USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 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 4:sc= 0.0864 USER MOD Set 1.2: A 89 GLN : amide:sc= -2.81! C(o=-2.7!,f=-2.9!) USER MOD Single : A 14 HIS : no HD1:sc= -0.234 X(o=-0.23,f=-0.0013) USER MOD Single : A 18 LYS NZ :NH3+ -164:sc= -0.0114 (180deg=-0.177) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc=-0.00111 (180deg=-0.597) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.346 F(o=-1.9,f=-0.35) USER MOD Single : A 45 TYR OH : rot 120:sc= 0.775 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -118:sc= 0.00166 (180deg=-0.664) USER MOD Single : A 52 GLN : amide:sc= -0.0317 K(o=-0.032,f=-1.1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 110:sc= 1.81 USER MOD Single : A 76 LYS NZ :NH3+ -150:sc= 0.6 (180deg=0.124) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -3.12 K(o=-3.1,f=-8.1!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.00615 USER MOD Single : A 86 TYR OH : rot 30:sc= -0.289 USER MOD Single : A 92 SER OG : rot -74:sc= 0.898 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -3.38 X(o=-3.4,f=-3.7) USER MOD ----------------------------------------------------------------- ATOM 136 N TRP A 13 -6.957 -12.214 -0.282 1.00 0.00 N ATOM 137 CA TRP A 13 -6.611 -11.121 -1.184 1.00 0.00 C ATOM 138 C TRP A 13 -5.209 -10.597 -0.891 1.00 0.00 C ATOM 139 O TRP A 13 -4.903 -10.212 0.238 1.00 0.00 O ATOM 140 CB TRP A 13 -7.629 -9.987 -1.059 1.00 0.00 C ATOM 141 CG TRP A 13 -7.378 -8.855 -2.009 1.00 0.00 C ATOM 142 CD1 TRP A 13 -6.286 -8.035 -2.035 1.00 0.00 C ATOM 143 CD2 TRP A 13 -8.237 -8.418 -3.067 1.00 0.00 C ATOM 144 NE1 TRP A 13 -6.415 -7.114 -3.047 1.00 0.00 N ATOM 145 CE2 TRP A 13 -7.602 -7.329 -3.696 1.00 0.00 C ATOM 146 CE3 TRP A 13 -9.479 -8.843 -3.547 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -8.170 -6.660 -4.777 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -10.041 -8.177 -4.620 1.00 0.00 C ATOM 149 CH2 TRP A 13 -9.387 -7.096 -5.226 1.00 0.00 C ATOM 0 HA TRP A 13 -6.630 -11.505 -2.204 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.628 -10.385 -1.235 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.613 -9.605 -0.038 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.445 -8.101 -1.360 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.737 -6.388 -3.277 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.990 -9.676 -3.088 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.668 -5.826 -5.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -11.001 -8.495 -4.998 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.852 -6.597 -6.063 1.00 0.00 H new ATOM 160 N HIS A 14 -4.361 -10.584 -1.915 1.00 0.00 N ATOM 161 CA HIS A 14 -2.991 -10.105 -1.767 1.00 0.00 C ATOM 162 C HIS A 14 -2.641 -9.109 -2.869 1.00 0.00 C ATOM 163 O HIS A 14 -3.366 -8.980 -3.856 1.00 0.00 O ATOM 164 CB HIS A 14 -2.012 -11.279 -1.795 1.00 0.00 C ATOM 165 CG HIS A 14 -1.568 -11.656 -3.175 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.217 -12.599 -3.943 1.00 0.00 N ATOM 167 CD2 HIS A 14 -0.534 -11.209 -3.925 1.00 0.00 C ATOM 168 CE1 HIS A 14 -1.600 -12.718 -5.105 1.00 0.00 C ATOM 169 NE2 HIS A 14 -0.576 -11.884 -5.120 1.00 0.00 N ATOM 0 H HIS A 14 -4.598 -10.899 -2.856 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.912 -9.598 -0.805 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -1.137 -11.026 -1.197 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.480 -12.143 -1.324 1.00 0.00 H new ATOM 0 HD2 HIS A 14 0.190 -10.461 -3.637 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.884 -13.384 -5.906 1.00 0.00 H new ATOM 0 HE2 HIS A 14 0.077 -11.761 -5.894 1.00 0.00 H new ATOM 178 N LEU A 15 -1.528 -8.407 -2.693 1.00 0.00 N ATOM 179 CA LEU A 15 -1.082 -7.422 -3.672 1.00 0.00 C ATOM 180 C LEU A 15 0.436 -7.274 -3.644 1.00 0.00 C ATOM 181 O LEU A 15 1.088 -7.647 -2.668 1.00 0.00 O ATOM 182 CB LEU A 15 -1.742 -6.069 -3.400 1.00 0.00 C ATOM 183 CG LEU A 15 -1.945 -5.165 -4.617 1.00 0.00 C ATOM 184 CD1 LEU A 15 -3.037 -5.721 -5.518 1.00 0.00 C ATOM 185 CD2 LEU A 15 -2.283 -3.748 -4.178 1.00 0.00 C ATOM 0 H LEU A 15 -0.917 -8.501 -1.881 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.376 -7.771 -4.662 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.713 -6.247 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.136 -5.532 -2.670 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.014 -5.136 -5.184 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.168 -5.065 -6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.755 -6.717 -5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.972 -5.780 -4.962 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.424 -3.119 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.200 -3.759 -3.588 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.468 -3.350 -3.574 1.00 0.00 H new ATOM 197 N ALA A 16 0.993 -6.727 -4.719 1.00 0.00 N ATOM 198 CA ALA A 16 2.433 -6.527 -4.816 1.00 0.00 C ATOM 199 C ALA A 16 2.810 -5.087 -4.486 1.00 0.00 C ATOM 200 O ALA A 16 2.001 -4.172 -4.638 1.00 0.00 O ATOM 201 CB ALA A 16 2.925 -6.897 -6.207 1.00 0.00 C ATOM 0 H ALA A 16 0.468 -6.414 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 16 2.915 -7.178 -4.087 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.002 -6.743 -6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.697 -7.944 -6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.428 -6.270 -6.947 1.00 0.00 H new ATOM 207 N VAL A 17 4.044 -4.892 -4.032 1.00 0.00 N ATOM 208 CA VAL A 17 4.529 -3.563 -3.680 1.00 0.00 C ATOM 209 C VAL A 17 5.891 -3.290 -4.307 1.00 0.00 C ATOM 210 O VAL A 17 6.804 -4.112 -4.219 1.00 0.00 O ATOM 211 CB VAL A 17 4.636 -3.390 -2.153 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.223 -2.030 -1.809 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.274 -3.573 -1.500 1.00 0.00 C ATOM 0 H VAL A 17 4.726 -5.638 -3.899 1.00 0.00 H new ATOM 0 HA VAL A 17 3.803 -2.849 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 17 5.306 -4.157 -1.764 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.291 -1.926 -0.726 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.218 -1.942 -2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.581 -1.245 -2.209 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.368 -3.447 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.579 -2.830 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.898 -4.573 -1.718 1.00 0.00 H new ATOM 223 N LYS A 18 6.023 -2.130 -4.942 1.00 0.00 N ATOM 224 CA LYS A 18 7.275 -1.747 -5.584 1.00 0.00 C ATOM 225 C LYS A 18 7.684 -0.334 -5.178 1.00 0.00 C ATOM 226 O LYS A 18 6.834 0.524 -4.937 1.00 0.00 O ATOM 227 CB LYS A 18 7.138 -1.832 -7.106 1.00 0.00 C ATOM 228 CG LYS A 18 7.306 -3.238 -7.654 1.00 0.00 C ATOM 229 CD LYS A 18 8.757 -3.687 -7.602 1.00 0.00 C ATOM 230 CE LYS A 18 9.562 -3.108 -8.756 1.00 0.00 C ATOM 231 NZ LYS A 18 9.198 -3.736 -10.056 1.00 0.00 N ATOM 0 H LYS A 18 5.278 -1.439 -5.026 1.00 0.00 H new ATOM 0 HA LYS A 18 8.050 -2.440 -5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.158 -1.453 -7.396 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.881 -1.181 -7.566 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.689 -3.929 -7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.950 -3.273 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.201 -3.377 -6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.803 -4.776 -7.635 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.394 -2.033 -8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.625 -3.255 -8.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.933 -3.525 -10.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.120 -4.766 -9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.286 -3.356 -10.382 1.00 0.00 H new ATOM 245 N LEU A 19 8.989 -0.100 -5.105 1.00 0.00 N ATOM 246 CA LEU A 19 9.511 1.210 -4.730 1.00 0.00 C ATOM 247 C LEU A 19 9.884 2.022 -5.966 1.00 0.00 C ATOM 248 O LEU A 19 10.678 1.580 -6.795 1.00 0.00 O ATOM 249 CB LEU A 19 10.732 1.053 -3.822 1.00 0.00 C ATOM 250 CG LEU A 19 10.961 2.171 -2.804 1.00 0.00 C ATOM 251 CD1 LEU A 19 10.247 1.859 -1.499 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.449 2.378 -2.565 1.00 0.00 C ATOM 0 H LEU A 19 9.705 -0.799 -5.300 1.00 0.00 H new ATOM 0 HA LEU A 19 8.729 1.744 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.639 0.111 -3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.619 0.974 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 19 10.547 3.095 -3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.421 2.666 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.177 1.763 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.630 0.924 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.593 3.177 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.888 1.456 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.934 2.649 -3.503 1.00 0.00 H new ATOM 264 N ALA A 20 9.307 3.214 -6.081 1.00 0.00 N ATOM 265 CA ALA A 20 9.581 4.090 -7.213 1.00 0.00 C ATOM 266 C ALA A 20 10.974 4.703 -7.107 1.00 0.00 C ATOM 267 O ALA A 20 11.617 4.983 -8.119 1.00 0.00 O ATOM 268 CB ALA A 20 8.527 5.183 -7.302 1.00 0.00 C ATOM 0 H ALA A 20 8.647 3.595 -5.403 1.00 0.00 H new ATOM 0 HA ALA A 20 9.544 3.490 -8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.744 5.830 -8.152 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.544 4.731 -7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.536 5.773 -6.386 1.00 0.00 H new ATOM 274 N ASP A 21 11.432 4.909 -5.878 1.00 0.00 N ATOM 275 CA ASP A 21 12.749 5.489 -5.641 1.00 0.00 C ATOM 276 C ASP A 21 13.851 4.477 -5.939 1.00 0.00 C ATOM 277 O ASP A 21 14.947 4.845 -6.359 1.00 0.00 O ATOM 278 CB ASP A 21 12.864 5.974 -4.194 1.00 0.00 C ATOM 279 CG ASP A 21 13.846 7.118 -4.043 1.00 0.00 C ATOM 280 OD1 ASP A 21 14.773 7.219 -4.875 1.00 0.00 O ATOM 281 OD2 ASP A 21 13.688 7.914 -3.094 1.00 0.00 O ATOM 0 H ASP A 21 10.911 4.683 -5.030 1.00 0.00 H new ATOM 0 HA ASP A 21 12.870 6.339 -6.312 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.883 6.292 -3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.177 5.145 -3.560 1.00 0.00 H new ATOM 286 N GLN A 22 13.550 3.201 -5.720 1.00 0.00 N ATOM 287 CA GLN A 22 14.516 2.136 -5.964 1.00 0.00 C ATOM 288 C GLN A 22 13.922 1.059 -6.866 1.00 0.00 C ATOM 289 O GLN A 22 13.318 0.091 -6.403 1.00 0.00 O ATOM 290 CB GLN A 22 14.970 1.517 -4.641 1.00 0.00 C ATOM 291 CG GLN A 22 15.627 2.512 -3.698 1.00 0.00 C ATOM 292 CD GLN A 22 16.644 1.862 -2.781 1.00 0.00 C ATOM 293 OE1 GLN A 22 17.675 1.361 -3.233 1.00 0.00 O ATOM 294 NE2 GLN A 22 16.360 1.866 -1.483 1.00 0.00 N ATOM 0 H GLN A 22 12.646 2.880 -5.374 1.00 0.00 H new ATOM 0 HA GLN A 22 15.379 2.571 -6.468 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.109 1.072 -4.143 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.671 0.709 -4.849 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.116 3.292 -4.282 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.859 2.998 -3.096 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.495 2.292 -1.152 1.00 0.00 H new ATOM 0 HE22 GLN A 22 17.007 1.443 -0.818 1.00 0.00 H new ATOM 303 N PRO A 23 14.096 1.229 -8.185 1.00 0.00 N ATOM 304 CA PRO A 23 13.585 0.281 -9.179 1.00 0.00 C ATOM 305 C PRO A 23 14.333 -1.048 -9.152 1.00 0.00 C ATOM 306 O PRO A 23 13.963 -1.995 -9.848 1.00 0.00 O ATOM 307 CB PRO A 23 13.821 1.000 -10.509 1.00 0.00 C ATOM 308 CG PRO A 23 14.953 1.931 -10.241 1.00 0.00 C ATOM 309 CD PRO A 23 14.806 2.359 -8.807 1.00 0.00 C ATOM 0 HA PRO A 23 12.542 0.023 -8.997 1.00 0.00 H new ATOM 0 HB2 PRO A 23 14.068 0.294 -11.302 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.931 1.541 -10.830 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.911 1.438 -10.405 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.918 2.791 -10.910 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.775 2.532 -8.338 1.00 0.00 H new ATOM 0 HD3 PRO A 23 14.240 3.286 -8.720 1.00 0.00 H new ATOM 317 N LEU A 24 15.386 -1.112 -8.345 1.00 0.00 N ATOM 318 CA LEU A 24 16.187 -2.325 -8.226 1.00 0.00 C ATOM 319 C LEU A 24 15.801 -3.112 -6.978 1.00 0.00 C ATOM 320 O LEU A 24 15.880 -4.340 -6.957 1.00 0.00 O ATOM 321 CB LEU A 24 17.675 -1.976 -8.183 1.00 0.00 C ATOM 322 CG LEU A 24 18.197 -1.119 -9.337 1.00 0.00 C ATOM 323 CD1 LEU A 24 19.454 -0.371 -8.921 1.00 0.00 C ATOM 324 CD2 LEU A 24 18.467 -1.980 -10.562 1.00 0.00 C ATOM 0 H LEU A 24 15.705 -0.338 -7.763 1.00 0.00 H new ATOM 0 HA LEU A 24 15.992 -2.946 -9.100 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.878 -1.454 -7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 24 18.245 -2.905 -8.160 1.00 0.00 H new ATOM 0 HG LEU A 24 17.432 -0.387 -9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.811 0.233 -9.755 1.00 0.00 H new ATOM 0 HD12 LEU A 24 19.228 0.277 -8.074 1.00 0.00 H new ATOM 0 HD13 LEU A 24 20.225 -1.086 -8.635 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.838 -1.353 -11.373 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.213 -2.736 -10.318 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.544 -2.468 -10.874 1.00 0.00 H new ATOM 336 N ALA A 25 15.383 -2.397 -5.939 1.00 0.00 N ATOM 337 CA ALA A 25 14.981 -3.028 -4.688 1.00 0.00 C ATOM 338 C ALA A 25 14.051 -4.209 -4.944 1.00 0.00 C ATOM 339 O ALA A 25 13.297 -4.238 -5.916 1.00 0.00 O ATOM 340 CB ALA A 25 14.309 -2.013 -3.776 1.00 0.00 C ATOM 0 H ALA A 25 15.314 -1.379 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 25 15.877 -3.404 -4.195 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.014 -2.499 -2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.005 -1.203 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.425 -1.609 -4.270 1.00 0.00 H new ATOM 346 N PRO A 26 14.105 -5.210 -4.051 1.00 0.00 N ATOM 347 CA PRO A 26 13.274 -6.412 -4.160 1.00 0.00 C ATOM 348 C PRO A 26 11.800 -6.124 -3.895 1.00 0.00 C ATOM 349 O PRO A 26 11.459 -5.353 -2.997 1.00 0.00 O ATOM 350 CB PRO A 26 13.841 -7.334 -3.077 1.00 0.00 C ATOM 351 CG PRO A 26 14.459 -6.414 -2.082 1.00 0.00 C ATOM 352 CD PRO A 26 14.981 -5.243 -2.868 1.00 0.00 C ATOM 0 HA PRO A 26 13.305 -6.839 -5.162 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.057 -7.940 -2.623 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.578 -8.023 -3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.727 -6.092 -1.341 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.264 -6.910 -1.540 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.921 -4.316 -2.297 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.026 -5.379 -3.145 1.00 0.00 H new ATOM 360 N LYS A 27 10.929 -6.748 -4.680 1.00 0.00 N ATOM 361 CA LYS A 27 9.491 -6.561 -4.530 1.00 0.00 C ATOM 362 C LYS A 27 9.003 -7.135 -3.204 1.00 0.00 C ATOM 363 O LYS A 27 9.582 -8.085 -2.677 1.00 0.00 O ATOM 364 CB LYS A 27 8.746 -7.225 -5.690 1.00 0.00 C ATOM 365 CG LYS A 27 7.261 -6.907 -5.721 1.00 0.00 C ATOM 366 CD LYS A 27 6.542 -7.703 -6.797 1.00 0.00 C ATOM 367 CE LYS A 27 6.013 -9.022 -6.253 1.00 0.00 C ATOM 368 NZ LYS A 27 7.001 -10.124 -6.414 1.00 0.00 N ATOM 0 H LYS A 27 11.194 -7.389 -5.428 1.00 0.00 H new ATOM 0 HA LYS A 27 9.286 -5.490 -4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.197 -6.907 -6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.876 -8.305 -5.624 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.821 -7.128 -4.749 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.120 -5.841 -5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.716 -7.115 -7.196 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.224 -7.897 -7.625 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.766 -8.907 -5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.090 -9.284 -6.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.504 -11.037 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.517 -10.000 -7.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.673 -10.106 -5.621 1.00 0.00 H new ATOM 382 N SER A 28 7.935 -6.552 -2.670 1.00 0.00 N ATOM 383 CA SER A 28 7.371 -7.004 -1.403 1.00 0.00 C ATOM 384 C SER A 28 5.868 -7.237 -1.530 1.00 0.00 C ATOM 385 O SER A 28 5.165 -6.473 -2.192 1.00 0.00 O ATOM 386 CB SER A 28 7.648 -5.979 -0.302 1.00 0.00 C ATOM 387 OG SER A 28 8.981 -6.082 0.167 1.00 0.00 O ATOM 0 H SER A 28 7.443 -5.766 -3.094 1.00 0.00 H new ATOM 0 HA SER A 28 7.847 -7.948 -1.138 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.470 -4.974 -0.684 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.955 -6.133 0.525 1.00 0.00 H new ATOM 0 HG SER A 28 9.133 -5.415 0.869 1.00 0.00 H new ATOM 393 N ILE A 29 5.384 -8.297 -0.891 1.00 0.00 N ATOM 394 CA ILE A 29 3.966 -8.630 -0.931 1.00 0.00 C ATOM 395 C ILE A 29 3.260 -8.186 0.346 1.00 0.00 C ATOM 396 O ILE A 29 3.747 -8.425 1.452 1.00 0.00 O ATOM 397 CB ILE A 29 3.748 -10.142 -1.125 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.286 -10.586 -2.487 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.272 -10.486 -0.995 1.00 0.00 C ATOM 400 CD1 ILE A 29 3.739 -9.781 -3.645 1.00 0.00 C ATOM 0 H ILE A 29 5.953 -8.939 -0.340 1.00 0.00 H new ATOM 0 HA ILE A 29 3.541 -8.098 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 29 4.295 -10.675 -0.347 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.373 -10.508 -2.482 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.043 -11.638 -2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.135 -11.558 -1.135 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.918 -10.201 -0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.704 -9.946 -1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.164 -10.151 -4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.654 -9.879 -3.676 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.005 -8.732 -3.516 1.00 0.00 H new ATOM 412 N LEU A 30 2.110 -7.541 0.186 1.00 0.00 N ATOM 413 CA LEU A 30 1.335 -7.064 1.326 1.00 0.00 C ATOM 414 C LEU A 30 0.029 -7.841 1.460 1.00 0.00 C ATOM 415 O LEU A 30 -0.762 -7.907 0.519 1.00 0.00 O ATOM 416 CB LEU A 30 1.041 -5.570 1.180 1.00 0.00 C ATOM 417 CG LEU A 30 0.569 -4.852 2.445 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.744 -4.564 3.366 1.00 0.00 C ATOM 419 CD2 LEU A 30 -0.159 -3.565 2.087 1.00 0.00 C ATOM 0 H LEU A 30 1.693 -7.336 -0.722 1.00 0.00 H new ATOM 0 HA LEU A 30 1.926 -7.224 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.944 -5.076 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.281 -5.443 0.409 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.127 -5.505 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.388 -4.053 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.222 -5.501 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.465 -3.931 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.488 -3.067 2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.514 -2.907 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.026 -3.797 1.468 1.00 0.00 H new ATOM 431 N GLN A 31 -0.190 -8.424 2.634 1.00 0.00 N ATOM 432 CA GLN A 31 -1.401 -9.194 2.889 1.00 0.00 C ATOM 433 C GLN A 31 -2.368 -8.411 3.772 1.00 0.00 C ATOM 434 O GLN A 31 -2.166 -8.296 4.982 1.00 0.00 O ATOM 435 CB GLN A 31 -1.052 -10.528 3.553 1.00 0.00 C ATOM 436 CG GLN A 31 -0.616 -11.601 2.568 1.00 0.00 C ATOM 437 CD GLN A 31 -1.781 -12.409 2.031 1.00 0.00 C ATOM 438 OE1 GLN A 31 -2.511 -11.836 1.082 1.00 0.00 O flip ATOM 439 NE2 GLN A 31 -2.022 -13.536 2.465 1.00 0.00 N flip ATOM 0 H GLN A 31 0.455 -8.378 3.423 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.886 -9.388 1.933 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.254 -10.366 4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.919 -10.886 4.108 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.090 -11.133 1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.091 -12.271 3.056 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.434 -13.938 3.195 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.809 -14.068 2.094 1.00 0.00 H new ATOM 448 N LEU A 32 -3.417 -7.874 3.160 1.00 0.00 N ATOM 449 CA LEU A 32 -4.416 -7.101 3.890 1.00 0.00 C ATOM 450 C LEU A 32 -5.309 -8.015 4.723 1.00 0.00 C ATOM 451 O LEU A 32 -5.528 -9.181 4.393 1.00 0.00 O ATOM 452 CB LEU A 32 -5.269 -6.285 2.917 1.00 0.00 C ATOM 453 CG LEU A 32 -6.290 -7.072 2.095 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.576 -7.264 2.884 1.00 0.00 C ATOM 455 CD2 LEU A 32 -6.571 -6.367 0.777 1.00 0.00 C ATOM 0 H LEU A 32 -3.598 -7.959 2.160 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.893 -6.422 4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.801 -5.521 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.602 -5.765 2.229 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.872 -8.055 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.291 -7.826 2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.362 -7.813 3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.998 -6.291 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.300 -6.941 0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.968 -5.371 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.647 -6.282 0.205 1.00 0.00 H new ATOM 467 N PRO A 33 -5.841 -7.474 5.830 1.00 0.00 N ATOM 468 CA PRO A 33 -6.721 -8.222 6.732 1.00 0.00 C ATOM 469 C PRO A 33 -8.080 -8.516 6.104 1.00 0.00 C ATOM 470 O PRO A 33 -8.819 -7.600 5.746 1.00 0.00 O ATOM 471 CB PRO A 33 -6.878 -7.286 7.932 1.00 0.00 C ATOM 472 CG PRO A 33 -6.638 -5.922 7.382 1.00 0.00 C ATOM 473 CD PRO A 33 -5.624 -6.091 6.285 1.00 0.00 C ATOM 0 HA PRO A 33 -6.308 -9.198 6.987 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.873 -7.367 8.370 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.163 -7.527 8.719 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.561 -5.488 6.997 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.268 -5.249 8.155 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.780 -5.374 5.479 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.608 -5.943 6.651 1.00 0.00 H new ATOM 598 N LEU A 42 -13.374 -6.777 -3.078 1.00 0.00 N ATOM 599 CA LEU A 42 -13.545 -5.968 -1.876 1.00 0.00 C ATOM 600 C LEU A 42 -14.438 -4.763 -2.153 1.00 0.00 C ATOM 601 O LEU A 42 -15.460 -4.571 -1.497 1.00 0.00 O ATOM 602 CB LEU A 42 -12.186 -5.502 -1.353 1.00 0.00 C ATOM 603 CG LEU A 42 -11.057 -6.532 -1.405 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.802 -5.983 -0.743 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.489 -7.830 -0.740 1.00 0.00 C ATOM 0 HA LEU A 42 -14.026 -6.586 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.879 -4.627 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.308 -5.179 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.829 -6.741 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.010 -6.730 -0.790 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.481 -5.081 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.015 -5.745 0.299 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.673 -8.552 -0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.745 -7.637 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.359 -8.232 -1.259 1.00 0.00 H new ATOM 617 N GLY A 43 -14.043 -3.954 -3.132 1.00 0.00 N ATOM 618 CA GLY A 43 -14.820 -2.778 -3.480 1.00 0.00 C ATOM 619 C GLY A 43 -15.334 -2.040 -2.260 1.00 0.00 C ATOM 620 O GLY A 43 -16.510 -2.143 -1.914 1.00 0.00 O ATOM 0 H GLY A 43 -13.200 -4.092 -3.690 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.205 -2.104 -4.076 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.664 -3.075 -4.103 1.00 0.00 H new ATOM 624 N GLY A 44 -14.450 -1.295 -1.604 1.00 0.00 N ATOM 625 CA GLY A 44 -14.839 -0.550 -0.421 1.00 0.00 C ATOM 626 C GLY A 44 -13.647 -0.015 0.346 1.00 0.00 C ATOM 627 O GLY A 44 -13.669 1.116 0.833 1.00 0.00 O ATOM 0 H GLY A 44 -13.471 -1.194 -1.871 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.481 0.281 -0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.428 -1.194 0.232 1.00 0.00 H new ATOM 631 N TYR A 45 -12.603 -0.829 0.456 1.00 0.00 N ATOM 632 CA TYR A 45 -11.397 -0.432 1.174 1.00 0.00 C ATOM 633 C TYR A 45 -10.929 0.951 0.731 1.00 0.00 C ATOM 634 O TYR A 45 -10.958 1.277 -0.456 1.00 0.00 O ATOM 635 CB TYR A 45 -10.284 -1.456 0.947 1.00 0.00 C ATOM 636 CG TYR A 45 -10.270 -2.572 1.968 1.00 0.00 C ATOM 637 CD1 TYR A 45 -11.107 -3.673 1.834 1.00 0.00 C ATOM 638 CD2 TYR A 45 -9.419 -2.525 3.065 1.00 0.00 C ATOM 639 CE1 TYR A 45 -11.098 -4.693 2.765 1.00 0.00 C ATOM 640 CE2 TYR A 45 -9.402 -3.542 4.000 1.00 0.00 C ATOM 641 CZ TYR A 45 -10.244 -4.624 3.846 1.00 0.00 C ATOM 642 OH TYR A 45 -10.231 -5.639 4.774 1.00 0.00 O ATOM 0 H TYR A 45 -12.567 -1.767 0.057 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.634 -0.392 2.237 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.396 -1.887 -0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.322 -0.945 0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.776 -3.732 0.988 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.759 -1.679 3.189 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.757 -5.541 2.647 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.733 -3.490 4.847 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.338 -6.042 4.806 1.00 0.00 H new ATOM 652 N SER A 46 -10.498 1.759 1.694 1.00 0.00 N ATOM 653 CA SER A 46 -10.026 3.108 1.405 1.00 0.00 C ATOM 654 C SER A 46 -8.521 3.116 1.157 1.00 0.00 C ATOM 655 O SER A 46 -7.745 2.607 1.966 1.00 0.00 O ATOM 656 CB SER A 46 -10.368 4.049 2.562 1.00 0.00 C ATOM 657 OG SER A 46 -11.669 4.590 2.412 1.00 0.00 O ATOM 0 H SER A 46 -10.466 1.503 2.681 1.00 0.00 H new ATOM 0 HA SER A 46 -10.527 3.456 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.302 3.508 3.506 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.638 4.857 2.606 1.00 0.00 H new ATOM 0 HG SER A 46 -11.864 5.186 3.165 1.00 0.00 H new ATOM 663 N ILE A 47 -8.117 3.697 0.032 1.00 0.00 N ATOM 664 CA ILE A 47 -6.705 3.772 -0.323 1.00 0.00 C ATOM 665 C ILE A 47 -5.851 4.129 0.889 1.00 0.00 C ATOM 666 O ILE A 47 -4.787 3.549 1.103 1.00 0.00 O ATOM 667 CB ILE A 47 -6.459 4.810 -1.434 1.00 0.00 C ATOM 668 CG1 ILE A 47 -7.272 4.458 -2.681 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.976 4.889 -1.766 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.789 3.208 -3.384 1.00 0.00 C ATOM 0 H ILE A 47 -8.747 4.122 -0.648 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.418 2.786 -0.688 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.784 5.787 -1.076 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.316 4.326 -2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.234 5.295 -3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.818 5.627 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.419 5.183 -0.876 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.627 3.914 -2.107 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.411 3.019 -4.259 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.754 3.344 -3.697 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.853 2.360 -2.703 1.00 0.00 H new ATOM 682 N SER A 48 -6.327 5.085 1.680 1.00 0.00 N ATOM 683 CA SER A 48 -5.606 5.521 2.870 1.00 0.00 C ATOM 684 C SER A 48 -5.048 4.325 3.635 1.00 0.00 C ATOM 685 O SER A 48 -3.856 4.269 3.939 1.00 0.00 O ATOM 686 CB SER A 48 -6.527 6.338 3.779 1.00 0.00 C ATOM 687 OG SER A 48 -5.788 7.270 4.549 1.00 0.00 O ATOM 0 H SER A 48 -7.208 5.572 1.518 1.00 0.00 H new ATOM 0 HA SER A 48 -4.773 6.147 2.551 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.265 6.865 3.175 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.076 5.669 4.441 1.00 0.00 H new ATOM 0 HG SER A 48 -6.399 7.780 5.120 1.00 0.00 H new ATOM 693 N PHE A 49 -5.918 3.369 3.944 1.00 0.00 N ATOM 694 CA PHE A 49 -5.513 2.174 4.675 1.00 0.00 C ATOM 695 C PHE A 49 -4.235 1.584 4.087 1.00 0.00 C ATOM 696 O PHE A 49 -3.198 1.537 4.750 1.00 0.00 O ATOM 697 CB PHE A 49 -6.631 1.129 4.644 1.00 0.00 C ATOM 698 CG PHE A 49 -6.373 -0.050 5.537 1.00 0.00 C ATOM 699 CD1 PHE A 49 -5.921 0.131 6.834 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.583 -1.341 5.080 1.00 0.00 C ATOM 701 CE1 PHE A 49 -5.683 -0.953 7.658 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.346 -2.429 5.898 1.00 0.00 C ATOM 703 CZ PHE A 49 -5.896 -2.235 7.190 1.00 0.00 C ATOM 0 H PHE A 49 -6.908 3.399 3.700 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.319 2.459 5.709 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.567 1.601 4.941 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.761 0.778 3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.753 1.131 7.206 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.936 -1.499 4.072 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.331 -0.798 8.667 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.512 -3.430 5.528 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.711 -3.083 7.832 1.00 0.00 H new ATOM 713 N LEU A 50 -4.316 1.135 2.840 1.00 0.00 N ATOM 714 CA LEU A 50 -3.166 0.547 2.162 1.00 0.00 C ATOM 715 C LEU A 50 -1.924 1.413 2.347 1.00 0.00 C ATOM 716 O LEU A 50 -0.884 0.936 2.802 1.00 0.00 O ATOM 