USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 462 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 78 LYS NZ :NH3+ -145:sc= 0.953 (180deg=0) USER MOD Set 1.2: A 82 GLN : amide:sc= 0.829 K(o=1.8,f=-7.9!) USER MOD Set 2.1: A 29 CYS SG : rot 137:sc= 0.846 USER MOD Set 2.2: A 38 CYS SG : rot 170:sc= 1.7 USER MOD Set 2.3: A 74 CYS SG : rot -138:sc= 0.344 USER MOD Set 2.4: A 77 HIS : no HD1:sc= 1.65 K(o=4.5,f=-8.4!) USER MOD Set 3.1: A 57 GLN : amide:sc= -0.156 K(o=0.85,f=-1.8) USER MOD Set 3.2: A 58 LYS NZ :NH3+ -105:sc= 1.01 (180deg=-0.418) USER MOD Single : A 27 GLN : amide:sc= 0.169 K(o=0.17,f=-1.5) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -83:sc= 0.291 USER MOD Single : A 44 ASN : amide:sc= 0.01 K(o=0.01,f=-1.2) 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 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.93) USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0561) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 75:sc= 0.396 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -0.292 K(o=-0.29,f=-1.7!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0143 K(o=-0.014,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 27 -3.282 7.826 -5.219 1.00 0.00 N ATOM 48 CA GLN A 27 -4.104 8.747 -6.024 1.00 0.00 C ATOM 49 C GLN A 27 -5.117 9.514 -5.153 1.00 0.00 C ATOM 50 O GLN A 27 -6.313 9.236 -5.087 1.00 0.00 O ATOM 51 CB GLN A 27 -4.758 8.029 -7.223 1.00 0.00 C ATOM 52 CG GLN A 27 -4.949 8.953 -8.442 1.00 0.00 C ATOM 53 CD GLN A 27 -3.664 9.286 -9.197 1.00 0.00 C ATOM 54 OE1 GLN A 27 -2.553 9.079 -8.730 1.00 0.00 O ATOM 55 NE2 GLN A 27 -3.762 9.845 -10.380 1.00 0.00 N ATOM 0 HA GLN A 27 -3.439 9.499 -6.449 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.141 7.178 -7.511 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -5.726 7.632 -6.919 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.648 8.481 -9.132 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.409 9.883 -8.108 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -4.681 10.025 -10.785 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.919 10.100 -10.895 1.00 0.00 H new ATOM 64 N SER A 28 -4.584 10.507 -4.458 1.00 0.00 N ATOM 65 CA SER A 28 -5.269 11.463 -3.596 1.00 0.00 C ATOM 66 C SER A 28 -4.739 12.861 -3.894 1.00 0.00 C ATOM 67 O SER A 28 -3.771 13.009 -4.650 1.00 0.00 O ATOM 68 CB SER A 28 -5.056 11.089 -2.125 1.00 0.00 C ATOM 69 OG SER A 28 -3.671 11.070 -1.795 1.00 0.00 O ATOM 0 H SER A 28 -3.579 10.681 -4.483 1.00 0.00 H new ATOM 0 HA SER A 28 -6.341 11.444 -3.790 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.575 11.804 -1.486 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.493 10.110 -1.929 1.00 0.00 H new ATOM 0 HG SER A 28 -3.563 10.830 -0.851 1.00 0.00 H new ATOM 75 N CYS A 29 -5.395 13.867 -3.324 1.00 0.00 N ATOM 76 CA CYS A 29 -5.067 15.275 -3.484 1.00 0.00 C ATOM 77 C CYS A 29 -3.607 15.624 -3.080 1.00 0.00 C ATOM 78 O CYS A 29 -2.846 14.812 -2.534 1.00 0.00 O ATOM 79 CB CYS A 29 -6.155 16.031 -2.699 1.00 0.00 C ATOM 80 SG CYS A 29 -6.456 17.718 -3.305 1.00 0.00 S ATOM 0 H CYS A 29 -6.200 13.716 -2.716 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.076 15.576 -4.532 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.085 15.465 -2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.866 16.078 -1.649 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.736 17.943 -3.344 1.00 0.00 H new ATOM 85 N CYS A 30 -3.194 16.854 -3.363 1.00 0.00 N ATOM 86 CA CYS A 30 -1.896 17.422 -2.970 1.00 0.00 C ATOM 87 C CYS A 30 -2.052 18.771 -2.268 1.00 0.00 C ATOM 88 O CYS A 30 -1.059 19.391 -1.905 1.00 0.00 O ATOM 89 CB CYS A 30 -0.941 17.507 -4.176 1.00 0.00 C ATOM 90 SG CYS A 30 -1.372 18.848 -5.326 1.00 0.00 S ATOM 0 H CYS A 30 -3.769 17.511 -3.890 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.447 16.744 -2.244 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.077 17.656 -3.817 