USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 639 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 72 TYR OH : rot 80:sc= 0.149 USER MOD Set 1.2: A 92 SER OG : rot 179:sc= 0.155 USER MOD Set 2.1: A 22 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Set 2.2: A 61 SER OG : rot 160:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0143) USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 0 (180deg=-1.21) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot -127:sc= 1.26 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 176:sc= -1.59 USER MOD Single : A 51 LYS NZ :NH3+ -119:sc=-0.000815 (180deg=-0.0602) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 73 CYS SG : rot -47:sc= -0.177 USER MOD Single : A 76 LYS NZ :NH3+ -123:sc= -0.938 (180deg=-2.43!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -3.45 K(o=-3.5,f=-6.6!) USER MOD Single : A 82 THR OG1 : rot -100:sc= -0.0824 USER MOD Single : A 86 TYR OH : rot 80:sc= -0.149 USER MOD Single : A 89 GLN : amide:sc= 0.542 K(o=0.54,f=-0.47) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.848 USER MOD Single : A 95 HIS : no HD1:sc= -0.196 K(o=-0.2,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 136 N TRP A 13 -6.689 -12.068 0.031 1.00 0.00 N ATOM 137 CA TRP A 13 -6.324 -11.083 -0.981 1.00 0.00 C ATOM 138 C TRP A 13 -4.871 -10.651 -0.822 1.00 0.00 C ATOM 139 O TRP A 13 -4.437 -10.288 0.272 1.00 0.00 O ATOM 140 CB TRP A 13 -7.244 -9.864 -0.891 1.00 0.00 C ATOM 141 CG TRP A 13 -6.844 -8.749 -1.809 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.672 -8.049 -1.786 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.618 -8.205 -2.884 1.00 0.00 C ATOM 144 NE1 TRP A 13 -5.670 -7.102 -2.782 1.00 0.00 N ATOM 145 CE2 TRP A 13 -6.852 -7.178 -3.470 1.00 0.00 C ATOM 146 CE3 TRP A 13 -8.881 -8.486 -3.410 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.311 -6.434 -4.554 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.336 -7.747 -4.485 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.552 -6.731 -5.048 1.00 0.00 C ATOM 0 HA TRP A 13 -6.440 -11.546 -1.961 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.264 -10.169 -1.125 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.249 -9.496 0.135 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.865 -8.215 -1.088 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.911 -6.449 -2.977 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.492 -9.268 -2.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.709 -5.650 -4.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.312 -7.956 -4.898 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -8.935 -6.171 -5.889 1.00 0.00 H new ATOM 160 N HIS A 14 -4.122 -10.692 -1.920 1.00 0.00 N ATOM 161 CA HIS A 14 -2.716 -10.304 -1.901 1.00 0.00 C ATOM 162 C HIS A 14 -2.424 -9.271 -2.986 1.00 0.00 C ATOM 163 O HIS A 14 -3.162 -9.157 -3.965 1.00 0.00 O ATOM 164 CB HIS A 14 -1.824 -11.531 -2.095 1.00 0.00 C ATOM 165 CG HIS A 14 -1.563 -11.861 -3.532 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.505 -12.444 -4.353 1.00 0.00 N ATOM 167 CD2 HIS A 14 -0.459 -11.686 -4.295 1.00 0.00 C ATOM 168 CE1 HIS A 14 -1.991 -12.614 -5.558 1.00 0.00 C ATOM 169 NE2 HIS A 14 -0.750 -12.162 -5.549 1.00 0.00 N ATOM 0 H HIS A 14 -4.465 -10.990 -2.833 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.500 -9.857 -0.930 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.872 -11.361 -1.591 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.291 -12.390 -1.613 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.477 -11.252 -3.976 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.499 -13.049 -6.406 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.112 -12.166 -6.345 1.00 0.00 H new ATOM 178 N LEU A 15 -1.343 -8.521 -2.805 1.00 0.00 N ATOM 179 CA LEU A 15 -0.952 -7.497 -3.767 1.00 0.00 C ATOM 180 C LEU A 15 0.563 -7.322 -3.792 1.00 0.00 C ATOM 181 O LEU A 15 1.253 -7.668 -2.834 1.00 0.00 O ATOM 182 CB LEU A 15 -1.625 -6.166 -3.426 1.00 0.00 C ATOM 183 CG LEU A 15 -1.881 -5.222 -4.602 1.00 0.00 C ATOM 184 CD1 LEU A 15 -2.915 -5.815 -5.547 1.00 0.00 C ATOM 185 CD2 LEU A 15 -2.332 -3.858 -4.103 1.00 0.00 C ATOM 0 H LEU A 15 -0.721 -8.603 -2.001 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.278 -7.820 -4.756 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.578 -6.377 -2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.005 -5.645 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.948 -5.095 -5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.084 -5.130 -6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.552 -6.768 -5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.850 -5.973 -5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.509 -3.200 -4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.253 -3.966 -3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.557 -3.429 -3.467 1.00 0.00 H new ATOM 197 N ALA A 16 1.073 -6.781 -4.894 1.00 0.00 N ATOM 198 CA ALA A 16 2.505 -6.557 -5.042 1.00 0.00 C ATOM 199 C ALA A 16 2.880 -5.131 -4.654 1.00 0.00 C ATOM 200 O ALA A 16 2.089 -4.202 -4.821 1.00 0.00 O ATOM 201 CB ALA A 16 2.940 -6.849 -6.471 1.00 0.00 C ATOM 0 H ALA A 16 0.515 -6.490 -5.697 1.00 0.00 H new ATOM 0 HA ALA A 16 3.026 -7.238 -4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.012 -6.677 -6.567 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.715 -7.887 -6.715 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.404 -6.192 -7.156 1.00 0.00 H new ATOM 207 N VAL A 17 4.092 -4.963 -4.134 1.00 0.00 N ATOM 208 CA VAL A 17 4.572 -3.649 -3.722 1.00 0.00 C ATOM 209 C VAL A 17 5.945 -3.354 -4.317 1.00 0.00 C ATOM 210 O VAL A 17 6.825 -4.215 -4.334 1.00 0.00 O ATOM 211 CB VAL A 17 4.655 -3.538 -2.188 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.050 -2.128 -1.776 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.332 -3.938 -1.553 1.00 0.00 C ATOM 0 H VAL A 17 4.759 -5.720 -3.988 1.00 0.00 H new ATOM 0 HA VAL A 17 3.854 -2.918 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 17 5.424 -4.223 -1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.104 -2.068 -0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.023 -1.884 -2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.306 -1.420 -2.142 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.409 -3.854 -0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.542 -3.279 -1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.096 -4.968 -1.821 1.00 0.00 H new ATOM 223 N LYS A 18 6.121 -2.131 -4.805 1.00 0.00 N ATOM 224 CA LYS A 18 7.387 -1.720 -5.400 1.00 0.00 C ATOM 225 C LYS A 18 7.732 -0.287 -5.008 1.00 0.00 C ATOM 226 O LYS A 18 6.871 0.594 -5.012 1.00 0.00 O ATOM 227 CB LYS A 18 7.321 -1.841 -6.924 1.00 0.00 C ATOM 228 CG LYS A 18 7.333 -3.276 -7.421 1.00 0.00 C ATOM 229 CD LYS A 18 8.737 -3.855 -7.420 1.00 0.00 C ATOM 230 CE LYS A 18 9.551 -3.349 -8.601 1.00 0.00 C ATOM 231 NZ LYS A 18 9.173 -4.033 -9.868 1.00 0.00 N ATOM 0 H LYS A 18 5.403 -1.407 -4.800 1.00 0.00 H new ATOM 0 HA LYS A 18 8.168 -2.380 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.416 -1.349 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.166 -1.307 -7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.687 -3.886 -6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.923 -3.316 -8.430 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.240 -3.590 -6.490 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.683 -4.943 -7.454 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.403 -2.275 -8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.612 -3.507 -8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.806 -3.723 -10.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.257 -5.062 -9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.191 -3.792 -10.113 1.00 0.00 H new ATOM 245 N LEU A 19 8.997 -0.059 -4.671 1.00 0.00 N ATOM 246 CA LEU A 19 9.457 1.269 -4.278 1.00 0.00 C ATOM 247 C LEU A 19 9.869 2.086 -5.498 1.00 0.00 C ATOM 248 O LEU A 19 10.839 1.755 -6.180 1.00 0.00 O ATOM 249 CB LEU A 19 10.632 1.156 -3.305 1.00 0.00 C ATOM 250 CG LEU A 19 10.919 2.393 -2.452 1.00 0.00 C ATOM 251 CD1 LEU A 19 10.144 2.331 -1.145 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.411 2.522 -2.185 1.00 0.00 C ATOM 0 H LEU A 19 9.722 -0.776 -4.662 1.00 0.00 H new ATOM 0 HA LEU A 19 8.631 1.781 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.446 0.315 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.529 0.917 -3.876 1.00 0.00 H new ATOM 0 HG LEU A 19 10.592 3.275 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.360 3.219 -0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.076 2.288 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.440 1.442 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.597 3.407 -1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.764 1.637 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.943 2.614 -3.132 1.00 0.00 H new ATOM 264 N ALA A 20 9.127 3.156 -5.766 1.00 0.00 N ATOM 265 CA ALA A 20 9.418 4.022 -6.901 1.00 0.00 C ATOM 266 C ALA A 20 10.783 4.686 -6.749 1.00 0.00 C ATOM 267 O ALA A 20 11.392 5.107 -7.733 1.00 0.00 O ATOM 268 CB ALA A 20 8.331 5.076 -7.053 1.00 0.00 C ATOM 0 H ALA A 20 8.320 3.443 -5.212 1.00 0.00 H new ATOM 0 HA ALA A 20 9.440 3.406 -7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.561 5.716 -7.905 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.370 4.587 -7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.282 5.681 -6.148 1.00 0.00 H new ATOM 274 N ASP A 21 11.257 4.777 -5.512 1.00 0.00 N ATOM 275 CA ASP A 21 12.551 5.389 -5.231 1.00 0.00 C ATOM 276 C ASP A 21 13.688 4.420 -5.537 1.00 0.00 C ATOM 277 O ASP