717 CB LEU A 50 -3.463 0.373 0.671 1.00 0.00 C ATOM 718 CG LEU A 50 -4.170 -0.924 0.275 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.674 -0.840 -1.158 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.238 -2.114 0.446 1.00 0.00 C ATOM 0 H LEU A 50 -5.166 1.167 2.277 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.974 -0.430 2.605 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.076 1.212 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.522 0.432 0.124 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.028 -1.064 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.174 -1.771 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.377 -0.012 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.832 -0.676 -1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.758 -3.028 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.360 -1.983 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.927 -2.185 1.488 1.00 0.00 H new ATOM 732 N LYS A 51 -2.040 2.688 1.993 1.00 0.00 N ATOM 733 CA LYS A 51 -0.928 3.623 2.122 1.00 0.00 C ATOM 734 C LYS A 51 -0.232 3.456 3.469 1.00 0.00 C ATOM 735 O LYS A 51 0.941 3.798 3.617 1.00 0.00 O ATOM 736 CB LYS A 51 -1.424 5.062 1.968 1.00 0.00 C ATOM 737 CG LYS A 51 -2.067 5.342 0.620 1.00 0.00 C ATOM 738 CD LYS A 51 -2.479 6.799 0.491 1.00 0.00 C ATOM 739 CE LYS A 51 -1.361 7.644 -0.101 1.00 0.00 C ATOM 740 NZ LYS A 51 -0.471 8.204 0.953 1.00 0.00 N ATOM 0 H LYS A 51 -2.894 3.098 1.614 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.210 3.406 1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.145 5.275 2.757 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.586 5.744 2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.368 5.089 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.941 4.703 0.493 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.365 6.873 -0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.751 7.189 1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.772 7.037 -0.789 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.791 8.459 -0.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.513 9.243 0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.784 7.868 1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.507 7.893 0.783 1.00 0.00 H new ATOM 754 N GLN A 52 -0.961 2.928 4.446 1.00 0.00 N ATOM 755 CA GLN A 52 -0.412 2.716 5.780 1.00 0.00 C ATOM 756 C GLN A 52 0.239 1.340 5.888 1.00 0.00 C ATOM 757 O GLN A 52 1.345 1.205 6.412 1.00 0.00 O ATOM 758 CB GLN A 52 -1.510 2.858 6.836 1.00 0.00 C ATOM 759 CG GLN A 52 -2.284 4.162 6.736 1.00 0.00 C ATOM 760 CD GLN A 52 -2.816 4.629 8.077 1.00 0.00 C ATOM 761 OE1 GLN A 52 -2.869 3.861 9.038 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.214 5.894 8.148 1.00 0.00 N ATOM 0 H GLN A 52 -1.933 2.639 4.339 1.00 0.00 H new ATOM 0 HA GLN A 52 0.351 3.474 5.956 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.205 2.024 6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.061 2.786 7.827 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.637 4.933 6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.116 4.034 6.044 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.152 6.495 7.326 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.582 6.265 9.024 1.00 0.00 H new ATOM 771 N LEU A 53 -0.455 0.323 5.391 1.00 0.00 N ATOM 772 CA LEU A 53 0.055 -1.044 5.431 1.00 0.00 C ATOM 773 C LEU A 53 1.403 -1.143 4.725 1.00 0.00 C ATOM 774 O LEU A 53 2.361 -1.692 5.269 1.00 0.00 O ATOM 775 CB LEU A 53 -0.945 -2.002 4.783 1.00 0.00 C ATOM 776 CG LEU A 53 -2.182 -2.345 5.614 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.305 -1.358 5.333 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.637 -3.769 5.331 1.00 0.00 C ATOM 0 H LEU A 53 -1.372 0.418 4.955 1.00 0.00 H new ATOM 0 HA LEU A 53 0.192 -1.324 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.275 -1.567 3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.425 -2.929 4.542 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.918 -2.272 6.669 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.177 -1.618 5.933 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.976 -0.351 5.588 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.568 -1.397 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.518 -3.995 5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.882 -3.869 4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.837 -4.464 5.585 1.00 0.00 H new ATOM 790 N ILE A 54 1.470 -0.606 3.511 1.00 0.00 N ATOM 791 CA ILE A 54 2.702 -0.632 2.732 1.00 0.00 C ATOM 792 C ILE A 54 3.827 0.098 3.458 1.00 0.00 C ATOM 793 O ILE A 54 4.903 -0.458 3.675 1.00 0.00 O ATOM 794 CB ILE A 54 2.503 0.005 1.344 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.679 -0.920 0.447 1.00 0.00 C ATOM 796 CG2 ILE A 54 3.849 0.311 0.704 1.00 0.00 C ATOM 797 CD1 ILE A 54 0.187 -0.686 0.546 1.00 0.00 C ATOM 0 H ILE A 54 0.686 -0.148 3.046 1.00 0.00 H new ATOM 0 HA ILE A 54 2.974 -1.680 2.606 1.00 0.00 H new ATOM 0 HB ILE A 54 1.959 0.941 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.992 -0.783 -0.588 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.895 -1.955 0.711 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.692 0.761 -0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.403 1.004 1.337 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.417 -0.612 0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.334 -1.377 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.140 -0.852 1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.041 0.339 0.254 1.00 0.00 H new ATOM 809 N ALA A 55 3.569 1.347 3.833 1.00 0.00 N ATOM 810 CA ALA A 55 4.558 2.153 4.538 1.00 0.00 C ATOM 811 C ALA A 55 4.980 1.486 5.843 1.00 0.00 C ATOM 812 O ALA A 55 6.070 1.735 6.355 1.00 0.00 O ATOM 813 CB ALA A 55 4.009 3.546 4.808 1.00 0.00 C ATOM 0 H ALA A 55 2.683 1.822 3.660 1.00 0.00 H new ATOM 0 HA ALA A 55 5.440 2.239 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.758 4.137 5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.764 4.030 3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.110 3.471 5.420 1.00 0.00 H new ATOM 819 N GLY A 56 4.107 0.637 6.377 1.00 0.00 N ATOM 820 CA GLY A 56 4.407 -0.052 7.619 1.00 0.00 C ATOM 821 C GLY A 56 5.280 -1.273 7.409 1.00 0.00 C ATOM 822 O GLY A 56 5.898 -1.773 8.348 1.00 0.00 O ATOM 0 H GLY A 56 3.198 0.414 5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.908 0.636 8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.475 -0.353 8.098 1.00 0.00 H new ATOM 826 N LYS A 57 5.331 -1.755 6.172 1.00 0.00 N ATOM 827 CA LYS A 57 6.135 -2.926 5.839 1.00 0.00 C ATOM 828 C LYS A 57 7.476 -2.513 5.243 1.00 0.00 C ATOM 829 O LYS A 57 8.486 -3.195 5.427 1.00 0.00 O ATOM 830 CB LYS A 57 5.382 -3.824 4.855 1.00 0.00 C ATOM 831 CG LYS A 57 4.409 -4.779 5.526 1.00 0.00 C ATOM 832 CD LYS A 57 5.115 -6.015 6.054 1.00 0.00 C ATOM 833 CE LYS A 57 4.178 -7.212 6.110 1.00 0.00 C ATOM 834 NZ LYS A 57 4.885 -8.451 6.537 1.00 0.00 N ATOM 0 H LYS A 57 4.825 -1.353 5.383 1.00 0.00 H new ATOM 0 HA LYS A 57 6.322 -3.481 6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.836 -3.198 4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.104 -4.401 4.277 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.905 -4.269 6.347 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.639 -5.075 4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.967 -6.249 5.416 1.00 0.00 H new ATOM 0 HD3 LYS A 57 5.508 -5.813 7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.362 -7.003 6.802 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.731 -7.369 5.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 4.212 -9.243 6.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.647 -8.666 5.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.290 -8.310 7.484 1.00 0.00 H new ATOM 848 N LEU A 58 7.481 -1.393 4.528 1.00 0.00 N ATOM 849 CA LEU A 58 8.700 -0.888 3.906 1.00 0.00 C ATOM 850 C LEU A 58 9.362 0.170 4.782 1.00 0.00 C ATOM 851 O LEU A 58 10.129 1.001 4.297 1.00 0.00 O ATOM 852 CB LEU A 58 8.387 -0.302 2.528 1.00 0.00 C ATOM 853 CG LEU A 58 7.479 -1.144 1.631 1.00 0.00 C ATOM 854 CD1 LEU A 58 7.386 -0.533 0.241 1.00 0.00 C ATOM 855 CD2 LEU A 58 7.986 -2.577 1.553 1.00 0.00 C ATOM 0 H LEU A 58 6.655 -0.818 4.365 1.00 0.00 H new ATOM 0 HA LEU A 58 9.392 -1.722 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.922 0.674 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.328 -0.135 2.004 1.00 0.00 H new ATOM 0 HG LEU A 58 6.480 -1.156 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.736 -1.146 -0.383 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.976 0.474 0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.380 -0.489 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.327 -3.161 0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.995 -2.584 1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.999 -3.013 2.552 1.00 0.00 H new ATOM 867 N GLN A 59 9.060 0.132 6.076 1.00 0.00 N ATOM 868 CA GLN A 59 9.628 1.087 7.021 1.00 0.00 C ATOM 869 C GLN A 59 11.129 1.243 6.802 1.00 0.00 C ATOM 870 O GLN A 59 11.723 2.242 7.206 1.00 0.00 O ATOM 871 CB GLN A 59 9.353 0.639 8.458 1.00 0.00 C ATOM 872 CG GLN A 59 7.934 0.922 8.923 1.00 0.00 C ATOM 873 CD GLN A 59 7.828 1.052 10.429 1.00 0.00 C ATOM 874 OE1 GLN A 59 8.567 0.408 11.173 1.00 0.00 O ATOM 875 NE2 GLN A 59 6.905 1.890 10.888 1.00 0.00 N ATOM 0 H GLN A 59 8.426 -0.549 6.494 1.00 0.00 H new ATOM 0 HA GLN A 59 9.153 2.054 6.852 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.547 -0.431 8.539 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.052 1.141 9.126 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.580 