GLY A 105 -5.766 11.814 9.494 1.00 0.00 O ATOM 0 H GLY A 105 -8.256 9.258 9.704 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.856 10.561 11.942 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.905 9.647 10.789 1.00 0.00 H new ATOM 1610 N LEU A 106 -8.002 11.950 9.709 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.127 13.101 8.821 1.00 0.00 C ATOM 1612 C LEU A 106 -7.725 14.387 9.536 1.00 0.00 C ATOM 1613 O LEU A 106 -7.672 14.436 10.764 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.563 13.218 8.305 1.00 0.00 C ATOM 1615 CG LEU A 106 -9.869 12.480 7.001 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.368 12.282 6.840 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.299 13.239 5.812 1.00 0.00 C ATOM 0 H LEU A 106 -8.885 11.618 10.096 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.455 12.952 7.976 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.237 12.846 9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.792 14.274 8.164 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.395 11.499 7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.567 11.755 5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.749 11.696 7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.863 13.253 6.822 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.526 12.699 4.893 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.743 14.233 5.768 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.218 13.329 5.922 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.445 15.428 8.757 1.00 0.00 N ATOM 1630 CA GLY A 107 -7.054 16.701 9.334 1.00 0.00 C ATOM 1631 C GLY A 107 -5.565 16.782 9.603 1.00 0.00 C ATOM 1632 O GLY A 107 -5.003 17.873 9.712 1.00 0.00 O ATOM 0 H GLY A 107 -7.482 15.412 7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.342 17.506 8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.598 16.856 10.266 1.00 0.00 H new ATOM 1636 N THR A 108 -4.921 15.624 9.714 1.00 0.00 N ATOM 1637 CA THR A 108 -3.488 15.568 9.975 1.00 0.00 C ATOM 1638 C THR A 108 -2.840 14.400 9.242 1.00 0.00 C ATOM 1639 O THR A 108 -3.529 13.538 8.696 1.00 0.00 O ATOM 1640 CB THR A 108 -3.197 15.438 11.483 1.00 0.00 C ATOM 1641 OG1 THR A 108 -3.783 14.236 11.993 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.742 16.637 12.244 1.00 0.00 C ATOM 0 H THR A 108 -5.370 14.712 9.627 1.00 0.00 H new ATOM 0 HA THR A 108 -3.063 16.503 9.609 1.00 0.00 H new ATOM 0 HB THR A 108 -2.116 15.401 11.621 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.592 14.160 12.951 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.525 16.523 13.306 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.272 17.548 11.873 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.820 16.700 12.099 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.511 14.376 9.233 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.771 13.311 8.568 1.00 0.00 C ATOM 1652 C ALA A 109 -1.389 11.948 8.860 1.00 0.00 C ATOM 1653 O ALA A 109 -1.634 11.601 10.015 1.00 0.00 O ATOM 1654 CB ALA A 109 0.688 13.334 9.000 1.00 0.00 C ATOM 0 H ALA A 109 -0.925 15.082 9.679 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.824 13.482 7.493 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.229 12.533 8.496 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.131 14.294 8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.750 13.191 10.079 1.00 0.00 H new ATOM 1660 N MET A 110 -1.641 11.180 7.805 1.00 0.00 N ATOM 1661 CA MET A 110 -2.231 9.854 7.948 1.00 0.00 C ATOM 1662 C MET A 110 -1.416 8.811 7.189 1.00 0.00 C ATOM 1663 O MET A 110 -1.347 7.649 7.592 1.00 0.00 O ATOM 1664 CB MET A 110 -3.675 9.857 7.443 1.00 0.00 C ATOM 1665 CG MET A 110 -3.866 10.643 6.156 1.00 0.00 C ATOM 1666 SD MET A 110 -5.390 10.207 5.296 1.00 0.00 S ATOM 1667 CE MET A 110 -6.388 11.658 5.618 1.00 0.00 C ATOM 0 H MET A 110 -1.446 11.453 6.842 1.00 0.00 H new ATOM 0 HA MET A 110 -2.225 9.594 9.006 1.00 0.00 H new ATOM 0 HB2 MET A 110 -3.997 8.828 7.282 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.320 10.276 8.215 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.874 11.709 6.384 1.00 0.00 H new ATOM 0 HG3 MET A 110 -3.017 10.464 5.496 1.00 0.00 H new ATOM 0 HE1 MET A 110 -7.329 11.358 6.079 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.851 12.327 6.291 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.593 12.174 4.680 