A 21 14.775 4.832 -5.942 1.00 0.00 O ATOM 278 CB ASP A 21 12.622 5.834 -3.770 1.00 0.00 C ATOM 279 CG ASP A 21 13.683 6.891 -3.538 1.00 0.00 C ATOM 280 OD1 ASP A 21 14.880 6.581 -3.719 1.00 0.00 O ATOM 281 OD2 ASP A 21 13.318 8.029 -3.176 1.00 0.00 O ATOM 0 H ASP A 21 10.765 4.435 -4.687 1.00 0.00 H new ATOM 0 HA ASP A 21 12.660 6.262 -5.874 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.651 6.225 -3.465 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.830 4.970 -3.140 1.00 0.00 H new ATOM 286 N GLN A 22 13.431 3.131 -5.339 1.00 0.00 N ATOM 287 CA GLN A 22 14.434 2.104 -5.591 1.00 0.00 C ATOM 288 C GLN A 22 13.883 1.019 -6.510 1.00 0.00 C ATOM 289 O GLN A 22 13.331 0.014 -6.063 1.00 0.00 O ATOM 290 CB GLN A 22 14.903 1.484 -4.274 1.00 0.00 C ATOM 291 CG GLN A 22 15.612 2.467 -3.357 1.00 0.00 C ATOM 292 CD GLN A 22 16.519 1.781 -2.355 1.00 0.00 C ATOM 293 OE1 GLN A 22 17.509 1.150 -2.727 1.00 0.00 O ATOM 294 NE2 GLN A 22 16.186 1.901 -1.075 1.00 0.00 N ATOM 0 H GLN A 22 12.536 2.773 -5.005 1.00 0.00 H new ATOM 0 HA GLN A 22 15.284 2.576 -6.085 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.042 1.068 -3.751 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.575 0.654 -4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.200 3.160 -3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.870 3.060 -2.823 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.357 2.433 -0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.759 1.461 -0.355 1.00 0.00 H new ATOM 303 N PRO A 23 14.035 1.225 -7.827 1.00 0.00 N ATOM 304 CA PRO A 23 13.559 0.274 -8.837 1.00 0.00 C ATOM 305 C PRO A 23 14.370 -1.017 -8.845 1.00 0.00 C ATOM 306 O PRO A 23 14.025 -1.974 -9.539 1.00 0.00 O ATOM 307 CB PRO A 23 13.746 1.032 -10.153 1.00 0.00 C ATOM 308 CG PRO A 23 14.835 2.010 -9.876 1.00 0.00 C ATOM 309 CD PRO A 23 14.683 2.400 -8.432 1.00 0.00 C ATOM 0 HA PRO A 23 12.531 -0.038 -8.651 1.00 0.00 H new ATOM 0 HB2 PRO A 23 14.018 0.356 -10.964 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.828 1.537 -10.453 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.814 1.567 -10.060 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.752 2.881 -10.526 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.647 2.610 -7.969 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.074 3.297 -8.320 1.00 0.00 H new ATOM 317 N LEU A 24 15.449 -1.037 -8.071 1.00 0.00 N ATOM 318 CA LEU A 24 16.310 -2.212 -7.989 1.00 0.00 C ATOM 319 C LEU A 24 15.947 -3.070 -6.781 1.00 0.00 C ATOM 320 O LEU A 24 16.108 -4.290 -6.803 1.00 0.00 O ATOM 321 CB LEU A 24 17.778 -1.789 -7.905 1.00 0.00 C ATOM 322 CG LEU A 24 18.294 -0.925 -9.056 1.00 0.00 C ATOM 323 CD1 LEU A 24 19.442 -0.044 -8.589 1.00 0.00 C ATOM 324 CD2 LEU A 24 18.729 -1.797 -10.225 1.00 0.00 C ATOM 0 H LEU A 24 15.749 -0.253 -7.491 1.00 0.00 H new ATOM 0 HA LEU A 24 16.160 -2.805 -8.891 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.925 -1.243 -6.973 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.392 -2.688 -7.848 1.00 0.00 H new ATOM 0 HG LEU A 24 17.482 -0.280 -9.393 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.796 0.564 -9.422 1.00 0.00 H new ATOM 0 HD12 LEU A 24 19.098 0.607 -7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 24 20.256 -0.670 -8.225 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.093 -1.165 -11.035 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.525 -2.468 -9.902 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.880 -2.384 -10.577 1.00 0.00 H new ATOM 336 N ALA A 25 15.454 -2.424 -5.730 1.00 0.00 N ATOM 337 CA ALA A 25 15.064 -3.128 -4.514 1.00 0.00 C ATOM 338 C ALA A 25 14.091 -4.261 -4.825 1.00 0.00 C ATOM 339 O ALA A 25 13.324 -4.207 -5.787 1.00 0.00 O ATOM 340 CB ALA A 25 14.448 -2.158 -3.517 1.00 0.00 C ATOM 0 H ALA A 25 15.315 -1.414 -5.696 1.00 0.00 H new ATOM 0 HA ALA A 25 15.960 -3.564 -4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.162 -2.697 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.175 -1.386 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.566 -1.694 -3.958 1.00 0.00 H new ATOM 346 N PRO A 26 14.121 -5.312 -3.993 1.00 0.00 N ATOM 347 CA PRO A 26 13.248 -6.478 -4.158 1.00 0.00 C ATOM 348 C PRO A 26 11.788 -6.156 -3.857 1.00 0.00 C ATOM 349 O PRO A 26 11.489 -5.337 -2.987 1.00 0.00 O ATOM 350 CB PRO A 26 13.796 -7.480 -3.139 1.00 0.00 C ATOM 351 CG PRO A 26 14.458 -6.641 -2.101 1.00 0.00 C ATOM 352 CD PRO A 26 15.009 -5.444 -2.826 1.00 0.00 C ATOM 0 HA PRO A 26 13.252 -6.848 -5.183 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.997 -8.084 -2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.503 -8.169 -3.602 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.747 -6.338 -1.332 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.253 -7.194 -1.601 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.987 -4.551 -2.201 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.046 -5.598 -3.126 1.00 0.00 H new ATOM 360 N LYS A 27 10.882 -6.806 -4.579 1.00 0.00 N ATOM 361 CA LYS A 27 9.453 -6.591 -4.388 1.00 0.00 C ATOM 362 C LYS A 27 8.986 -7.182 -3.062 1.00 0.00 C ATOM 363 O LYS A 27 9.616 -8.090 -2.520 1.00 0.00 O ATOM 364 CB LYS A 27 8.664 -7.215 -5.542 1.00 0.00 C ATOM 365 CG LYS A 27 7.224 -6.739 -5.621 1.00 0.00 C ATOM 366 CD LYS A 27 6.423 -7.550 -6.626 1.00 0.00 C ATOM 367 CE LYS A 27 5.872 -8.823 -6.002 1.00 0.00 C ATOM 368 NZ LYS A 27 4.936 -9.530 -6.920 1.00 0.00 N ATOM 0 H LYS A 27 11.112 -7.487 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 27 9.272 -5.516 -4.371 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.166 -6.984 -6.481 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.674 -8.300 -5.433 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.760 -6.816 -4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.203 -5.686 -5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.601 -6.946 -7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.055 -7.805 -7.476 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.697 -9.487 -5.742 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.355 -8.578 -5.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.215 -10.031 -6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.473 -8.838 -7.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 5.466 -10.215 -7.496 1.00 0.00 H new ATOM 382 N SER A 28 7.879 -6.661 -2.544 1.00 0.00 N ATOM 383 CA SER A 28 7.329 -7.135 -1.279 1.00 0.00 C ATOM 384 C SER A 28 5.846 -7.463 -1.420 1.00 0.00 C ATOM 385 O SER A 28 5.102 -6.747 -2.092 1.00 0.00 O ATOM 386 CB SER A 28 7.529 -6.084 -0.186 1.00 0.00 C ATOM 387 OG SER A 28 7.376 -6.654 1.103 1.00 0.00 O ATOM 0 H SER A 28 7.345 -5.910 -2.981 1.00 0.00 H new ATOM 0 HA SER A 28 7.859 -8.045 -0.999 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.522 -5.644 -0.277 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.809 -5.276 -0.318 1.00 0.00 H new ATOM 0 HG SER A 28 7.510 -5.963 1.784 1.00 0.00 H new ATOM 393 N ILE A 29 5.423 -8.549 -0.782 1.00 0.00 N ATOM 394 CA ILE A 29 4.029 -8.971 -0.835 1.00 0.00 C ATOM 395 C ILE A 29 3.254 -8.462 0.376 1.00 0.00 C ATOM 396 O ILE A 29 3.627 -8.722 1.520 1.00 0.00 O ATOM 397 CB ILE A 29 3.907 -10.505 -0.900 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.768 -11.059 -2.037 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.453 -10.914 -1.081 1.00 0.00 C ATOM 400 CD1 ILE A 29 4.699 -10.235 -3.303 1.00 0.00 C ATOM 0 H ILE A 29 6.026 -9.152 -0.222 1.00 0.00 H new ATOM 0 HA ILE A 29 3.604 -8.542 -1.742 1.00 0.00 H new ATOM 0 HB ILE A 29 4.267 -10.923 0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.805 -11.113 -1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.451 -12.078 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.384 -12.001 -1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.864 -10.547 -0.240 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.068 -10.488 -2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.333 -10.686 -4.066 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.670 -10.202 -3.660 1.00 0.00 H new ATOM 0 HD13 ILE A 29 5.044 -9.222 -3.097 1.00 0.00 H new ATOM 412 N LEU A 30 2.172 -7.736 0.116 1.00 0.00 N ATOM 413 CA LEU A 30 1.342 -7.191 1.185 1.00 0.00 C ATOM 414 C LEU A 30 -0.001 -7.911 1.251 1.00 0.00 C ATOM 415 O LEU A 30 -0.642 -8.145 0.227 1.00 0.00 O ATOM 416 CB LEU A 30 1.120 -5.693 0.971 1.00 0.00 C ATOM 417 CG LEU A 30 0.524 -4.927 2.153 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.610 -4.551 3.148 1.00 0.00 C ATOM 419 CD2 LEU A 30 -0.211 -3.686 1.668 1.00 0.00 C ATOM 0 H LEU A 30 1.849 -7.511 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 30 1.863 -7.344 2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.076 -5.237 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.463 -5.563 0.111 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.193 -5.575 2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.167 -4.007 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.092 -5.455 3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.351 -3.921 2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.629 -3.153 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.485 -3.035 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.016 -3.980 0.995 1.00 0.00 H new ATOM 431 N GLN A 31 -0.422 -8.257 2.464 1.00 0.00 N ATOM 432 CA GLN A 31 -1.690 -8.948 2.664 1.00 0.00 C ATOM 433 C GLN A 31 -2.606 -8.151 3.586 1.00 0.00 C ATOM 434 O GLN A 31 -2.403 -8.116 4.801 1.00 0.00 O ATOM 435 CB GLN A 31 -1.449 -10.342 3.246 1.00 0.00 C ATOM 436 CG GLN A 31 -0.634 -11.248 2.337 1.00 0.00 C ATOM 437 CD GLN A 31 -0.393 -12.617 2.941 1.00 0.00 C ATOM 438 OE1 GLN A 31 0.497 -12.794 3.774 