1.842 8.457 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.278 0.120 8.584 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.313 2.404 10.235 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.788 2.019 11.893 1.00 0.00 H new ATOM 884 N GLU A 60 11.735 0.249 6.161 1.00 0.00 N ATOM 885 CA GLU A 60 13.168 0.276 5.890 1.00 0.00 C ATOM 886 C GLU A 60 13.551 1.536 5.119 1.00 0.00 C ATOM 887 O GLU A 60 14.584 2.150 5.386 1.00 0.00 O ATOM 888 CB GLU A 60 13.584 -0.966 5.099 1.00 0.00 C ATOM 889 CG GLU A 60 12.847 -1.123 3.780 1.00 0.00 C ATOM 890 CD GLU A 60 13.486 -2.157 2.874 1.00 0.00 C ATOM 891 OE1 GLU A 60 14.643 -1.946 2.455 1.00 0.00 O ATOM 892 OE2 GLU A 60 12.828 -3.178 2.584 1.00 0.00 O ATOM 0 H GLU A 60 11.257 -0.585 5.820 1.00 0.00 H new ATOM 0 HA GLU A 60 13.693 0.281 6.845 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.655 -0.920 4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.409 -1.851 5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.813 -1.407 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.821 -0.162 3.266 1.00 0.00 H new ATOM 899 N SER A 61 12.712 1.915 4.161 1.00 0.00 N ATOM 900 CA SER A 61 12.964 3.098 3.347 1.00 0.00 C ATOM 901 C SER A 61 11.930 4.184 3.631 1.00 0.00 C ATOM 902 O SER A 61 12.259 5.368 3.696 1.00 0.00 O ATOM 903 CB SER A 61 12.944 2.735 1.861 1.00 0.00 C ATOM 904 OG SER A 61 14.218 2.292 1.427 1.00 0.00 O ATOM 0 H SER A 61 11.851 1.420 3.929 1.00 0.00 H new ATOM 0 HA SER A 61 13.950 3.483 3.606 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.204 1.954 1.684 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.638 3.602 1.276 1.00 0.00 H new ATOM 0 HG SER A 61 14.178 2.065 0.475 1.00 0.00 H new ATOM 910 N VAL A 62 10.679 3.770 3.801 1.00 0.00 N ATOM 911 CA VAL A 62 9.595 4.705 4.079 1.00 0.00 C ATOM 912 C VAL A 62 9.556 5.076 5.557 1.00 0.00 C ATOM 913 O VAL A 62 9.252 4.253 6.422 1.00 0.00 O ATOM 914 CB VAL A 62 8.230 4.120 3.672 1.00 0.00 C ATOM 915 CG1 VAL A 62 7.111 5.096 4.001 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.222 3.768 2.192 1.00 0.00 C ATOM 0 H VAL A 62 10.391 2.793 3.751 1.00 0.00 H new ATOM 0 HA VAL A 62 9.789 5.599 3.487 1.00 0.00 H new ATOM 0 HB VAL A 62 8.062 3.206 4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.154 4.665 3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.105 5.295 5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.271 6.029 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.250 3.356 1.921 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.412 4.666 1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.998 3.030 1.989 1.00 0.00 H new ATOM 926 N PRO A 63 9.870 6.345 5.858 1.00 0.00 N ATOM 927 CA PRO A 63 9.877 6.855 7.232 1.00 0.00 C ATOM 928 C PRO A 63 8.473 6.961 7.818 1.00 0.00 C ATOM 929 O PRO A 63 8.211 6.472 8.917 1.00 0.00 O ATOM 930 CB PRO A 63 10.504 8.244 7.091 1.00 0.00 C ATOM 931 CG PRO A 63 10.220 8.648 5.686 1.00 0.00 C ATOM 932 CD PRO A 63 10.242 7.380 4.878 1.00 0.00 C ATOM 0 HA PRO A 63 10.418 6.195 7.909 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.070 8.948 7.801 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.576 8.216 7.286 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.251 9.142 5.610 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.967 9.354 5.324 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.536 7.420 4.048 1.00 0.00 H new ATOM 0 HD3 PRO A 63 11.227 7.193 4.450 1.00 0.00 H new ATOM 940 N ASP A 64 7.575 7.601 7.078 1.00 0.00 N ATOM 941 CA ASP A 64 6.197 7.769 7.524 1.00 0.00 C ATOM 942 C ASP A 64 5.221 7.524 6.377 1.00 0.00 C ATOM 943 O ASP A 64 5.481 7.869 5.224 1.00 0.00 O ATOM 944 CB ASP A 64 5.991 9.173 8.095 1.00 0.00 C ATOM 945 CG ASP A 64 6.463 9.289 9.531 1.00 0.00 C ATOM 946 OD1 ASP A 64 7.638 8.963 9.798 1.00 0.00 O ATOM 947 OD2 ASP A 64 5.656 9.706 10.388 1.00 0.00 O ATOM 0 H ASP A 64 7.776 8.012 6.166 1.00 0.00 H new ATOM 0 HA ASP A 64 6.002 7.035 8.306 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.528 9.895 7.480 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.934 9.432 8.041 1.00 0.00 H new ATOM 952 N PRO A 65 4.070 6.915 6.699 1.00 0.00 N ATOM 953 CA PRO A 65 3.032 6.610 5.709 1.00 0.00 C ATOM 954 C PRO A 65 2.337 7.865 5.193 1.00 0.00 C ATOM 955 O PRO A 65 1.598 7.816 4.210 1.00 0.00 O ATOM 956 CB PRO A 65 2.047 5.734 6.487 1.00 0.00 C ATOM 957 CG PRO A 65 2.239 6.122 7.913 1.00 0.00 C ATOM 958 CD PRO A 65 3.694 6.477 8.053 1.00 0.00 C ATOM 0 HA PRO A 65 3.443 6.128 4.822 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.021 5.909 6.164 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.253 4.675 6.334 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.604 6.968 8.176 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.971 5.302 8.580 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.846 7.268 8.788 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.287 5.622 8.378 1.00 0.00 H new ATOM 966 N GLU A 66 2.579 8.988 5.863 1.00 0.00 N ATOM 967 CA GLU A 66 1.974 10.256 5.471 1.00 0.00 C ATOM 968 C GLU A 66 2.915 11.052 4.571 1.00 0.00 C ATOM 969 O GLU A 66 2.473 11.816 3.712 1.00 0.00 O ATOM 970 CB GLU A 66 1.616 11.080 6.709 1.00 0.00 C ATOM 971 CG GLU A 66 1.109 10.243 7.871 1.00 0.00 C ATOM 972 CD GLU A 66 0.188 11.020 8.792 1.00 0.00 C ATOM 973 OE1 GLU A 66 -0.567 11.878 8.289 1.00 0.00 O ATOM 974 OE2 GLU A 66 0.224 10.771 10.015 1.00 0.00 O ATOM 0 H GLU A 66 3.189 9.045 6.679 1.00 0.00 H new ATOM 0 HA GLU A 66 1.063 10.038 4.913 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.495 11.638 7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.855 11.812 6.440 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.579 9.373 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.959 9.870 8.443 1.00 0.00 H new ATOM 981 N LEU A 67 4.215 10.868 4.776 1.00 0.00 N ATOM 982 CA LEU A 67 5.220 11.570 3.984 1.00 0.00 C ATOM 983 C LEU A 67 5.502 10.828 2.681 1.00 0.00 C ATOM 984 O LEU A 67 6.546 11.023 2.058 1.00 0.00 O ATOM 985 CB LEU A 67 6.514 11.723 4.787 1.00 0.00 C ATOM 986 CG LEU A 67 6.358 12.228 6.221 1.00 0.00 C ATOM 987 CD1 LEU A 67 7.693 12.194 6.948 1.00 0.00 C ATOM 988 CD2 LEU A 67 5.780 13.636 6.231 1.00 0.00 C ATOM 0 H LEU A 67 4.598 10.240 5.483 1.00 0.00 H new ATOM 0 HA LEU A 67 4.831 12.559 3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.016 10.756 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.172 12.408 4.251 1.00 0.00 H new ATOM 0 HG LEU A 67 5.666 11.568 6.744 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.562 12.557 7.967 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.068 11.171 6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.408 12.830 6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.676 13.979 7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.447 14.307 5.690 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.802 13.631 5.749 1.00 0.00 H new ATOM 1000 N ILE A 68 4.563 9.981 2.274 1.00 0.00 N ATOM 1001 CA ILE A 68 4.709 9.214 1.043 1.00 0.00 C ATOM 1002 C ILE A 68 3.386 9.127 0.289 1.00 0.00 C ATOM 1003 O ILE A 68 2.321 9.381 0.853 1.00 0.00 O ATOM 1004 CB ILE A 68 5.220 7.789 1.326 1.00 0.00 C ATOM 1005 CG1 ILE A 68 4.229 7.035 2.214 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.593 7.838 1.978 1.00 0.00 C ATOM 1007 CD1 ILE A 68 3.159 6.298 1.438 1.00 0.00 C ATOM 0 H ILE A 68 3.693 9.808 2.778 1.00 0.00 H new ATOM 0 HA ILE A 68 5.441 9.739 0.429 1.00 0.00 H new ATOM 0 HB ILE A 68 5.308 7.256 0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.776 6.321 2.830 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.752 7.742 2.893 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.940 6.823 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.294 8.341 1.312 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.530 8.385 2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.493 5.787 2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.586 7.009 0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.626 5.567 0.779 1.00 0.00 H new ATOM 1019 N ASP A 69 3.461 8.767 -0.987 1.00 0.00 N ATOM 1020 CA ASP A 69 2.270 8.644 -1.818 1.00 0.00 C ATOM 1021 C ASP A 69 2.243 7.297 -2.534 1.00 0.00 C ATOM 1022 O ASP A 69 3.285 6.676 -2.751 1.00 0.00 O ATOM 1023 CB ASP A 69 2.216 9.780 -2.841 1.00 0.00 C ATOM 1024 CG ASP A 69 1.584 11.037 -2.276 1.00 0.00 C ATOM 1025 OD1 ASP A 69 0.582 10.919 -1.541 1.00 0.00 O ATOM 1026 OD2 ASP A 69 2.092 12.140 -2.569 1.00 0.00 O ATOM 0 H ASP A 69 4.335 8.555 -1.469 1.00 0.00 H new ATOM 0 HA ASP A 69 1.397 8.708 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.226 10.006 -3.182 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.651 9.453 -3.714 1.00 0.00 H new ATOM 1031 N LEU A 70 1.047 6.850 -2.899 1.00 0.00 N ATOM 1032 CA LEU A 70 0.884 5.575 -3.590 1.00 0.00 C ATOM 1033 C LEU A 70 0.530 5.793 -5.057 1.00 0.00 C ATOM 1034 O LEU A 70 -0.322 6.620 -5.384 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.201 4.739 -2.910 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.146 3.232 -3.165 1.00 0.00 C ATOM 1037 CD1 LEU A 70 1.100 2.630 -2.534 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.399 2.554 -2.628 1.00 0.00 C ATOM 0 H LEU A 70 0.175 7.351 -2.728 1.00 0.00 H new ATOM 0 HA LEU A 70 1.831 5.038 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.141 4.908 -1.835 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.173 5.107 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.100 3.066 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.123 1.557 -2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.987 3.094 -2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.085 2.806 