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.954 16.558 -4.711 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.302 18.441 -6.138 1.00 0.00 H new ATOM 96 N LEU A 31 -3.293 19.217 -2.088 1.00 0.00 N ATOM 97 CA LEU A 31 -3.605 20.498 -1.484 1.00 0.00 C ATOM 98 C LEU A 31 -3.724 20.386 0.040 1.00 0.00 C ATOM 99 O LEU A 31 -3.905 19.309 0.614 1.00 0.00 O ATOM 100 CB LEU A 31 -4.903 21.019 -2.125 1.00 0.00 C ATOM 101 CG LEU A 31 -4.756 21.294 -3.635 1.00 0.00 C ATOM 102 CD1 LEU A 31 -6.107 21.597 -4.254 1.00 0.00 C ATOM 103 CD2 LEU A 31 -3.787 22.432 -3.933 1.00 0.00 C ATOM 0 H LEU A 31 -4.119 18.686 -2.364 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.796 21.205 -1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.698 20.290 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.209 21.936 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.343 20.388 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.984 21.789 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.771 20.744 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.538 22.476 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.722 22.582 -5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.144 23.347 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.801 22.182 -3.542 1.00 0.00 H new ATOM 115 N ILE A 32 -3.648 21.536 0.691 1.00 0.00 N ATOM 116 CA ILE A 32 -3.801 21.720 2.130 1.00 0.00 C ATOM 117 C ILE A 32 -4.700 22.931 2.308 1.00 0.00 C ATOM 118 O ILE A 32 -4.410 23.962 1.710 1.00 0.00 O ATOM 119 CB ILE A 32 -2.416 21.970 2.771 1.00 0.00 C ATOM 120 CG1 ILE A 32 -1.490 20.759 2.518 1.00 0.00 C ATOM 121 CG2 ILE A 32 -2.548 22.317 4.264 1.00 0.00 C ATOM 122 CD1 ILE A 32 -0.210 20.702 3.354 1.00 0.00 C ATOM 0 H ILE A 32 -3.468 22.415 0.206 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.232 20.841 2.610 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.955 22.837 2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.060 19.848 2.701 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.212 20.755 1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.558 22.487 4.687 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.150 23.218 4.376 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.029 21.491 4.788 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.358 19.810 3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.393 21.588 3.157 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.468 20.667 4.412 1.00 0.00 H new ATOM 134 N GLU A 33 -5.748 22.837 3.126 1.00 0.00 N ATOM 135 CA GLU A 33 -6.621 23.983 3.398 1.00 0.00 C ATOM 136 C GLU A 33 -6.768 24.228 4.904 1.00 0.00 C ATOM 137 O GLU A 33 -7.165 23.366 5.681 1.00 0.00 O ATOM 138 CB GLU A 33 -7.928 23.908 2.591 1.00 0.00 C ATOM 139 CG GLU A 33 -8.429 25.341 2.322 1.00 0.00 C ATOM 140 CD GLU A 33 -9.519 25.485 1.249 1.00 0.00 C ATOM 141 OE1 GLU A 33 -9.849 24.484 0.565 1.00 0.00 O ATOM 142 OE2 GLU A 33 -9.963 26.645 1.078 1.00 0.00 O ATOM 0 H GLU A 33 -6.014 21.981 3.612 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.146 24.892 3.029 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.761 23.384 1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.680 23.343 3.142 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.811 25.752 3.256 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.576 25.953 2.029 1.00 0.00 H new ATOM 149 N ASP A 34 -6.312 25.415 5.307 1.00 0.00 N ATOM 150 CA ASP A 34 -6.146 25.929 6.685 1.00 0.00 C ATOM 151 C ASP A 34 -5.216 25.065 7.576 1.00 0.00 C ATOM 152 O ASP A 34 -4.987 25.362 8.746 1.00 0.00 O ATOM 153 CB ASP A 34 -7.509 26.268 7.331 1.00 0.00 C ATOM 154 CG ASP A 34 -7.486 27.517 8.232 1.00 0.00 C ATOM 155 OD1 ASP A 34 -6.577 28.368 8.077 1.00 0.00 O ATOM 156 OD2 ASP A 34 -8.480 27.739 8.957 1.00 0.00 O ATOM 0 H ASP A 34 -6.020 26.111 4.621 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.604 26.871 6.601 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.246 