1.00 0.00 O ATOM 439 NE2 GLN A 31 -1.188 -13.597 2.525 1.00 0.00 N ATOM 0 H GLN A 31 0.097 -8.070 3.322 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.178 -9.046 1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.935 -10.244 4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.411 -10.814 3.448 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.152 -11.361 1.385 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.325 -10.775 2.124 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.913 -13.407 1.833 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -1.073 -14.540 2.898 1.00 0.00 H new ATOM 448 N LEU A 32 -3.613 -7.511 3.003 1.00 0.00 N ATOM 449 CA LEU A 32 -4.561 -6.712 3.773 1.00 0.00 C ATOM 450 C LEU A 32 -5.504 -7.607 4.571 1.00 0.00 C ATOM 451 O LEU A 32 -5.820 -8.728 4.174 1.00 0.00 O ATOM 452 CB LEU A 32 -5.366 -5.804 2.843 1.00 0.00 C ATOM 453 CG LEU A 32 -6.228 -6.510 1.795 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.601 -6.834 2.363 1.00 0.00 C ATOM 455 CD2 LEU A 32 -6.355 -5.654 0.544 1.00 0.00 C ATOM 0 H LEU A 32 -3.795 -7.529 1.999 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.996 -6.096 4.472 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.014 -5.175 3.454 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.673 -5.140 2.327 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.740 -7.446 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.200 -7.336 1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.492 -7.487 3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.097 -5.911 2.665 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.972 -6.172 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.819 -4.702 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.365 -5.474 0.124 1.00 0.00 H new ATOM 467 N PRO A 33 -5.966 -7.100 5.724 1.00 0.00 N ATOM 468 CA PRO A 33 -6.883 -7.835 6.600 1.00 0.00 C ATOM 469 C PRO A 33 -8.273 -7.982 5.993 1.00 0.00 C ATOM 470 O PRO A 33 -8.597 -7.335 4.998 1.00 0.00 O ATOM 471 CB PRO A 33 -6.939 -6.968 7.861 1.00 0.00 C ATOM 472 CG PRO A 33 -6.605 -5.595 7.392 1.00 0.00 C ATOM 473 CD PRO A 33 -5.632 -5.769 6.259 1.00 0.00 C ATOM 0 HA PRO A 33 -6.544 -8.855 6.781 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.927 -7.000 8.320 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.228 -7.314 8.611 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.499 -5.068 7.061 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.166 -5.004 8.196 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.750 -4.991 5.505 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.599 -5.723 6.605 1.00 0.00 H new ATOM 598 N LEU A 42 -13.668 -6.647 -2.056 1.00 0.00 N ATOM 599 CA LEU A 42 -13.448 -5.562 -1.105 1.00 0.00 C ATOM 600 C LEU A 42 -14.250 -4.325 -1.495 1.00 0.00 C ATOM 601 O LEU A 42 -15.196 -3.944 -0.807 1.00 0.00 O ATOM 602 CB LEU A 42 -11.959 -5.217 -1.032 1.00 0.00 C ATOM 603 CG LEU A 42 -10.989 -6.370 -1.292 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.552 -5.913 -1.092 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.307 -7.550 -0.385 1.00 0.00 C ATOM 0 HA LEU A 42 -13.786 -5.897 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.754 -4.426 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -11.749 -4.808 -0.044 1.00 0.00 H new ATOM 0 HG LEU A 42 -11.106 -6.692 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.875 -6.746 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.329 -5.100 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.420 -5.564 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.607 -8.361 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.219 -7.242 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.324 -7.893 -0.577 1.00 0.00 H new ATOM 617 N GLY A 43 -13.867 -3.703 -2.606 1.00 0.00 N ATOM 618 CA GLY A 43 -14.562 -2.517 -3.070 1.00 0.00 C ATOM 619 C GLY A 43 -15.053 -1.649 -1.928 1.00 0.00 C ATOM 620 O GLY A 43 -16.253 -1.422 -1.783 1.00 0.00 O ATOM 0 H GLY A 43 -13.087 -4.000 -3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.895 -1.934 -3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.410 -2.814 -3.687 1.00 0.00 H new ATOM 624 N GLY A 44 -14.121 -1.163 -1.113 1.00 0.00 N ATOM 625 CA GLY A 44 -14.485 -0.322 0.012 1.00 0.00 C ATOM 626 C GLY A 44 -13.278 0.304 0.682 1.00 0.00 C ATOM 627 O GLY A 44 -13.342 1.438 1.158 1.00 0.00 O ATOM 0 H GLY A 44 -13.121 -1.337 -1.212 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.156 0.466 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.035 -0.915 0.742 1.00 0.00 H new ATOM 631 N TYR A 45 -12.175 -0.435 0.721 1.00 0.00 N ATOM 632 CA TYR A 45 -10.949 0.054 1.341 1.00 0.00 C ATOM 633 C TYR A 45 -10.536 1.397 0.748 1.00 0.00 C ATOM 634 O TYR A 45 -10.518 1.571 -0.471 1.00 0.00 O ATOM 635 CB TYR A 45 -9.821 -0.964 1.162 1.00 0.00 C ATOM 636 CG TYR A 45 -9.825 -2.062 2.201 1.00 0.00 C ATOM 637 CD1 TYR A 45 -9.477 -1.797 3.520 1.00 0.00 C ATOM 638 CD2 TYR A 45 -10.176 -3.363 1.865 1.00 0.00 C ATOM 639 CE1 TYR A 45 -9.478 -2.797 4.473 1.00 0.00 C ATOM 640 CE2 TYR A 45 -10.181 -4.369 2.811 1.00 0.00 C ATOM 641 CZ TYR A 45 -9.832 -4.081 4.114 1.00 0.00 C ATOM 642 OH TYR A 45 -9.835 -5.081 5.060 1.00 0.00 O ATOM 0 H TYR A 45 -12.105 -1.375 0.331 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.140 0.191 2.405 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -9.901 -1.412 0.172 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -8.864 -0.444 1.199 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.201 -0.792 3.805 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -10.450 -3.592 0.846 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.203 -2.575 5.494 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.457 -5.375 2.532 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.294 -5.834 4.742 1.00 0.00 H new ATOM 652 N SER A 46 -10.205 2.345 1.619 1.00 0.00 N ATOM 653 CA SER A 46 -9.794 3.674 1.184 1.00 0.00 C ATOM 654 C SER A 46 -8.302 3.707 0.868 1.00 0.00 C ATOM 655 O SER A 46 -7.484 3.190 1.631 1.00 0.00 O ATOM 656 CB SER A 46 -10.122 4.711 2.260 1.00 0.00 C ATOM 657 OG SER A 46 -11.453 5.178 2.130 1.00 0.00 O ATOM 0 H SER A 46 -10.214 2.217 2.631 1.00 0.00 H new ATOM 0 HA SER A 46 -10.345 3.917 0.275 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.983 4.271 3.248 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.430 5.550 2.184 1.00 0.00 H new ATOM 0 HG SER A 46 -11.638 5.838 2.830 1.00 0.00 H new ATOM 663 N ILE A 47 -7.955 4.316 -0.260 1.00 0.00 N ATOM 664 CA ILE A 47 -6.562 4.417 -0.676 1.00 0.00 C ATOM 665 C ILE A 47 -5.646 4.652 0.520 1.00 0.00 C ATOM 666 O ILE A 47 -4.654 3.947 0.703 1.00 0.00 O ATOM 667 CB ILE A 47 -6.359 5.555 -1.694 1.00 0.00 C ATOM 668 CG1 ILE A 47 -7.037 5.207 -3.022 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.876 5.820 -1.904 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.673 3.836 -3.545 1.00 0.00 C ATOM 0 H ILE A 47 -8.619 4.747 -0.903 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.305 3.468 -1.147 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.817 6.462 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.118 5.263 -2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.765 5.955 -3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.749 6.627 -2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.420 6.106 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.395 4.917 -2.280 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.190 3.657 -4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.596 3.782 -3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.970 3.079 -2.819 1.00 0.00 H new ATOM 682 N SER A 48 -5.988 5.646 1.334 1.00 0.00 N ATOM 683 CA SER A 48 -5.195 5.975 2.513 1.00 0.00 C ATOM 684 C SER A 48 -4.783 4.711 3.260 1.00 0.00 C ATOM 685 O SER A 48 -3.616 4.539 3.616 1.00 0.00 O ATOM 686 CB SER A 48 -5.986 6.897 3.443 1.00 0.00 C ATOM 687 OG SER A 48 -6.744 7.839 2.705 1.00 0.00 O ATOM 0 H SER A 48 -6.808 6.237 1.199 1.00 0.00 H new ATOM 0 HA SER A 48 -4.293 6.490 2.183 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.650 6.303 4.070 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.301 7.420 4.110 1.00 0.00 H new ATOM 0 HG SER A 48 -7.290 8.373 3.319 1.00 0.00 H new ATOM 693 N PHE A 49 -5.748 3.828 3.495 1.00 0.00 N ATOM 694 CA PHE A 49 -5.486 2.580 4.202 1.00 0.00 C ATOM 695 C PHE A 49 -4.180 1.950 3.727 1.00 0.00 C ATOM 696 O PHE A 49 -3.244 1.772 4.507 1.00 0.00 O ATOM 697 CB PHE A 49 -6.643 1.600 3.994 1.00 0.00 C ATOM 698 CG PHE A 49 -6.638 0.453 4.963 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.574 0.682 6.328 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.699 -0.855 4.510 1.00 0.00 C ATOM 701 CE1 PHE A 49 -6.569 -0.372 7.222 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.694 -1.913 5.399 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.630 -1.671 6.757 1.00 0.00 C ATOM 0 H PHE A 49 -6.718 3.954 3.206 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.395 2.805 5.265 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.586 2.139 4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.598 1.207 2.978 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.527 1.696 6.698 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.751 -1.050 3.449 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.517 -0.180 8.284 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.740 -2.928 5.032 1.00 0.00 H new ATOM 0 HZ PHE A 49 -6.628 -2.496 7.454 1.00 0.00 H new ATOM 713 N LEU A 50 -4.125 1.613 2.443 1.00 0.00 N ATOM 714 CA LEU A 50 -2.934 1.002 1.863 1.00 0.00 C ATOM 715 C LEU A 50 -1.676 1.757 2.281 1.00 0.00 C ATOM 716 O LEU A 50 -0.758 