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.343 1.482 -2.818 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.476 2.729 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.277 2.965 -3.126 1.00 0.00 H new ATOM 1050 N ILE A 71 1.188 5.045 -5.936 1.00 0.00 N ATOM 1051 CA ILE A 71 0.939 5.154 -7.368 1.00 0.00 C ATOM 1052 C ILE A 71 0.439 3.832 -7.942 1.00 0.00 C ATOM 1053 O ILE A 71 0.987 2.769 -7.648 1.00 0.00 O ATOM 1054 CB ILE A 71 2.208 5.583 -8.129 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.820 6.828 -7.483 1.00 0.00 C ATOM 1056 CG2 ILE A 71 1.886 5.843 -9.593 1.00 0.00 C ATOM 1057 CD1 ILE A 71 1.880 8.013 -7.445 1.00 0.00 C ATOM 0 H ILE A 71 1.897 4.357 -5.682 1.00 0.00 H new ATOM 0 HA ILE A 71 0.171 5.917 -7.497 1.00 0.00 H new ATOM 0 HB ILE A 71 2.936 4.774 -8.076 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.128 6.586 -6.466 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.720 7.106 -8.031 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.793 6.145 -10.117 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.491 4.933 -10.046 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.143 6.637 -9.667 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.380 8.859 -6.974 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.592 8.282 -8.461 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.990 7.753 -6.872 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.602 3.907 -8.763 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.177 2.716 -9.378 1.00 0.00 C ATOM 1071 C TYR A 72 -1.544 2.979 -10.835 1.00 0.00 C ATOM 1072 O TYR A 72 -2.123 4.015 -11.164 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.415 2.263 -8.602 1.00 0.00 C ATOM 1074 CG TYR A 72 -3.217 1.196 -9.312 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -2.780 -0.123 -9.344 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -4.411 1.506 -9.951 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -3.509 -1.102 -9.992 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -5.147 0.533 -10.600 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.692 -0.769 -10.618 1.00 0.00 C ATOM 1080 OH TYR A 72 -5.422 -1.740 -11.264 1.00 0.00 O ATOM 0 H TYR A 72 -1.065 4.779 -9.018 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.428 1.925 -9.348 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.105 1.885 -7.628 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.055 3.126 -8.420 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.855 -0.387 -8.854 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.770 2.525 -9.940 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.154 -2.122 -10.008 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.074 0.791 -11.091 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.996 -2.613 -11.130 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.204 2.034 -11.704 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.497 2.162 -13.127 1.00 0.00 C ATOM 1092 C CYS A 73 -0.891 3.441 -13.694 1.00 0.00 C ATOM 1093 O CYS A 73 -1.392 3.997 -14.671 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.008 2.151 -13.361 1.00 0.00 C ATOM 1095 SG CYS A 73 -3.722 0.496 -13.500 1.00 0.00 S ATOM 0 H CYS A 73 -0.725 1.171 -11.448 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.051 1.311 -13.642 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.496 2.678 -12.541 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.228 2.707 -14.272 1.00 0.00 H new ATOM 0 HG CYS A 73 -4.441 0.244 -12.446 1.00 0.00 H new ATOM 1101 N GLY A 74 0.189 3.905 -13.073 1.00 0.00 N ATOM 1102 CA GLY A 74 0.844 5.117 -13.528 1.00 0.00 C ATOM 1103 C GLY A 74 0.102 6.370 -13.109 1.00 0.00 C ATOM 1104 O GLY A 74 0.289 7.436 -13.695 1.00 0.00 O ATOM 0 H GLY A 74 0.622 3.463 -12.262 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.858 5.149 -13.130 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.928 5.095 -14.615 1.00 0.00 H new ATOM 1108 N ARG A 75 -0.745 6.242 -12.092 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.520 7.373 -11.597 1.00 0.00 C ATOM 1110 C ARG A 75 -1.701 7.287 -10.084 1.00 0.00 C ATOM 1111 O ARG A 75 -2.157 6.271 -9.559 1.00 0.00 O ATOM 1112 CB ARG A 75 -2.887 7.421 -12.283 1.00 0.00 C ATOM 1113 CG ARG A 75 -3.723 6.170 -12.063 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.123 6.328 -12.635 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.744 5.039 -12.924 1.00 0.00 N ATOM 1116 CZ ARG A 75 -6.999 4.905 -13.339 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -7.762 5.975 -13.512 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -7.494 3.697 -13.581 1.00 0.00 N ATOM 0 H ARG A 75 -0.911 5.367 -11.595 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.972 8.286 -11.829 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.439 8.286 -11.915 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.742 7.567 -13.353 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.232 5.316 -12.530 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.787 5.957 -10.996 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.743 6.879 -11.928 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.077 6.921 -13.548 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.184 4.195 -12.801 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.386 6.905 -13.326 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.725 5.869 -13.831 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.911 2.871 -13.448 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.458 3.595 -13.900 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.340 8.360 -9.389 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.462 8.408 -7.937 1.00 0.00 C ATOM 1134 C LYS A 76 -2.898 8.133 -7.502 1.00 0.00 C ATOM 1135 O LYS A 76 -3.843 8.386 -8.250 1.00 0.00 O ATOM 1136 CB LYS A 76 -1.012 9.773 -7.411 1.00 0.00 C ATOM 1137 CG LYS A 76 -0.653 9.768 -5.935 1.00 0.00 C ATOM 1138 CD LYS A 76 -0.916 11.120 -5.293 1.00 0.00 C ATOM 1139 CE LYS A 76 0.180 12.120 -5.630 1.00 0.00 C ATOM 1140 NZ LYS A 76 0.235 13.236 -4.646 1.00 0.00 N ATOM 0 H LYS A 76 -0.960 9.209 -9.808 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.819 7.634 -7.518 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.148 10.107 -7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.808 10.499 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.233 9.001 -5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.398 9.506 -5.816 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.878 11.504 -5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.984 11.003 -4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.143 11.609 -5.654 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.009 12.524 -6.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.577 14.098 -5.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.716 13.406 -4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.882 12.985 -3.872 1.00 0.00 H new ATOM 1154 N LEU A 77 -3.056 7.615 -6.289 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.377 7.307 -5.754 1.00 0.00 C ATOM 1156 C LEU A 77 -4.661 8.126 -4.498 1.00 0.00 C ATOM 1157 O LEU A 77 -3.862 8.143 -3.562 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.487 5.815 -5.439 1.00 0.00 C ATOM 1159 CG LEU A 77 -3.886 4.864 -6.475 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -3.777 3.457 -5.909 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.721 4.866 -7.748 1.00 0.00 C ATOM 0 H LEU A 77 -2.285 7.399 -5.657 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.117 7.567 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.002 5.630 -4.481 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.541 5.567 -5.316 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.883 5.213 -6.721 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.347 2.795 -6.661 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.137 3.468 -5.027 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.769 3.098 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.279 4.184 -8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.736 4.543 -7.518 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.747 5.873 -8.165 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.805 8.802 -4.485 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.197 9.620 -3.344 1.00 0.00 C ATOM 1175 C LYS A 78 -6.780 8.756 -2.230 1.00 0.00 C ATOM 1176 O LYS A 78 -7.263 7.651 -2.477 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.218 10.675 -3.773 1.00 0.00 C ATOM 1178 CG LYS A 78 -6.589 11.930 -4.353 1.00 0.00 C ATOM 1179 CD LYS A 78 -7.613 13.041 -4.521 1.00 0.00 C ATOM 1180 CE LYS A 78 -8.402 12.880 -5.812 1.00 0.00 C ATOM 1181 NZ LYS A 78 -7.693 13.481 -6.975 1.00 0.00 N ATOM 0 H LYS A 78 -6.477 8.799 -5.252 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.306 10.120 -2.964 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.889 10.239 -4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.828 10.949 -2.912 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.785 12.270 -3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.139 11.700 -5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.297 13.038 -3.672 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.107 14.007 -4.520 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.576 11.821 -6.001 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.380 13.349 -5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.263 13.350 -7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.549 14.497 -6.