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.802 9.233 6.090 1.00 0.00 N ATOM 1678 CA LEU A 111 0.008 8.335 5.274 1.00 0.00 C ATOM 1679 C LEU A 111 0.718 7.301 6.142 1.00 0.00 C ATOM 1680 O LEU A 111 0.693 6.106 5.848 1.00 0.00 O ATOM 1681 CB LEU A 111 1.035 9.133 4.468 1.00 0.00 C ATOM 1682 CG LEU A 111 0.483 10.295 3.642 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.611 11.029 2.933 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.544 9.795 2.636 1.00 0.00 C ATOM 0 H LEU A 111 -0.849 10.191 5.743 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.656 7.811 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.782 9.526 5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.551 8.448 3.795 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.010 10.993 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.199 11.853 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.311 11.421 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.133 10.340 2.269 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.926 10.636 2.057 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -0.075 9.076 1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.367 9.315 3.165 1.00 0.00 H new ATOM 1696 N TYR A 112 1.349 7.770 7.213 1.00 0.00 N ATOM 1697 CA TYR A 112 2.066 6.886 8.125 1.00 0.00 C ATOM 1698 C TYR A 112 1.156 5.772 8.633 1.00 0.00 C ATOM 1699 O TYR A 112 1.428 4.591 8.424 1.00 0.00 O ATOM 1700 CB TYR A 112 2.625 7.682 9.305 1.00 0.00 C ATOM 1701 CG TYR A 112 3.504 6.865 10.225 1.00 0.00 C ATOM 1702 CD1 TYR A 112 4.841 6.638 9.920 1.00 0.00 C ATOM 1703 CD2 TYR A 112 2.998 6.319 11.398 1.00 0.00 C ATOM 1704 CE1 TYR A 112 5.647 5.891 10.756 1.00 0.00 C ATOM 1705 CE2 TYR A 112 3.798 5.572 12.241 1.00 0.00 C ATOM 1706 CZ TYR A 112 5.122 5.361 11.916 1.00 0.00 C ATOM 1707 OH TYR A 112 5.921 4.616 12.753 1.00 0.00 O ATOM 0 H TYR A 112 1.379 8.756 7.471 1.00 0.00 H new ATOM 0 HA TYR A 112 2.892 6.433 7.577 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.199 8.526 8.923 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.796 8.094 9.880 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.256 7.053 9.014 1.00 0.00 H new ATOM 0 HD2 TYR A 112 1.962 6.481 11.655 1.00 0.00 H new ATOM 0 HE1 TYR A 112 6.683 5.723 10.503 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.389 5.155 13.150 1.00 0.00 H new ATOM 0 HH TYR A 112 5.397 4.318 13.526 1.00 0.00 H new ATOM 1717 N GLU A 113 0.074 6.160 9.301 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.877 5.194 9.840 1.00 0.00 C ATOM 1719 C GLU A 113 -1.360 4.241 8.751 1.00 0.00 C ATOM 1720 O GLU A 113 -1.273 3.021 8.895 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.071 5.916 10.467 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.780 5.104 11.537 1.00 0.00 C ATOM 1723 CD GLU A 113 -3.748 5.936 12.356 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -4.407 6.823 11.775 1.00 0.00 O ATOM 1725 OE2 GLU A 113 -3.845 5.699 13.579 1.00 0.00 O ATOM 0 H GLU A 113 -0.166 7.135 9.482 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.369 4.612 10.609 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -1.729 6.855 10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -2.784 6.169 9.683 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -3.321 4.283 11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.039 4.658 12.200 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.869 4.806 7.662 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.367 4.007 6.547 1.00 0.00 C ATOM 1734 C LEU A 114 -1.419 2.853 6.238 1.00 0.00 C ATOM 1735 O LEU A 114 -1.843 1.702 6.124 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.545 4.883 5.306 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.861 5.656 5.213 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.693 6.893 4.343 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -4.966 4.764 4.666 1.00 0.00 C ATOM 0 H LEU A 114 -1.948 5.814 7.527 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.334 3.592 6.832 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.723 5.598 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.455 4.250 4.423 1.00 0.00 H new ATOM 0 HG LEU A 114 -4.143 5.977 6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.640 7.431 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.932 7.542 4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.387 6.594 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.895 