1.181 2.866 1.00 0.00 O ATOM 717 CB LEU A 50 -3.042 0.975 0.337 1.00 0.00 C ATOM 718 CG LEU A 50 -3.817 -0.201 -0.259 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.022 -0.002 -1.753 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.091 -1.510 0.011 1.00 0.00 C ATOM 0 H LEU A 50 -4.891 1.752 1.784 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.863 -0.020 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.516 1.900 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.034 0.969 -0.079 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.796 -0.246 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.575 -0.848 -2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.585 0.916 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.053 0.070 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.657 -2.336 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.099 -1.476 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.996 -1.658 1.087 1.00 0.00 H new ATOM 732 N LYS A 51 -1.640 3.050 1.979 1.00 0.00 N ATOM 733 CA LYS A 51 -0.497 3.886 2.326 1.00 0.00 C ATOM 734 C LYS A 51 0.033 3.536 3.713 1.00 0.00 C ATOM 735 O LYS A 51 1.205 3.759 4.013 1.00 0.00 O ATOM 736 CB LYS A 51 -0.887 5.365 2.276 1.00 0.00 C ATOM 737 CG LYS A 51 -0.688 6.001 0.911 1.00 0.00 C ATOM 738 CD LYS A 51 -1.935 5.879 0.052 1.00 0.00 C ATOM 739 CE LYS A 51 -2.054 7.037 -0.927 1.00 0.00 C ATOM 740 NZ LYS A 51 -2.797 8.186 -0.338 1.00 0.00 N ATOM 0 H LYS A 51 -2.390 3.542 1.494 1.00 0.00 H new ATOM 0 HA LYS A 51 0.292 3.699 1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.933 5.466 2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.298 5.912 3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.431 7.053 1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.151 5.524 0.405 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.909 4.938 -0.498 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.817 5.850 0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.058 7.363 -1.226 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.563 6.699 -1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.652 8.372 -0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.068 7.959 0.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.190 9.031 -0.342 1.00 0.00 H new ATOM 754 N GLN A 52 -0.838 2.984 4.552 1.00 0.00 N ATOM 755 CA GLN A 52 -0.456 2.602 5.906 1.00 0.00 C ATOM 756 C GLN A 52 0.170 1.212 5.923 1.00 0.00 C ATOM 757 O GLN A 52 1.228 1.003 6.519 1.00 0.00 O ATOM 758 CB GLN A 52 -1.674 2.638 6.831 1.00 0.00 C ATOM 759 CG GLN A 52 -2.543 3.872 6.647 1.00 0.00 C ATOM 760 CD GLN A 52 -3.350 4.207 7.885 1.00 0.00 C ATOM 761 OE1 GLN A 52 -3.510 3.376 8.780 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.865 5.430 7.943 1.00 0.00 N ATOM 0 H GLN A 52 -1.812 2.792 4.318 1.00 0.00 H new ATOM 0 HA GLN A 52 0.284 3.318 6.264 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.279 1.749 6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.335 2.594 7.866 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.911 4.722 6.389 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.221 3.713 5.808 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.707 6.087 7.179 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.418 5.713 8.752 1.00 0.00 H new ATOM 771 N LEU A 53 -0.489 0.263 5.267 1.00 0.00 N ATOM 772 CA LEU A 53 0.003 -1.109 5.207 1.00 0.00 C ATOM 773 C LEU A 53 1.387 -1.163 4.568 1.00 0.00 C ATOM 774 O LEU A 53 2.298 -1.803 5.094 1.00 0.00 O ATOM 775 CB LEU A 53 -0.971 -1.986 4.418 1.00 0.00 C ATOM 776 CG LEU A 53 -2.291 -2.318 5.114 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.346 -1.273 4.785 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.770 -3.706 4.715 1.00 0.00 C ATOM 0 H LEU A 53 -1.366 0.419 4.769 1.00 0.00 H new ATOM 0 HA LEU A 53 0.079 -1.488 6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.196 -1.487 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.468 -2.921 4.171 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.124 -2.309 6.191 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.279 -1.526 5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.006 -0.294 5.122 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.511 -1.249 3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.711 -3.925 5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.920 -3.743 3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.023 -4.445 5.003 1.00 0.00 H new ATOM 790 N ILE A 54 1.537 -0.487 3.435 1.00 0.00 N ATOM 791 CA ILE A 54 2.811 -0.456 2.727 1.00 0.00 C ATOM 792 C ILE A 54 3.884 0.240 3.557 1.00 0.00 C ATOM 793 O ILE A 54 5.027 -0.211 3.616 1.00 0.00 O ATOM 794 CB ILE A 54 2.683 0.260 1.369 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.984 -0.647 0.354 1.00 0.00 C ATOM 796 CG2 ILE A 54 4.055 0.677 0.860 1.00 0.00 C ATOM 797 CD1 ILE A 54 0.478 -0.508 0.357 1.00 0.00 C ATOM 0 H ILE A 54 0.792 0.047 2.987 1.00 0.00 H new ATOM 0 HA ILE A 54 3.103 -1.492 2.556 1.00 0.00 H new ATOM 0 HB ILE A 54 2.078 1.157 1.502 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.360 -0.420 -0.644 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.246 -1.684 0.565 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.949 1.182 -0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.518 1.355 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.682 -0.206 0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.049 -1.180 -0.386 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.091 -0.764 1.343 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.207 0.520 0.116 1.00 0.00 H new ATOM 809 N ALA A 55 3.507 1.341 4.199 1.00 0.00 N ATOM 810 CA ALA A 55 4.435 2.097 5.030 1.00 0.00 C ATOM 811 C ALA A 55 4.932 1.258 6.202 1.00 0.00 C ATOM 812 O ALA A 55 5.965 1.558 6.799 1.00 0.00 O ATOM 813 CB ALA A 55 3.775 3.372 5.533 1.00 0.00 C ATOM 0 H ALA A 55 2.565 1.729 4.159 1.00 0.00 H new ATOM 0 HA ALA A 55 5.296 2.364 4.418 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.480 3.927 6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.476 3.987 4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.895 3.118 6.124 1.00 0.00 H new ATOM 819 N GLY A 56 4.188 0.205 6.528 1.00 0.00 N ATOM 820 CA GLY A 56 4.569 -0.660 7.629 1.00 0.00 C ATOM 821 C GLY A 56 5.536 -1.748 7.204 1.00 0.00 C ATOM 822 O GLY A 56 6.293 -2.271 8.022 1.00 0.00 O ATOM 0 H GLY A 56 3.329 -0.064 6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.025 -0.061 8.417 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.675 -1.118 8.053 1.00 0.00 H new ATOM 826 N LYS A 57 5.511 -2.091 5.920 1.00 0.00 N ATOM 827 CA LYS A 57 6.391 -3.123 5.386 1.00 0.00 C ATOM 828 C LYS A 57 7.675 -2.512 4.835 1.00 0.00 C ATOM 829 O LYS A 57 8.730 -3.148 4.841 1.00 0.00 O ATOM 830 CB LYS A 57 5.676 -3.913 4.287 1.00 0.00 C ATOM 831 CG LYS A 57 4.836 -5.064 4.814 1.00 0.00 C ATOM 832 CD LYS A 57 5.702 -6.240 5.234 1.00 0.00 C ATOM 833 CE LYS A 57 4.931 -7.549 5.174 1.00 0.00 C ATOM 834 NZ LYS A 57 5.617 -8.632 5.931 1.00 0.00 N ATOM 0 H LYS A 57 4.890 -1.669 5.230 1.00 0.00 H new ATOM 0 HA LYS A 57 6.652 -3.799 6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.036 -3.236 3.722 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.418 -4.304 3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.245 -4.724 5.664 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.133 -5.385 4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.575 -6.301 4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.069 -6.079 6.247 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.930 -7.400 5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.811 -7.853 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.060 -9.508 5.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.562 -8.792 5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.709 -8.354 6.929 1.00 0.00 H new ATOM 848 N LEU A 58 7.579 -1.275 4.361 1.00 0.00 N ATOM 849 CA LEU A 58 8.734 -0.577 3.807 1.00 0.00 C ATOM 850 C LEU A 58 9.346 0.366 4.838 1.00 0.00 C ATOM 851 O LEU A 58 9.992 1.353 4.484 1.00 0.00 O ATOM 852 CB LEU A 58 8.330 0.208 2.558 1.00 0.00 C ATOM 853 CG LEU A 58 7.540 -0.569 1.504 1.00 0.00 C ATOM 854 CD1 LEU A 58 7.257 0.309 0.294 1.00 0.00 C ATOM 855 CD2 LEU A 58 8.293 -1.824 1.090 1.00 0.00 C ATOM 0 H LEU A 58 6.714 -0.735 4.349 1.00 0.00 H new ATOM 0 HA LEU A 58 9.481 -1.322 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.735 1.067 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.234 0.599 2.091 1.00 0.00 H new ATOM 0 HG LEU A 58 6.587 -0.869 1.940 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.694 -0.261 -0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.675 1.177 0.603 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.199 0.640 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.716 -2.364 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.261 -1.547 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.443 -2.462 1.961 1.00 0.00 H new ATOM 867 N GLN A 59 9.140 0.055 6.113 1.00 0.00 N ATOM 868 CA GLN A 59 9.673 0.874 7.195 1.00 0.00 C ATOM 869 C GLN A 59 11.176 1.079 7.033 1.00 0.00 C ATOM 870 O GLN A 59 11.763 1.956 7.665 1.00 0.00 O ATOM 871 CB GLN A 59 9.378 0.225 8.548 1.00 0.00 C ATOM 872 CG GLN A 59 7.937 0.390 9.001 1.00 0.00 C ATOM 873 CD GLN A 59 7.708 1.684 9.757 1.00 0.00 C ATOM 874 OE1 GLN A 59 8.231 2.735 9.386 1.00 0.00 O ATOM 875 NE2 GLN A 59 6.922 1.614 10.826 1.00 0.00 N ATOM 0 H GLN A 59 8.608 -0.758 6.422 1.00 0.00 H new ATOM 0 HA GLN A 59 9.185 1.848 7.153 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.612 -0.838 8.490 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.038 0.657 