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.771 13.016 -7.097 1.00 0.00 H new ATOM 1195 N ASP A 79 -6.734 9.268 -1.005 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.260 8.544 0.147 1.00 0.00 C ATOM 1197 C ASP A 79 -8.783 8.621 0.187 1.00 0.00 C ATOM 1198 O ASP A 79 -9.420 8.065 1.082 1.00 0.00 O ATOM 1199 CB ASP A 79 -6.674 9.108 1.442 1.00 0.00 C ATOM 1200 CG ASP A 79 -6.478 10.610 1.383 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -7.007 11.241 0.444 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -5.795 11.155 2.275 1.00 0.00 O ATOM 0 H ASP A 79 -6.338 10.182 -0.784 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.969 7.498 0.052 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.335 8.863 2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.717 8.627 1.644 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.361 9.314 -0.788 1.00 0.00 N ATOM 1208 CA ASP A 80 -10.810 9.464 -0.864 1.00 0.00 C ATOM 1209 C ASP A 80 -11.413 8.438 -1.818 1.00 0.00 C ATOM 1210 O ASP A 80 -12.632 8.289 -1.894 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.174 10.878 -1.320 1.00 0.00 C ATOM 1212 CG ASP A 80 -12.665 11.144 -1.247 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -13.183 11.317 -0.124 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -13.314 11.179 -2.313 1.00 0.00 O ATOM 0 H ASP A 80 -8.849 9.781 -1.537 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.221 9.294 0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.648 11.603 -0.700 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.831 11.026 -2.344 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.551 7.734 -2.544 1.00 0.00 N ATOM 1220 CA GLN A 81 -10.999 6.723 -3.494 1.00 0.00 C ATOM 1221 C GLN A 81 -11.007 5.339 -2.853 1.00 0.00 C ATOM 1222 O GLN A 81 -10.604 5.173 -1.701 1.00 0.00 O ATOM 1223 CB GLN A 81 -10.099 6.720 -4.731 1.00 0.00 C ATOM 1224 CG GLN A 81 -10.570 7.661 -5.828 1.00 0.00 C ATOM 1225 CD GLN A 81 -11.026 9.003 -5.290 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -11.966 9.080 -4.497 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -10.362 10.070 -5.718 1.00 0.00 N ATOM 0 H GLN A 81 -9.538 7.845 -2.492 1.00 0.00 H new ATOM 0 HA GLN A 81 -12.017 6.970 -3.795 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.087 6.998 -4.435 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.047 5.707 -5.130 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.760 7.816 -6.541 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.390 7.195 -6.374 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.590 9.960 -6.375 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -10.624 10.999 -5.390 1.00 0.00 H new ATOM 1236 N THR A 82 -11.468 4.345 -3.607 1.00 0.00 N ATOM 1237 CA THR A 82 -11.530 2.976 -3.112 1.00 0.00 C ATOM 1238 C THR A 82 -11.034 1.989 -4.163 1.00 0.00 C ATOM 1239 O THR A 82 -10.963 2.313 -5.349 1.00 0.00 O ATOM 1240 CB THR A 82 -12.964 2.592 -2.700 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.861 2.798 -3.796 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.420 3.412 -1.503 1.00 0.00 C ATOM 0 H THR A 82 -11.804 4.463 -4.563 1.00 0.00 H new ATOM 0 HA THR A 82 -10.883 2.927 -2.236 1.00 0.00 H new ATOM 0 HB THR A 82 -12.969 1.538 -2.422 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.770 2.550 -3.526 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.435 3.124 -1.230 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.752 3.229 -0.661 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.400 4.471 -1.759 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.692 0.784 -3.721 1.00 0.00 N ATOM 1251 CA LEU A 83 -10.203 -0.252 -4.624 1.00 0.00 C ATOM 1252 C LEU A 83 -11.092 -0.362 -5.859 1.00 0.00 C ATOM 1253 O LEU A 83 -10.601 -0.485 -6.981 1.00 0.00 O ATOM 1254 CB LEU A 83 -10.144 -1.600 -3.902 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.994 -1.780 -2.911 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.718 -2.171 -3.640 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.781 -0.508 -2.103 1.00 0.00 C ATOM 0 H LEU A 83 -10.744 0.500 -2.743 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.199 0.025 -4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -11.083 -1.745 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -10.078 -2.389 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.256 -2.584 -2.223 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.910 -2.295 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.876 -3.109 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.452 -1.390 -4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.959 -0.655 -1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.542 0.315 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.690 -0.272 -1.550 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.402 -0.315 -5.644 1.00 0.00 N ATOM 1270 CA ASP A 84 -13.360 -0.406 -6.740 1.00 0.00 C ATOM 1271 C ASP A 84 -13.283 0.828 -7.633 1.00 0.00 C ATOM 1272 O ASP A 84 -13.159 0.718 -8.853 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.779 -0.567 -6.193 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.836 -0.116 -7.182 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -15.871 1.090 -7.505 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.629 -0.969 -7.634 1.00 0.00 O ATOM 0 H ASP A 84 -12.825 -0.214 -4.721 1.00 0.00 H new ATOM 0 HA ASP A 84 -13.108 -1.282 -7.338 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.949 -1.612 -5.935 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.878 0.008 -5.273 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.358 2.004 -7.017 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.298 3.259 -7.757 1.00 0.00 C ATOM 1283 C PHE A 85 -12.358 3.142 -8.953 1.00 0.00 C ATOM 1284 O PHE A 85 -12.712 3.510 -10.073 1.00 0.00 O ATOM 1285 CB PHE A 85 -12.837 4.394 -6.840 1.00 0.00 C ATOM 1286 CG PHE A 85 -12.974 5.757 -7.458 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -12.232 6.103 -8.575 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -13.846 6.690 -6.921 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -12.356 7.356 -9.144 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -13.974 7.945 -7.486 1.00 0.00 C ATOM 1291 CZ PHE A 85 -13.229 8.278 -8.600 1.00 0.00 C ATOM 0 H PHE A 85 -13.460 2.114 -6.008 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.299 3.483 -8.126 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.416 4.362 -5.917 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.794 4.230 -6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.549 5.386 -9.006 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -14.432 6.434 -6.051 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -11.770 7.614 -10.014 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.656 8.664 -7.057 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.329 9.257 -9.045 1.00 0.00 H new ATOM 1301 N TYR A 86 -11.158 2.629 -8.706 1.00 0.00 N ATOM 1302 CA TYR A 86 -10.164 2.466 -9.760 1.00 0.00 C ATOM 1303 C TYR A 86 -10.237 1.067 -10.366 1.00 0.00 C ATOM 1304 O TYR A 86 -9.866 0.858 -11.520 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.760 2.723 -9.211 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.509 4.168 -8.843 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -8.417 5.149 -9.822 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.366 4.552 -7.515 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -8.187 6.470 -9.490 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -8.138 5.871 -7.173 1.00 0.00 C ATOM 1311 CZ TYR A 86 -8.048 6.826 -8.164 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.821 8.141 -7.829 1.00 0.00 O ATOM 0 H TYR A 86 -10.850 2.319 -7.784 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.379 3.194 -10.543 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.604 2.100 -8.330 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -8.026 2.413 -9.955 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.527 4.874 -10.861 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.434 3.806 -6.737 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.116 7.220 -10.264 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -8.031 6.153 -6.136 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.239 8.725 -8.496 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.721 0.112 -9.577 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.835 -1.254 -10.052 1.00 0.00 C ATOM 1324 C GLY A 87 -9.559 -2.047 -9.849 1.00 0.00 C ATOM 1325 O GLY A 87 -9.287 -2.997 -10.584 1.00 0.00 O ATOM 0 H GLY A 87 -11.036 0.260 -8.618 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.654 -1.750 -9.531 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.090 -1.247 -11.112 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.774 -1.656 -8.851 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.520 -2.337 -8.554 1.00 0.00 C ATOM 1331 C ILE A 88 -7.725 -3.845 -8.447 1.00 0.00 C ATOM 1332 O ILE A 88 -8.712 -4.307 -7.876 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.895 -1.821 -7.245 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.375 -0.394 -7.430 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.774 -2.745 -6.793 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.389 0.424 -6.158 1.00 0.00 C ATOM 0 H ILE A 88 -8.984 -0.871 -8.234 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.842 -2.123 -9.380 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.664 -1.810 -6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.356 -0.434 -7.815 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.981 0.110 -8.183 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.342 -2.367 -5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.172 -3.746 -6.626 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.003 -2.785 -7.563 