5.331 4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.691 4.413 3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.104 3.909 5.328 1.00 0.00 H new ATOM 1751 N ILE A 115 -0.135 3.168 6.105 1.00 0.00 N ATOM 1752 CA ILE A 115 0.873 2.157 5.812 1.00 0.00 C ATOM 1753 C ILE A 115 0.835 1.030 6.839 1.00 0.00 C ATOM 1754 O ILE A 115 0.481 -0.103 6.517 1.00 0.00 O ATOM 1755 CB ILE A 115 2.288 2.764 5.785 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.373 3.867 4.727 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.323 1.683 5.515 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.397 4.933 5.047 1.00 0.00 C ATOM 0 H ILE A 115 0.232 4.115 6.196 1.00 0.00 H new ATOM 0 HA ILE A 115 0.640 1.755 4.826 1.00 0.00 H new ATOM 0 HB ILE A 115 2.497 3.204 6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.617 3.418 3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.394 4.335 4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.318 2.128 5.499 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.275 0.929 6.301 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.119 1.216 4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.403 5.682 4.255 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.143 5.409 5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.384 4.478 5.123 1.00 0.00 H new ATOM 1770 N GLU A 116 1.202 1.351 8.076 1.00 0.00 N ATOM 1771 CA GLU A 116 1.209 0.365 9.150 1.00 0.00 C ATOM 1772 C GLU A 116 0.058 -0.624 8.988 1.00 0.00 C ATOM 1773 O GLU A 116 0.219 -1.824 9.209 1.00 0.00 O ATOM 1774 CB GLU A 116 1.112 1.059 10.510 1.00 0.00 C ATOM 1775 CG GLU A 116 2.285 1.978 10.809 1.00 0.00 C ATOM 1776 CD GLU A 116 3.441 1.252 11.470 1.00 0.00 C ATOM 1777 OE1 GLU A 116 4.021 0.353 10.826 1.00 0.00 O ATOM 1778 OE2 GLU A 116 3.764 1.583 12.630 1.00 0.00 O ATOM 0 H GLU A 116 1.498 2.285 8.359 1.00 0.00 H new ATOM 0 HA GLU A 116 2.148 -0.185 9.097 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.189 1.638 10.548 1.00 0.00 H new ATOM 0 HB3 GLU A 116 1.046 0.302 11.291 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.630 2.434 9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 116 1.951 2.788 11.457 1.00 0.00 H new ATOM 1785 N LYS A 117 -1.106 -0.110 8.602 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.285 -0.946 8.409 1.00 0.00 C ATOM 1787 C LYS A 117 -2.083 -1.913 7.247 1.00 0.00 C ATOM 1788 O LYS A 117 -2.252 -3.122 7.397 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.516 -0.074 8.152 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.831 -0.824 8.285 1.00 0.00 C ATOM 1791 CD LYS A 117 -5.106 -1.216 9.727 1.00 0.00 C ATOM 1792 CE LYS A 117 -6.598 -1.321 10.001 1.00 0.00 C ATOM 1793 NZ LYS A 117 -6.876 -1.744 11.402 1.00 0.00 N ATOM 0 H LYS A 117 -1.257 0.882 8.417 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.441 -1.527 9.318 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.512 0.762 8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.448 0.349 7.150 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.645 -0.201 7.915 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.805 -1.718 7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.627 -2.171 9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.663 -0.479 10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -7.071 -0.357 9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -7.045 -2.036 9.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -7.904 -1.804 11.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -6.447 -2.675 11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -6.472 -1.049 12.061 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.718 -1.372 6.089 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.497 -2.202 4.919 1.00 0.00 C ATOM 1809 C GLY A 118 -0.825 -3.518 5.260 1.00 0.00 C ATOM 1810 O GLY A 118 -1.270 -4.581 4.827 1.00 0.00 O ATOM 0 H GLY A 118 -1.571 -0.374 5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.452 -2.401 4.433 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -0.881 -1.658 4.203 1.00 0.00 H new ATOM 1814 N LYS A 119 0.250 -3.447 6.037 1.00 0.00 N ATOM 1815 CA LYS A 119 0.986 -4.641 6.437 1.00 0.00 C ATOM 1816 C LYS A 119 0.114 -5.557 7.289 1.00 0.00 C ATOM 1817 O LYS A 119 -0.077 -6.727 6.961 1.00 0.00 O ATOM 1818 CB LYS A 119 2.247 -4.252 7.212 1.00 0.00 C ATOM 1819 CG LYS A 119 3.349 -3.685 6.335 1.00 0.00 C