9.300 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.281 0.361 8.131 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.661 -0.451 9.637 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.509 0.722 11.098 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.732 2.452 11.375 1.00 0.00 H new ATOM 884 N GLU A 60 11.791 0.264 6.182 1.00 0.00 N ATOM 885 CA GLU A 60 13.226 0.357 5.939 1.00 0.00 C ATOM 886 C GLU A 60 13.562 1.609 5.134 1.00 0.00 C ATOM 887 O GLU A 60 14.616 2.216 5.321 1.00 0.00 O ATOM 888 CB GLU A 60 13.721 -0.887 5.198 1.00 0.00 C ATOM 889 CG GLU A 60 13.087 -1.073 3.829 1.00 0.00 C ATOM 890 CD GLU A 60 13.403 -2.425 3.220 1.00 0.00 C ATOM 891 OE1 GLU A 60 12.866 -3.439 3.715 1.00 0.00 O ATOM 892 OE2 GLU A 60 14.186 -2.471 2.248 1.00 0.00 O ATOM 0 H GLU A 60 11.319 -0.467 5.650 1.00 0.00 H new ATOM 0 HA GLU A 60 13.729 0.421 6.904 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.803 -0.824 5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.516 -1.768 5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.006 -0.961 3.915 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.437 -0.287 3.160 1.00 0.00 H new ATOM 899 N SER A 61 12.657 1.989 4.237 1.00 0.00 N ATOM 900 CA SER A 61 12.859 3.166 3.400 1.00 0.00 C ATOM 901 C SER A 61 11.775 4.208 3.659 1.00 0.00 C ATOM 902 O SER A 61 12.068 5.388 3.857 1.00 0.00 O ATOM 903 CB SER A 61 12.860 2.772 1.921 1.00 0.00 C ATOM 904 OG SER A 61 14.153 2.374 1.500 1.00 0.00 O ATOM 0 H SER A 61 11.778 1.499 4.072 1.00 0.00 H new ATOM 0 HA SER A 61 13.826 3.601 3.654 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.154 1.957 1.758 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.520 3.613 1.317 1.00 0.00 H new ATOM 0 HG SER A 61 14.080 1.837 0.684 1.00 0.00 H new ATOM 910 N VAL A 62 10.522 3.764 3.656 1.00 0.00 N ATOM 911 CA VAL A 62 9.394 4.658 3.892 1.00 0.00 C ATOM 912 C VAL A 62 9.393 5.174 5.326 1.00 0.00 C ATOM 913 O VAL A 62 9.251 4.415 6.285 1.00 0.00 O ATOM 914 CB VAL A 62 8.053 3.955 3.609 1.00 0.00 C ATOM 915 CG1 VAL A 62 6.889 4.833 4.040 1.00 0.00 C ATOM 916 CG2 VAL A 62 7.942 3.593 2.136 1.00 0.00 C ATOM 0 H VAL A 62 10.262 2.791 3.493 1.00 0.00 H new ATOM 0 HA VAL A 62 9.507 5.499 3.207 1.00 0.00 H new ATOM 0 HB VAL A 62 8.016 3.033 4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.950 4.320 3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 62 6.963 5.037 5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.919 5.773 3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.989 3.097 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.001 4.499 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.757 2.923 1.864 1.00 0.00 H new ATOM 926 N PRO A 63 9.553 6.497 5.479 1.00 0.00 N ATOM 927 CA PRO A 63 9.573 7.145 6.794 1.00 0.00 C ATOM 928 C PRO A 63 8.204 7.134 7.466 1.00 0.00 C ATOM 929 O PRO A 63 8.072 6.730 8.621 1.00 0.00 O ATOM 930 CB PRO A 63 10.001 8.579 6.476 1.00 0.00 C ATOM 931 CG PRO A 63 9.584 8.794 5.062 1.00 0.00 C ATOM 932 CD PRO A 63 9.727 7.461 4.381 1.00 0.00 C ATOM 0 HA PRO A 63 10.236 6.633 7.491 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.519 9.293 7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.077 8.707 6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.556 9.151 5.008 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.208 9.547 4.581 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.975 7.324 3.603 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.702 7.356 3.904 1.00 0.00 H new ATOM 940 N ASP A 64 7.188 7.580 6.735 1.00 0.00 N ATOM 941 CA ASP A 64 5.828 7.620 7.260 1.00 0.00 C ATOM 942 C ASP A 64 4.809 7.399 6.147 1.00 0.00 C ATOM 943 O ASP A 64 5.044 7.724 4.983 1.00 0.00 O ATOM 944 CB ASP A 64 5.565 8.959 7.951 1.00 0.00 C ATOM 945 CG ASP A 64 5.923 8.930 9.424 1.00 0.00 C ATOM 946 OD1 ASP A 64 7.125 9.037 9.745 1.00 0.00 O ATOM 947 OD2 ASP A 64 5.000 8.803 10.256 1.00 0.00 O ATOM 0 H ASP A 64 7.281 7.919 5.777 1.00 0.00 H new ATOM 0 HA ASP A 64 5.722 6.817 7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.142 9.740 7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.513 9.221 7.841 1.00 0.00 H new ATOM 952 N PRO A 65 3.649 6.831 6.510 1.00 0.00 N ATOM 953 CA PRO A 65 2.571 6.553 5.556 1.00 0.00 C ATOM 954 C PRO A 65 1.902 7.827 5.050 1.00 0.00 C ATOM 955 O PRO A 65 1.266 7.828 3.997 1.00 0.00 O ATOM 956 CB PRO A 65 1.582 5.718 6.373 1.00 0.00 C ATOM 957 CG PRO A 65 1.831 6.112 7.788 1.00 0.00 C ATOM 958 CD PRO A 65 3.301 6.418 7.880 1.00 0.00 C ATOM 0 HA PRO A 65 2.938 6.050 4.661 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.553 5.925 6.080 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.748 4.651 6.224 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.233 6.981 8.062 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.556 5.308 8.471 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.502 7.209 8.602 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.874 5.546 8.195 1.00 0.00 H new ATOM 966 N GLU A 66 2.051 8.909 5.807 1.00 0.00 N ATOM 967 CA GLU A 66 1.460 10.189 5.434 1.00 0.00 C ATOM 968 C GLU A 66 2.415 10.993 4.556 1.00 0.00 C ATOM 969 O GLU A 66 1.985 11.791 3.721 1.00 0.00 O ATOM 970 CB GLU A 66 1.100 10.994 6.685 1.00 0.00 C ATOM 971 CG GLU A 66 0.254 10.222 7.683 1.00 0.00 C ATOM 972 CD GLU A 66 -0.597 11.128 8.550 1.00 0.00 C ATOM 973 OE1 GLU A 66 -0.023 11.964 9.279 1.00 0.00 O ATOM 974 OE2 GLU A 66 -1.839 11.001 8.501 1.00 0.00 O ATOM 0 H GLU A 66 2.575 8.925 6.682 1.00 0.00 H new ATOM 0 HA GLU A 66 0.552 9.989 4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.018 11.319 7.174 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.563 11.894 6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.392 9.528 7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.906 9.623 8.320 1.00 0.00 H new ATOM 981 N LEU A 67 3.711 10.779 4.751 1.00 0.00 N ATOM 982 CA LEU A 67 4.728 11.484 3.977 1.00 0.00 C ATOM 983 C LEU A 67 5.006 10.765 2.661 1.00 0.00 C ATOM 984 O LEU A 67 5.985 11.062 1.975 1.00 0.00 O ATOM 985 CB LEU A 67 6.020 11.605 4.788 1.00 0.00 C ATOM 986 CG LEU A 67 5.864 12.088 6.230 1.00 0.00 C ATOM 987 CD1 LEU A 67 7.220 12.175 6.913 1.00 0.00 C ATOM 988 CD2 LEU A 67 5.158 13.435 6.269 1.00 0.00 C ATOM 0 H LEU A 67 4.083 10.123 5.438 1.00 0.00 H new ATOM 0 HA LEU A 67 4.352 12.482 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.509 10.631 4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.690 12.289 4.267 1.00 0.00 H new ATOM 0 HG LEU A 67 5.253 11.365 6.771 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.089 12.520 7.939 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.688 11.191 6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.856 12.876 6.372 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.056 13.763 7.304 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.742 14.168 5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.170 13.341 5.819 1.00 0.00 H new ATOM 1000 N ILE A 68 4.138 9.821 2.313 1.00 0.00 N ATOM 1001 CA ILE A 68 4.288 9.063 1.077 1.00 0.00 C ATOM 1002 C ILE A 68 2.959 8.947 0.339 1.00 0.00 C ATOM 1003 O ILE A 68 1.902 9.253 0.890 1.00 0.00 O ATOM 1004 CB ILE A 68 4.838 7.650 1.347 1.00 0.00 C ATOM 1005 CG1 ILE A 68 4.022 6.961 2.442 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.307 7.720 1.738 1.00 0.00 C ATOM 1007 CD1 ILE A 68 2.834 6.188 1.914 1.00 0.00 C ATOM 0 H ILE A 68 3.323 9.563 2.870 1.00 0.00 H new ATOM 0 HA ILE A 68 4.999 9.608 0.456 1.00 0.00 H new ATOM 0 HB ILE A 68 4.752 7.062 0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.671 6.281 2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.671 7.712 3.150 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.682 6.714 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.878 8.175 0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.415 8.322 2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.302 5.726 2.746 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.164 6.867 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.179 5.414 1.229 1.00 0.00 H new ATOM 1019 N ASP A 69 3.020 8.500 -0.911 1.00 0.00 N ATOM 1020 CA ASP A 69 1.821 8.339 -1.725 1.00 0.00 C ATOM 1021 C ASP A 69 1.846 7.010 -2.473 1.00 0.00 C ATOM 1022 O ASP A 69 2.875 6.334 -2.526 1.00 0.00 O ATOM 1023 CB ASP A 69 1.695 9.495 -2.718 1.00 0.00 C ATOM 1024 CG ASP A 69 1.517 10.834 -2.030 1.00 0.00 C ATOM 1025 OD1 ASP A 69 0.573 10.964 -1.223 1.00 0.00 O ATOM 1026 OD2 ASP A 69 2.321 11.751 -2.298 1.00 0.00 O ATOM 0 H ASP A 69 3.887 8.243 -1.382 1.00 0.00 H new ATOM 0 HA ASP A 69 0.957 8.345 -1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.585 9.529 -3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.846 9.313 -3.377 1.00 0.00 H new ATOM 1031 N LEU A 70 0.708 6.639 -3.048 1.00 0.00 N ATOM 1032 CA LEU A 70 0.598 5.389 -3.793 1.00 0.00 C ATOM 1033 C LEU A 70 0.345 5.658 -5.273 1.00 0.00 C ATOM 1034 O LEU A 70 -0.463 6.515 -5.629 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.529 4.528 -3.219 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.380 3.018 -3.404 1.00 0.00 C ATOM 1037 CD1 LEU A 70 0.990 2.555 -2.932 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.481 2.278 -2.658 1.00 0.00 C ATOM 0 H LEU A 70 -0.152 7.186 -3.013 1.00 0.00 H new ATOM 0 HA LEU A 70 1.542 4.852 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.612 4.737 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.467 4.839 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.472 2.791 -4.466 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.078 1.478 -3.071 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.764 3.060 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.111 