26.416 6.542 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.842 25.414 7.921 1.00 0.00 H new ATOM 161 N GLY A 35 -4.644 24.005 6.998 1.00 0.00 N ATOM 162 CA GLY A 35 -3.755 23.025 7.620 1.00 0.00 C ATOM 163 C GLY A 35 -4.262 21.594 7.440 1.00 0.00 C ATOM 164 O GLY A 35 -3.485 20.650 7.595 1.00 0.00 O ATOM 0 H GLY A 35 -4.803 23.796 6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.759 23.113 7.187 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.661 23.245 8.683 1.00 0.00 H new ATOM 168 N GLU A 36 -5.542 21.406 7.094 1.00 0.00 N ATOM 169 CA GLU A 36 -6.065 20.087 6.758 1.00 0.00 C ATOM 170 C GLU A 36 -5.473 19.667 5.411 1.00 0.00 C ATOM 171 O GLU A 36 -5.828 20.195 4.353 1.00 0.00 O ATOM 172 CB GLU A 36 -7.605 20.031 6.736 1.00 0.00 C ATOM 173 CG GLU A 36 -8.012 18.560 6.473 1.00 0.00 C ATOM 174 CD GLU A 36 -9.480 18.211 6.767 1.00 0.00 C ATOM 175 OE1 GLU A 36 -10.334 18.495 5.896 1.00 0.00 O ATOM 176 OE2 GLU A 36 -9.723 17.570 7.818 1.00 0.00 O ATOM 0 H GLU A 36 -6.231 22.156 7.041 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.767 19.388 7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.015 20.379 7.684 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.002 20.684 5.958 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.804 18.326 5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.376 17.913 7.077 1.00 0.00 H new ATOM 183 N ARG A 37 -4.503 18.749 5.455 1.00 0.00 N ATOM 184 CA ARG A 37 -3.926 18.137 4.257 1.00 0.00 C ATOM 185 C ARG A 37 -5.037 17.319 3.601 1.00 0.00 C ATOM 186 O ARG A 37 -5.375 16.251 4.100 1.00 0.00 O ATOM 187 CB ARG A 37 -2.682 17.305 4.629 1.00 0.00 C ATOM 188 CG ARG A 37 -1.773 16.880 3.459 1.00 0.00 C ATOM 189 CD ARG A 37 -2.507 16.269 2.259 1.00 0.00 C ATOM 190 NE ARG A 37 -1.616 15.425 1.453 1.00 0.00 N ATOM 191 CZ ARG A 37 -1.914 14.276 0.887 1.00 0.00 C ATOM 192 NH1 ARG A 37 -3.115 13.782 0.819 1.00 0.00 N ATOM 193 NH2 ARG A 37 -0.953 13.580 0.374 1.00 0.00 N ATOM 0 H ARG A 37 -4.095 18.409 6.326 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.570 18.880 3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.084 17.880 5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.014 16.406 5.149 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.213 17.751 3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.045 16.157 3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.351 15.676 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.915 17.066 1.637 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.664 15.766 1.318 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.900 14.294 1.221 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.272 12.883 0.364 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.006 13.926 0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.153 12.685 -0.072 1.00 0.00 H new ATOM 207 N CYS A 38 -5.584 17.821 2.501 1.00 0.00 N ATOM 208 CA CYS A 38 -6.679 17.216 1.767 1.00 0.00 C ATOM 209 C CYS A 38 -6.373 15.743 1.434 1.00 0.00 C ATOM 210 O CYS A 38 -5.341 15.417 0.839 1.00 0.00 O ATOM 211 CB CYS A 38 -6.900 18.099 0.538 1.00 0.00 C ATOM 212 SG CYS A 38 -8.527 17.761 -0.197 1.00 0.00 S ATOM 0 H CYS A 38 -5.262 18.694 2.083 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.598 17.172 2.351 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.832 19.150 0.820 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.116 17.914 -0.197 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.787 18.654 -1.106 1.00 0.00 H new ATOM 217 N VAL A 39 -7.272 14.837 1.821 1.00 0.00 N ATOM 218 CA VAL A 39 -7.157 13.376 1.605 1.00 0.00 C ATOM 219 C VAL A 39 -8.225 12.837 0.653 1.00 0.00 C ATOM 220 O VAL A 39 -8.329 11.628 0.452 1.00 0.00 O ATOM 221 CB VAL A 39 -7.158 12.582 2.929 1.00 0.00 C ATOM 222 CG1 VAL A 39 -5.857 12.801 3.702 1.00 0.00 C ATOM 223 CG2 VAL A 39 -8.354 12.911 3.832 1.00 0.00 C ATOM 0 H VAL A 39 -8.129 15.097 2.309 