ATOM 1820 CD LYS A 119 4.579 -3.321 7.150 1.00 0.00 C ATOM 1821 CE LYS A 119 4.420 -1.968 7.826 1.00 0.00 C ATOM 1822 NZ LYS A 119 5.632 -1.590 8.604 1.00 0.00 N ATOM 0 H LYS A 119 0.632 -2.575 6.403 1.00 0.00 H new ATOM 0 HA LYS A 119 1.274 -5.180 5.534 1.00 0.00 H new ATOM 0 HB2 LYS A 119 1.984 -3.516 7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 119 2.626 -5.129 7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.620 -4.415 5.572 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.982 -2.801 5.814 1.00 0.00 H new ATOM 0 HD2 LYS A 119 4.756 -4.087 7.905 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.455 -3.304 6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.221 -1.207 7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.556 -1.993 8.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.361 -0.953 9.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.074 -2.446 8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.309 -1.106 7.980 1.00 0.00 H new ATOM 1836 N GLU A 120 -0.412 -5.016 8.384 1.00 0.00 N ATOM 1837 CA GLU A 120 -1.263 -5.787 9.282 1.00 0.00 C ATOM 1838 C GLU A 120 -2.321 -6.560 8.500 1.00 0.00 C ATOM 1839 O GLU A 120 -2.553 -7.743 8.751 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.939 -4.863 10.298 1.00 0.00 C ATOM 1841 CG GLU A 120 -0.964 -4.185 11.247 1.00 0.00 C ATOM 1842 CD GLU A 120 -1.663 -3.432 12.362 1.00 0.00 C ATOM 1843 OE1 GLU A 120 -2.290 -4.088 13.219 1.00 0.00 O ATOM 1844 OE2 GLU A 120 -1.582 -2.186 12.377 1.00 0.00 O ATOM 0 H GLU A 120 -0.264 -4.048 8.670 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.634 -6.502 9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.503 -4.099 9.763 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.657 -5.440 10.880 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.303 -4.936 11.680 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.337 -3.494 10.684 1.00 0.00 H new ATOM 1851 N ILE A 121 -2.960 -5.882 7.552 1.00 0.00 N ATOM 1852 CA ILE A 121 -3.992 -6.505 6.732 1.00 0.00 C ATOM 1853 C ILE A 121 -3.535 -7.863 6.211 1.00 0.00 C ATOM 1854 O ILE A 121 -4.217 -8.872 6.394 1.00 0.00 O ATOM 1855 CB ILE A 121 -4.377 -5.612 5.538 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -4.925 -4.271 6.032 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -5.400 -6.316 4.659 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -4.907 -3.186 4.978 1.00 0.00 C ATOM 0 H ILE A 121 -2.781 -4.902 7.333 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.865 -6.639 7.371 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.484 -5.422 4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.948 -4.412 6.380 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.339 -3.942 6.890 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.662 -5.673 3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.977 -7.248 4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.294 -6.533 5.243 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.309 -2.264 5.398 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -3.882 -3.017 4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.517 -3.494 4.128 1.00 0.00 H new ATOM 1870 N LEU A 122 -2.376 -7.882 5.561 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.826 -9.117 5.014 1.00 0.00 C ATOM 1872 C LEU A 122 -1.742 -10.198 6.087 1.00 0.00 C ATOM 1873 O LEU A 122 -2.224 -11.314 5.897 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.439 -8.861 4.421 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.386 -7.916 3.220 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.053 -7.546 2.895 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -1.061 -8.550 2.013 1.00 0.00 C ATOM 0 H LEU A 122 -1.799 -7.056 5.400 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.493 -9.466 4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.200 -8.456 5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.011 -9.818 4.124 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.925 -7.004 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.071 -6.873 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.504 -7.051 3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.616 -8.449 2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -1.014 -7.864 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.550 -9.478 1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.103 -8.763 2.249 1.00 0.00 H new