2.795 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.359 1.204 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.421 2.512 -1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.453 2.587 -3.043 1.00 0.00 H new ATOM 1050 N ILE A 71 1.041 4.917 -6.130 1.00 0.00 N ATOM 1051 CA ILE A 71 0.889 5.074 -7.571 1.00 0.00 C ATOM 1052 C ILE A 71 0.414 3.777 -8.218 1.00 0.00 C ATOM 1053 O ILE A 71 0.995 2.713 -8.000 1.00 0.00 O ATOM 1054 CB ILE A 71 2.210 5.510 -8.232 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.741 6.783 -7.570 1.00 0.00 C ATOM 1056 CG2 ILE A 71 2.008 5.727 -9.725 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.843 7.985 -7.764 1.00 0.00 C ATOM 0 H ILE A 71 1.714 4.203 -5.851 1.00 0.00 H new ATOM 0 HA ILE A 71 0.140 5.851 -7.727 1.00 0.00 H new ATOM 0 HB ILE A 71 2.947 4.718 -8.096 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.867 6.602 -6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.728 7.008 -7.974 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.950 6.035 -10.179 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.670 4.799 -10.185 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.259 6.503 -9.882 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.282 8.851 -7.268 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.737 8.192 -8.829 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.862 7.780 -7.335 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.645 3.872 -9.014 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.199 2.706 -9.692 1.00 0.00 C ATOM 1071 C TYR A 72 -1.574 3.041 -11.132 1.00 0.00 C ATOM 1072 O TYR A 72 -2.168 4.086 -11.404 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.426 2.189 -8.941 1.00 0.00 C ATOM 1074 CG TYR A 72 -3.101 1.017 -9.618 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -4.037 1.217 -10.626 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -2.803 -0.289 -9.251 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -4.656 0.150 -11.247 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -3.416 -1.363 -9.867 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.343 -1.138 -10.864 1.00 0.00 C ATOM 1080 OH TYR A 72 -4.957 -2.204 -11.481 1.00 0.00 O ATOM 0 H TYR A 72 -1.137 4.745 -9.206 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.435 1.928 -9.706 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.128 1.894 -7.935 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.146 3.001 -8.836 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.284 2.224 -10.929 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -2.079 -0.468 -8.470 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -5.381 0.323 -12.028 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -3.171 -2.372 -9.570 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.522 -2.379 -12.342 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.224 2.148 -12.051 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.523 2.347 -13.465 1.00 0.00 C ATOM 1092 C CYS A 73 -0.849 3.610 -13.990 1.00 0.00 C ATOM 1093 O CYS A 73 -1.334 4.241 -14.928 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.034 2.434 -13.680 1.00 0.00 C ATOM 1095 SG CYS A 73 -3.532 2.455 -15.418 1.00 0.00 S ATOM 0 H CYS A 73 -0.733 1.279 -11.842 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.133 1.492 -14.018 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.510 1.586 -13.187 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.408 3.336 -13.195 1.00 0.00 H new ATOM 0 HG CYS A 73 -2.792 3.301 -16.071 1.00 0.00 H new ATOM 1101 N GLY A 74 0.274 3.975 -13.378 1.00 0.00 N ATOM 1102 CA GLY A 74 0.995 5.162 -13.796 1.00 0.00 C ATOM 1103 C GLY A 74 0.321 6.441 -13.341 1.00 0.00 C ATOM 1104 O GLY A 74 0.512 7.499 -13.941 1.00 0.00 O ATOM 0 H GLY A 74 0.697 3.469 -12.600 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.008 5.127 -13.396 1.00 0.00 H new ATOM 0 HA3 GLY A 74 1.081 5.167 -14.883 1.00 0.00 H new ATOM 1108 N ARG A 75 -0.472 6.344 -12.278 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.179 7.502 -11.745 1.00 0.00 C ATOM 1110 C ARG A 75 -1.447 7.335 -10.252 1.00 0.00 C ATOM 1111 O ARG A 75 -1.837 6.260 -9.797 1.00 0.00 O ATOM 1112 CB ARG A 75 -2.498 7.709 -12.491 1.00 0.00 C ATOM 1113 CG ARG A 75 -3.633 6.838 -11.975 1.00 0.00 C ATOM 1114 CD ARG A 75 -4.926 7.104 -12.729 1.00 0.00 C ATOM 1115 NE ARG A 75 -4.807 6.786 -14.150 1.00 0.00 N ATOM 1116 CZ ARG A 75 -5.759 7.037 -15.041 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -6.894 7.606 -14.661 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -5.576 6.719 -16.317 1.00 0.00 N ATOM 0 H ARG A 75 -0.640 5.476 -11.770 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.548 8.379 -11.888 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.790 8.756 -12.412 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.344 7.500 -13.550 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.361 5.787 -12.076 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.785 7.028 -10.912 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.729 6.512 -12.291 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.204 8.152 -12.614 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.946 6.347 -14.475 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.038 7.852 -13.682 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.623 7.798 -15.348 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.704 6.282 -16.614 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.308 6.912 -17.001 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.235 8.407 -9.495 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.454 8.381 -8.054 1.00 0.00 C ATOM 1134 C LYS A 76 -2.935 8.208 -7.732 1.00 0.00 C ATOM 1135 O LYS A 76 -3.799 8.481 -8.566 1.00 0.00 O ATOM 1136 CB LYS A 76 -0.929 9.668 -7.414 1.00 0.00 C ATOM 1137 CG LYS A 76 -1.060 9.692 -5.901 1.00 0.00 C ATOM 1138 CD LYS A 76 -0.311 10.868 -5.296 1.00 0.00 C ATOM 1139 CE LYS A 76 1.115 10.948 -5.816 1.00 0.00 C ATOM 1140 NZ LYS A 76 1.211 11.781 -7.048 1.00 0.00 N ATOM 0 H LYS A 76 -0.912 9.304 -9.856 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.909 7.530 -7.644 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.120 9.795 -7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.470 10.518 -7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.113 9.750 -5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.674 8.761 -5.486 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.837 11.794 -5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.299 10.773 -4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.760 11.367 -5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.481 9.943 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.628 11.218 -7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.261 12.098 -7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.811 12.610 -6.861 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.223 7.755 -6.516 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.600 7.547 -6.083 1.00 0.00 C ATOM 1156 C LEU A 77 -4.927 8.417 -4.873 1.00 0.00 C ATOM 1157 O LEU A 77 -4.223 8.385 -3.863 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.832 6.074 -5.744 1.00 0.00 C ATOM 1159 CG LEU A 77 -4.120 5.059 -6.639 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -4.173 3.671 -6.019 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.737 5.048 -8.030 1.00 0.00 C ATOM 0 H LEU A 77 -2.521 7.525 -5.813 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.260 7.833 -6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.516 5.905 -4.714 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.903 5.877 -5.786 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.075 5.354 -6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.661 2.962 -6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.683 3.688 -5.045 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -5.212 3.367 -5.897 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.217 4.320 -8.653 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.791 4.778 -7.959 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.645 6.038 -8.476 1.00 0.00 H new ATOM 1173 N LYS A 78 -6.001 9.192 -4.981 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.425 10.068 -3.895 1.00 0.00 C ATOM 1175 C LYS A 78 -6.832 9.257 -2.669 1.00 0.00 C ATOM 1176 O LYS A 78 -7.113 8.063 -2.769 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.591 10.948 -4.349 1.00 0.00 C ATOM 1178 CG LYS A 78 -7.155 12.261 -4.977 1.00 0.00 C ATOM 1179 CD LYS A 78 -8.199 13.347 -4.780 1.00 0.00 C ATOM 1180 CE LYS A 78 -7.969 14.112 -3.486 1.00 0.00 C ATOM 1181 NZ LYS A 78 -7.000 15.228 -3.665 1.00 0.00 N ATOM 0 H LYS A 78 -6.594 9.231 -5.810 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.582 10.704 -3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.195 10.394 -5.068 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.230 11.160 -3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.210 12.580 -4.537 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.978 12.115 -6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.170 14.038 -5.623 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.193 12.900 -4.768 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.918 14.510 -3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.599 13.429 -2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.871 15.724 -2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.087 14.847 -3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.365 15.894 -4.376 1.00 0.00 H new ATOM 1195 N ASP A 79 -6.864 9.914 -1.515 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.240 