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.007 1.424 -6.364 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.410 0.496 -5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.760 -0.057 -5.409 1.00 0.00 H new ATOM 1348 N GLN A 89 -6.784 -4.605 -8.999 1.00 0.00 N ATOM 1349 CA GLN A 89 -6.861 -6.060 -8.964 1.00 0.00 C ATOM 1350 C GLN A 89 -5.916 -6.631 -7.912 1.00 0.00 C ATOM 1351 O GLN A 89 -4.872 -6.055 -7.602 1.00 0.00 O ATOM 1352 CB GLN A 89 -6.526 -6.643 -10.338 1.00 0.00 C ATOM 1353 CG GLN A 89 -7.378 -6.077 -11.463 1.00 0.00 C ATOM 1354 CD GLN A 89 -6.901 -4.715 -11.927 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -5.710 -4.409 -11.872 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -7.832 -3.887 -12.387 1.00 0.00 N ATOM 0 H GLN A 89 -5.960 -4.237 -9.475 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.881 -6.338 -8.698 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.476 -6.453 -10.558 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.654 -7.725 -10.305 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.366 -6.768 -12.306 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -8.412 -6.001 -11.127 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.808 -4.182 -12.415 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.571 -2.956 -12.712 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.287 -7.790 -7.348 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.485 -8.463 -6.322 1.00 0.00 C ATOM 1367 C PRO A 90 -4.189 -9.039 -6.884 1.00 0.00 C ATOM 1368 O PRO A 90 -3.420 -9.677 -6.168 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.403 -9.588 -5.836 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.314 -9.855 -6.984 1.00 0.00 C ATOM 1371 CD PRO A 90 -7.517 -8.532 -7.669 1.00 0.00 C ATOM 0 HA PRO A 90 -5.173 -7.778 -5.534 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.832 -10.477 -5.568 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.961 -9.288 -4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.878 -10.585 -7.666 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.263 -10.267 -6.641 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.645 -8.652 -8.745 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.404 -8.019 -7.298 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.954 -8.807 -8.172 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.750 -9.309 -8.808 1.00 0.00 C ATOM 1381 C GLY A 91 -1.979 -8.221 -9.530 1.00 0.00 C ATOM 1382 O GLY A 91 -1.207 -8.502 -10.447 1.00 0.00 O ATOM 0 H GLY A 91 -4.576 -8.281 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.108 -9.766 -8.055 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.017 -10.093 -9.517 1.00 0.00 H new ATOM 1386 N SER A 92 -2.188 -6.976 -9.116 1.00 0.00 N ATOM 1387 CA SER A 92 -1.511 -5.841 -9.733 1.00 0.00 C ATOM 1388 C SER A 92 -0.295 -5.422 -8.912 1.00 0.00 C ATOM 1389 O SER A 92 0.009 -6.021 -7.879 1.00 0.00 O ATOM 1390 CB SER A 92 -2.474 -4.662 -9.877 1.00 0.00 C ATOM 1391 OG SER A 92 -3.280 -4.517 -8.720 1.00 0.00 O ATOM 0 H SER A 92 -2.821 -6.727 -8.356 1.00 0.00 H new ATOM 0 HA SER A 92 -1.172 -6.146 -10.723 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.909 -3.746 -10.047 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.109 -4.812 -10.750 1.00 0.00 H new ATOM 0 HG SER A 92 -3.958 -5.224 -8.703 1.00 0.00 H new ATOM 1397 N THR A 93 0.399 -4.389 -9.379 1.00 0.00 N ATOM 1398 CA THR A 93 1.582 -3.889 -8.690 1.00 0.00 C ATOM 1399 C THR A 93 1.563 -2.368 -8.597 1.00 0.00 C ATOM 1400 O THR A 93 1.401 -1.676 -9.603 1.00 0.00 O ATOM 1401 CB THR A 93 2.875 -4.333 -9.400 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.805 -5.727 -9.719 1.00 0.00 O ATOM 1403 CG2 THR A 93 4.091 -4.067 -8.526 1.00 0.00 C ATOM 0 H THR A 93 0.162 -3.882 -10.232 1.00 0.00 H new ATOM 0 HA THR A 93 1.565 -4.311 -7.685 1.00 0.00 H new ATOM 0 HB THR A 93 2.975 -3.756 -10.319 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.630 -6.001 -10.171 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.992 -4.389 -9.048 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.158 -3.001 -8.310 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.996 -4.621 -7.592 1.00 0.00 H new ATOM 1411 N VAL A 94 1.731 -1.851 -7.384 1.00 0.00 N ATOM 1412 CA VAL A 94 1.735 -0.410 -7.161 1.00 0.00 C ATOM 1413 C VAL A 94 3.153 0.112 -6.963 1.00 0.00 C ATOM 1414 O VAL A 94 4.109 -0.663 -6.906 1.00 0.00 O ATOM 1415 CB VAL A 94 0.884 -0.030 -5.934 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.547 -0.516 -6.105 1.00 0.00 C ATOM 1417 CG2 VAL A 94 1.500 -0.596 -4.663 1.00 0.00 C ATOM 0 H VAL A 94 1.866 -2.409 -6.541 1.00 0.00 H new ATOM 0 HA VAL A 94 1.303 0.049 -8.050 1.00 0.00 H new ATOM 0 HB VAL A 94 0.865 1.057 -5.849 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.133 -0.238 -5.229 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.983 -0.058 -6.993 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.552 -1.600 -6.216 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.886 -0.318 -3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.551 -1.682 -4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.505 -0.194 -4.535 1.00 0.00 H new ATOM 1427 N HIS A 95 3.284 1.430 -6.858 1.00 0.00 N ATOM 1428 CA HIS A 95 4.587 2.056 -6.666 1.00 0.00 C ATOM 1429 C HIS A 95 4.484 3.243 -5.712 1.00 0.00 C ATOM 1430 O HIS A 95 3.612 4.099 -5.862 1.00 0.00 O ATOM 1431 CB HIS A 95 5.160 2.514 -8.007 1.00 0.00 C ATOM 1432 CG HIS A 95 5.560 1.383 -8.904 1.00 0.00 C ATOM 1433 ND1 HIS A 95 6.719 0.656 -8.728 1.00 0.00 N ATOM 1434 CD2 HIS A 95 4.948 0.854 -9.989 1.00 0.00 C ATOM 1435 CE1 HIS A 95 6.803 -0.269 -9.666 1.00 0.00 C ATOM 1436 NE2 HIS A 95 5.740 -0.171 -10.445 1.00 0.00 N ATOM 0 H HIS A 95 2.504 2.085 -6.903 1.00 0.00 H new ATOM 0 HA HIS A 95 5.256 1.316 -6.228 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.419 3.128 -8.519 1.00 0.00 H new ATOM 0 HB3 HIS A 95 6.028 3.147 -7.825 1.00 0.00 H new ATOM 0 HD2 HIS A 95 4.011 1.178 -10.417 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.604 -0.984 -9.778 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.540 -0.761 -11.253 1.00 0.00 H new ATOM 1445 N VAL A 96 5.379 3.287 -4.730 1.00 0.00 N ATOM 1446 CA VAL A 96 5.389 4.368 -3.753 1.00 0.00 C ATOM 1447 C VAL A 96 6.336 5.485 -4.177 1.00 0.00 C ATOM 1448 O VAL A 96 7.420 5.228 -4.704 1.00 0.00 O ATOM 1449 CB VAL A 96 5.804 3.861 -2.359 1.00 0.00 C ATOM 1450 CG1 VAL A 96 6.219 5.022 -1.469 1.00 0.00 C ATOM 1451 CG2 VAL A 96 4.672 3.068 -1.722 1.00 0.00 C ATOM 0 H VAL A 96 6.107 2.586 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 96 4.372 4.757 -3.703 1.00 0.00 H new ATOM 0 HB VAL A 96 6.662 3.199 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.509 4.644 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.063 5.543 -1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.383 5.713 -1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 96 4.982 2.717 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.794 3.705 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.428 2.212 -2.352 1.00 0.00 H new ATOM 1461 N LEU A 97 5.922 6.725 -3.945 1.00 0.00 N ATOM 1462 CA LEU A 97 6.734 7.883 -4.303 1.00 0.00 C ATOM 1463 C LEU A 97 6.926 8.805 -3.104 1.00 0.00 C ATOM 1464 O LEU A 97 5.957 9.252 -2.490 1.00 0.00 O ATOM 1465 CB LEU A 97 6.081 8.652 -5.453 1.00 0.00 C ATOM 1466 CG LEU A 97 6.994 9.604 -6.227 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.523 10.698 -5.312 1.00 0.00 C ATOM 1468 CD2 LEU A 97 8.143 8.839 -6.867 1.00 0.00 C ATOM 0 H LEU A 97 5.028 6.955 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 97 7.713 7.525 -4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.663 7.931 -6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 97 5.246 9.227 -5.052 1.00 0.00 H new ATOM 0 HG LEU A 97 6.410 10.072 -7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.171 11.366 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.687 11.265 -4.902 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.091 10.248 -4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.782 9.533 -7.413 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.726 8.342 -6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.745 8.093 -7.555 1.00 0.00 H new ATOM 1480 N ARG A 98 8.183 9.087 -2.776 1.00 0.00 N ATOM 1481 CA ARG A 98 8.502 9.957 -1.651 1.00 0.00 C ATOM 1482 C ARG A 98 8.078 11.395 -1.937 1.00 0.00 C ATOM 1483 O ARG A 98 8.393 11.948 -2.991 1.00 0.00 O ATOM 1484 CB ARG A 98 10.001 9.907 -1.349 1.00 0.00 C ATOM 1485 CG ARG A 98 10.436 8.637 -0.635 1.00 0.00 C ATOM 1486 CD ARG A 98 10.343 8.788 0.875 1.00 0.00 C ATOM 1487 NE ARG A 98 11.333 7.968 1.569 1.00 0.00 N ATOM 1488 CZ ARG A 98 12.619 8.290 1.661 1.00 0.00 C ATOM 1489 NH1 ARG A 98 13.067 9.407 1.106 1.00 0.00 N ATOM 1490 NH2 ARG A 98 13.458 7.492 2.309 1.00 0.00 N ATOM 0 H ARG A 98 8.997 8.725 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 98 7.950 9.600 -0.781 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.555 9.996 -2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.269 10.768 -0.737 1.00 0.00 H new ATOM 0 HG2 ARG A 98 9.811 7.804 -0.958 1.00 0.00 H new ATOM 0 HG3 ARG A 98 11.461 8.393 -0.915 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.486 9.834 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.343 8.507 1.207 1.00 0.00 H new ATOM 0 HE ARG A 98 11.020 7.101 2.007 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.424 10.022 0.607 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.055 9.652 1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.116 6.631 2.736 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.445 7.739 2.380 1.00 0.00 H new