9.254 -0.270 1.00 0.00 C ATOM 1197 C ASP A 79 -8.757 9.194 -0.124 1.00 0.00 C ATOM 1198 O ASP A 79 -9.276 8.629 0.839 1.00 0.00 O ATOM 1199 CB ASP A 79 -6.629 9.987 0.925 1.00 0.00 C ATOM 1200 CG ASP A 79 -6.497 11.478 0.684 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -5.578 11.881 -0.059 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -7.314 12.243 1.239 1.00 0.00 O ATOM 0 H ASP A 79 -6.634 10.903 -1.416 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.855 8.235 -0.297 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.248 9.818 1.806 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.646 9.568 1.140 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.463 9.781 -1.084 1.00 0.00 N ATOM 1208 CA ASP A 80 -10.921 9.794 -1.063 1.00 0.00 C ATOM 1209 C ASP A 80 -11.488 8.719 -1.984 1.00 0.00 C ATOM 1210 O ASP A 80 -12.701 8.619 -2.163 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.446 11.169 -1.480 1.00 0.00 C ATOM 1212 CG ASP A 80 -12.789 11.490 -0.855 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -13.822 11.090 -1.431 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -12.807 12.142 0.211 1.00 0.00 O ATOM 0 H ASP A 80 -9.049 10.254 -1.887 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.247 9.583 -0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.723 11.933 -1.193 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.536 11.207 -2.566 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.601 7.918 -2.566 1.00 0.00 N ATOM 1220 CA GLN A 81 -11.014 6.851 -3.471 1.00 0.00 C ATOM 1221 C GLN A 81 -10.852 5.486 -2.811 1.00 0.00 C ATOM 1222 O GLN A 81 -10.244 5.366 -1.747 1.00 0.00 O ATOM 1223 CB GLN A 81 -10.198 6.906 -4.764 1.00 0.00 C ATOM 1224 CG GLN A 81 -10.053 8.308 -5.332 1.00 0.00 C ATOM 1225 CD GLN A 81 -11.279 8.754 -6.105 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -12.376 8.231 -5.908 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -11.099 9.727 -6.992 1.00 0.00 N ATOM 0 H GLN A 81 -9.593 7.987 -2.427 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.068 6.997 -3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.206 6.495 -4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.671 6.268 -5.510 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.867 9.008 -4.518 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.183 8.342 -5.987 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.172 10.132 -7.123 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.888 10.068 -7.541 1.00 0.00 H new ATOM 1236 N THR A 82 -11.400 4.457 -3.450 1.00 0.00 N ATOM 1237 CA THR A 82 -11.318 3.100 -2.925 1.00 0.00 C ATOM 1238 C THR A 82 -10.747 2.142 -3.964 1.00 0.00 C ATOM 1239 O THR A 82 -10.632 2.484 -5.142 1.00 0.00 O ATOM 1240 CB THR A 82 -12.699 2.587 -2.475 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.575 2.482 -3.604 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.310 3.517 -1.438 1.00 0.00 C ATOM 0 H THR A 82 -11.906 4.538 -4.332 1.00 0.00 H new ATOM 0 HA THR A 82 -10.653 3.135 -2.062 1.00 0.00 H new ATOM 0 HB THR A 82 -12.567 1.603 -2.025 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.168 3.262 -3.631 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.285 3.134 -1.135 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.656 3.572 -0.568 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.428 4.512 -1.866 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.391 0.940 -3.522 1.00 0.00 N ATOM 1251 CA LEU A 83 -9.832 -0.069 -4.415 1.00 0.00 C ATOM 1252 C LEU A 83 -10.723 -0.268 -5.637 1.00 0.00 C ATOM 1253 O LEU A 83 -10.244 -0.285 -6.771 1.00 0.00 O ATOM 1254 CB LEU A 83 -9.659 -1.395 -3.673 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.455 -1.488 -2.736 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.199 -1.846 -3.515 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.263 -0.180 -1.982 1.00 0.00 C ATOM 0 H LEU A 83 -10.480 0.641 -2.551 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.856 0.280 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.562 -1.583 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.582 -2.194 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.645 -2.278 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.352 -1.908 -2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.338 -2.808 -4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.005 -1.079 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.401 -0.265 -1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.096 0.629 -2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.154 0.034 -1.392 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.021 -0.417 -5.398 1.00 0.00 N ATOM 1270 CA ASP A 84 -12.980 -0.612 -6.479 1.00 0.00 C ATOM 1271 C ASP A 84 -13.094 0.643 -7.338 1.00 0.00 C ATOM 1272 O ASP A 84 -13.112 0.568 -8.566 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.351 -0.984 -5.912 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.487 -0.570 -6.827 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -15.368 -0.777 -8.053 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.496 -0.039 -6.316 1.00 0.00 O ATOM 0 H ASP A 84 -12.433 -0.406 -4.465 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.622 -1.428 -7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.394 -2.061 -5.749 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.480 -0.509 -4.939 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.172 1.797 -6.682 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.286 3.069 -7.386 1.00 0.00 C ATOM 1283 C PHE A 85 -12.374 3.099 -8.608 1.00 0.00 C ATOM 1284 O PHE A 85 -12.773 3.547 -9.683 1.00 0.00 O ATOM 1285 CB PHE A 85 -12.939 4.227 -6.448 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.472 5.554 -6.910 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -12.851 6.244 -7.938 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -14.595 6.109 -6.317 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -13.339 7.465 -8.365 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -15.088 7.329 -6.740 1.00 0.00 C ATOM 1291 CZ PHE A 85 -14.459 8.007 -7.766 1.00 0.00 C ATOM 0 H PHE A 85 -13.158 1.877 -5.665 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.317 3.178 -7.722 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.335 4.011 -5.456 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.855 4.294 -6.351 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.976 5.824 -8.411 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -15.091 5.582 -5.515 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -12.845 7.994 -9.166 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.963 7.751 -6.269 1.00 0.00 H new ATOM 0 HZ PHE A 85 -14.843 8.960 -8.099 1.00 0.00 H new ATOM 1301 N TYR A 86 -11.148 2.619 -8.435 1.00 0.00 N ATOM 1302 CA TYR A 86 -10.177 2.593 -9.523 1.00 0.00 C ATOM 1303 C TYR A 86 -10.203 1.249 -10.245 1.00 0.00 C ATOM 1304 O TYR A 86 -9.860 1.157 -11.422 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.771 2.868 -8.986 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.502 4.331 -8.716 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -8.420 5.247 -9.758 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.330 4.799 -7.419 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -8.173 6.584 -9.517 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -8.084 6.135 -7.168 1.00 0.00 C ATOM 1311 CZ TYR A 86 -8.006 7.023 -8.220 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.762 8.355 -7.975 1.00 0.00 O ATOM 0 H TYR A 86 -10.803 2.243 -7.552 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.447 3.373 -10.235 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.626 2.304 -8.064 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -8.038 2.499 -9.704 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.552 4.907 -10.775 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.390 4.106 -6.593 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.111 7.282 -10.339 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.954 6.482 -6.154 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.605 8.854 -8.012 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.615 0.208 -9.528 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.680 -1.118 -10.115 1.00 0.00 C ATOM 1324 C GLY A 87 -9.382 -1.885 -9.960 1.00 0.00 C ATOM 1325 O GLY A 87 -9.059 -2.744 -10.781 1.00 0.00 O ATOM 0 H GLY A 87 -10.905 0.259 -8.551 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.488 -1.680 -9.647 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.923 -1.032 -11.174 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.635 -1.575 -8.906 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.365 -2.241 -8.647 1.00 0.00 C ATOM 1331 C ILE A 88 -7.557 -3.745 -8.481 1.00 0.00 C ATOM 1332 O ILE A 88 -8.400 -4.190 -7.702 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.682 -1.680 -7.386 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.107 -0.290 -7.666 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.589 -2.626 -6.911 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.006 0.581 -6.434 1.00 0.00 C ATOM 0 H ILE A 88 -8.888 -0.866 -8.217 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.727 -2.051 -9.510 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.427 -1.591 -6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.116 -0.398 -8.107 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.732 0.211 -8.405 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.115 -2.216 -6.019 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.025 -3.597 -6.677 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.843 -2.743 -7.697 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.590 1.551 -6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.998 0.719 -6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.357 0.101 -5.702 1.00 0.00 H new ATOM 1348 N GLN A 89 -6.769 -4.521 -9.217 1.00 0.00 N ATOM 1349 CA GLN A 89 -6.852 -5.976 -9.150 1.00 0.00 C ATOM 1350 C GLN A 89 -5.850 -6.532 -8.144 1.00 0.00 C ATOM 1351 O GLN A 89 -4.792 -5.952 -7.899 1.00 0.00 O ATOM 1352 CB GLN A 89 -6.599 -6.586 -10.530 1.00 0.00 C ATOM 1353 CG GLN A 89 -7.752 -6.390 -11.502 1.00 0.00 C ATOM 1354 CD GLN A 89 -9.106 -6.561 -10.843 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -9.514 -7.676 -10.517 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -9.812 -5.454 -10.643 1.00 0.00 N ATOM 0 H GLN A 89 -6.066 -4.168 -9.866 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.856 -6.243 -8.821 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.698 -6.143 -10.954 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.407 -7.653 -10.417 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.688 -5.394 -11.939 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.658 -7.104 -12.320 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.435 -4.550 -10.929 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.731 -5.508 -10.203 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.189 -7.684 -7.546 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.332 -8.345 -6.557 1.00 0.00 C ATOM 1367 C PRO A 90 -4.068 -8.927 -7.181 1.00 0.00 C ATOM 1368 O PRO A 90 -3.266 -9.564 -6.501 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.221 -9.463 -6.008 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.193 -9.745 -7.101 1.00 0.00 C ATOM 1371 CD PRO A 90 -7.434 -8.431 -7.791 1.00 0.00 C ATOM 0 HA PRO A 90 -4.978 -7.650 -5.795 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.636 -10.349 -5.760 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.730 -9.152 -5.096 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.794 -10.484 -7.797 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.122 -10.152 -6.702 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.619 -8.565 -8.857 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.301 -7.914 -7.379 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.898 -8.702 -8.481 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.729 -9.211 -9.174 1.00 0.00 C ATOM 1381 C GLY A 91 -1.880 -8.105 -9.768 1.00 0.00 C ATOM 1382 O GLY A 91 -0.944 -8.369 -10.523 1.00 0.00 O ATOM 0 H GLY A 91 -4.548 -8.177 -9.066 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.125 -9.796 -8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.047 -9.887 -9.968 1.00 0.00 H new ATOM 1386 N SER A 92 -2.207 -6.863 -9.428 1.00 0.00 N ATOM 1387 CA SER A 92 -1.471 -5.712 -9.938 1.00 0.00 C ATOM 1388 C SER A 92 -0.408 -5.262 -8.940 1.00 0.00 C ATOM 1389 O SER A 92 -0.338 -5.766 -7.819 1.00 0.00 O ATOM 1390 CB SER A 92 -2.430 -4.556 -10.233 1.00 0.00 C ATOM 1391 OG SER A 92 -3.207 -4.821 -11.389 1.00 0.00 O ATOM 0 H SER A 92 -2.977 -6.628 -8.802 1.00 0.00 H new ATOM 0 HA SER A 92 -0.976 -6.009 -10.862 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.087 -4.397 -9.378 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.863 -3.636 -10.375 1.00 0.00 H new ATOM 0 HG SER A 92 -3.820 -4.073 -11.550 1.00 0.00 H new ATOM 1397 N THR A 93 0.421 -4.310 -9.357 1.00 0.00 N ATOM 1398 CA THR A 93 1.482 -3.792 -8.503 1.00 0.00 C ATOM 1399 C THR A 93 1.380 -2.278 -8.355 1.00 0.00 C ATOM 1400 O THR A 93 1.082 -1.569 -9.317 1.00 0.00 O ATOM 1401 CB THR A 93 2.874 -4.150 -9.057 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.978 -5.565 -9.246 1.00 0.00 O ATOM 1403 CG2 THR A 93 3.970 -3.677 -8.114 1.00 0.00 C ATOM 0 H THR A 93 0.378 -3.882 -10.282 1.00 0.00 H new ATOM 0 HA THR A 93 1.357 -4.258 -7.526 1.00 0.00 H new ATOM 0 HB THR A 93 2.999 -3.646 -10.016 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.865 -5.783 -9.600 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.944 -3.941 -8.526 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.907 -2.595 -7.996 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.846 -4.155 -7.143 1.00 0.00 H new ATOM 1411 N VAL A 94 1.629 -1.788 -7.145 1.00 0.00 N ATOM 1412 CA VAL A 94 1.567 -0.357 -6.872 1.00 0.00 C ATOM 1413 C VAL A 94 2.938 0.189 -6.490 1.00 0.00 C ATOM 1414 O VAL A 94 3.688 -0.448 -5.750 1.00 0.00 O ATOM 1415 CB VAL A 94 0.569 -0.044 -5.742 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.853 -0.355 -6.184 1.00 0.00 C ATOM 1417 CG2 VAL A 94 0.927 -0.822 -4.485 1.00 0.00 C ATOM 0 H VAL A 94 1.876 -2.361 -6.338 1.00 0.00 H new ATOM 0 HA VAL A 94 1.229 0.126 -7.789 1.00 0.00 H new ATOM 0 HB VAL A 94 0.628 1.020 -5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.544 -0.128 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.104 0.251 -7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.931 -1.411 -6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.211 -0.589 -3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.897 -1.891 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.929 -0.545 -4.159 1.00 0.00 H new ATOM 1427 N HIS A 95 3.259 1.375 -6.998 1.00 0.00 N ATOM 1428 CA HIS A 95 4.541 2.009 -6.709 1.00 0.00 C ATOM 1429 C HIS A 95 4.364 3.174 -5.741 1.00 0.00 C ATOM 1430 O HIS A 95 3.450 3.986 -5.890 1.00 0.00 O ATOM 1431 CB HIS A 95 5.194 2.499 -8.002 1.00 0.00 C ATOM 1432 CG HIS A 95 5.598 1.392 -8.926 1.00 0.00 C ATOM 1433 ND1 HIS A 95 6.808 0.737 -8.833 1.00 0.00 N ATOM 1434 CD2 HIS A 95 4.943 0.824 -9.966 1.00 0.00 C ATOM 1435 CE1 HIS A 95 6.881 -0.185 -9.776 1.00 0.00 C ATOM 1436 NE2 HIS A 95 5.762 -0.153 -10.477 1.00 0.00 N ATOM 0 H HIS A 95 2.650 1.916 -7.611 1.00 0.00 H new ATOM 0 HA HIS A 95 5.189 1.267 -6.242 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.500 3.160 -8.522 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.074 3.092 -7.753 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.960 1.090 -10.326 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.714 -0.852 -9.945 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.542 -0.756 -11.270 1.00 0.00 H new ATOM 1445 N VAL A 96 5.243 3.250 -4.747 1.00 0.00 N ATOM 1446 CA VAL A 96 5.185 4.316 -3.754 1.00 0.00 C ATOM 1447 C VAL A 96 6.136 5.453 -4.111 1.00 0.00 C ATOM 1448 O VAL A 96 7.267 5.220 -4.537 1.00 0.00 O ATOM 1449 CB VAL A 96 5.532 3.793 -2.348 1.00 0.00 C ATOM 1450 CG1 VAL A 96 5.786 4.951 -1.395 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.422 2.895 -1.824 1.00 0.00 C ATOM 0 H VAL A 96 6.004 2.586 -4.608 1.00 0.00 H new ATOM 0 HA VAL A 96 4.161 4.690 -3.752 1.00 0.00 H new ATOM 0 HB VAL A 96 6.445 3.202 -2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.030 4.562 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 96 6.618 5.550 -1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.892 5.572 -1.330 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.685 2.535 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.491 3.460 -1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.294 2.046 -2.495 1.00 0.00 H new ATOM 1461 N LEU A 97 5.670 6.684 -3.934 1.00 0.00 N ATOM 1462 CA LEU A 97 6.479 7.860 -4.237 1.00 0.00 C ATOM 1463 C LEU A 97 6.518 8.815 -3.049 1.00 0.00 C ATOM 1464 O LEU A 97 5.480 9.298 -2.594 1.00 0.00 O ATOM 1465 CB LEU A 97 5.926 8.580 -5.468 1.00 0.00 C ATOM 1466 CG LEU A 97 6.875 9.565 -6.152 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.201 10.725 -5.223 1.00 0.00 C ATOM 1468 CD2 LEU A 97 8.149 8.860 -6.594 1.00 0.00 C ATOM 0 H LEU A 97 4.736 6.894 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 97 7.496 7.527 -4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.625 7.829 -6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.025 9.119 -5.175 1.00 0.00 H new ATOM 0 HG LEU A 97 6.378 9.963 -7.037 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.877 11.416 -5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.282 11.247 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.678 10.345 -4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.812 9.577 -7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.649 8.433 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.900 8.064 -7.296 1.00 0.00 H new ATOM 1480 N ARG A 98 7.720 9.085 -2.553 1.00 0.00 N ATOM 1481 CA ARG A 98 7.894 9.984 -1.418 1.00 0.00 C ATOM 1482 C ARG A 98 7.549 11.420 -1.804 1.00 0.00 C ATOM 1483 O ARG A 98 7.968 11.911 -2.852 1.00 0.00 O ATOM 1484 CB ARG A 98 9.333 9.916 -0.901 1.00 0.00 C ATOM 1485 CG ARG A 98 9.760 8.521 -0.474 1.00 0.00 C ATOM 1486 CD ARG A 98 10.900 8.572 0.531 1.00 0.00 C ATOM 1487 NE ARG A 98 12.184 8.845 -0.110 1.00 0.00 N ATOM 1488 CZ ARG A 98 13.324 8.983 0.558 1.00 0.00 C ATOM 1489 NH1 ARG A 98 13.340 8.873 1.879 1.00 0.00 N ATOM 1490 NH2 ARG A 98 14.451 9.230 -0.097 1.00 0.00 N ATOM 0 H ARG A 98 8.588 8.694 -2.919 1.00 0.00 H new ATOM 0 HA ARG A 98 7.215 9.665 -0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.007 10.271 -1.680 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.439 10.595 -0.055 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.910 7.997 -0.036 1.00 0.00 H new ATOM 0 HG3 ARG A 98 10.070 7.950 -1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.694 9.343 1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.956 7.623 1.064 1.00 0.00 H new ATOM 0 HE ARG A 98 12.206 8.935 -1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.475 8.682 2.385 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.217 8.979 2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.442 9.314 -1.113 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.326 9.336 0.416 1.00 0.00 H new