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.187 13.227 1.130 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.245 11.533 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.885 12.230 4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.014 12.469 3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.744 13.861 3.931 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.294 12.319 4.745 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.338 13.971 4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.281 12.677 3.308 1.00 0.00 H new ATOM 233 N ARG A 40 -9.027 13.712 0.035 1.00 0.00 N ATOM 234 CA ARG A 40 -10.008 13.303 -0.979 1.00 0.00 C ATOM 235 C ARG A 40 -9.330 12.584 -2.174 1.00 0.00 C ATOM 236 O ARG A 40 -8.181 12.902 -2.511 1.00 0.00 O ATOM 237 CB ARG A 40 -10.824 14.527 -1.420 1.00 0.00 C ATOM 238 CG ARG A 40 -11.820 14.994 -0.347 1.00 0.00 C ATOM 239 CD ARG A 40 -12.781 16.049 -0.920 1.00 0.00 C ATOM 240 NE ARG A 40 -13.868 16.407 0.025 1.00 0.00 N ATOM 241 CZ ARG A 40 -14.883 15.651 0.413 1.00 0.00 C ATOM 242 NH1 ARG A 40 -15.059 14.446 -0.056 1.00 0.00 N ATOM 243 NH2 ARG A 40 -15.752 16.100 1.272 1.00 0.00 N ATOM 0 H ARG A 40 -9.016 14.715 0.221 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.691 12.575 -0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.144 15.345 -1.659 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.367 14.286 -2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.388 14.141 0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.279 15.411 0.502 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.218 16.946 -1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.218 15.672 -1.845 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.828 17.346 0.422 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.405 14.064 -0.740 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.850 13.886 0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -15.654 17.042 1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -16.531 15.510 1.565 1.00 0.00 H new ATOM 257 N PRO A 41 -10.023 11.620 -2.815 1.00 0.00 N ATOM 258 CA PRO A 41 -9.476 10.847 -3.931 1.00 0.00 C ATOM 259 C PRO A 41 -9.241 11.740 -5.152 1.00 0.00 C ATOM 260 O PRO A 41 -10.065 12.600 -5.468 1.00 0.00 O ATOM 261 CB PRO A 41 -10.506 9.749 -4.219 1.00 0.00 C ATOM 262 CG PRO A 41 -11.822 10.360 -3.743 1.00 0.00 C ATOM 263 CD PRO A 41 -11.393 11.203 -2.543 1.00 0.00 C ATOM 0 HA PRO A 41 -8.504 10.417 -3.688 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.540 9.499 -5.279 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.273 8.829 -3.682 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.289 10.968 -4.518 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.544 9.594 -3.461 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.046 12.067 -2.419 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.449 10.626 -1.620 1.00 0.00 H new ATOM 271 N ALA A 42 -8.119 11.521 -5.838 1.00 0.00 N ATOM 272 CA ALA A 42 -7.750 12.290 -7.024 1.00 0.00 C ATOM 273 C ALA A 42 -8.127 11.568 -8.323 1.00 0.00 C ATOM 274 O ALA A 42 -7.903 10.367 -8.472 1.00 0.00 O ATOM 275 CB ALA A 42 -6.253 12.583 -6.986 1.00 0.00 C ATOM 0 H ALA A 42 -7.440 10.803 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.310 13.225 -7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.972 13.157 -7.869 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.017 13.157 -6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.699 11.645 -6.972 1.00 0.00 H new ATOM 281 N GLY A 43 -8.645 12.342 -9.276 1.00 0.00 N ATOM 282 CA GLY A 43 -8.991 11.886 -10.623 1.00 0.00 C ATOM 283 C GLY A 43 -8.073 12.509 -11.673 1.00 0.00 C ATOM 284 O GLY A 43 -6.868 12.644 -11.466 1.00 0.00 O ATOM 0 H GLY A 43 -8.841 13.332 -9.129 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.918 10.800 -10.671 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.027 12.146 -10.842 1.00 0.00 H new ATOM 288 N ASN A 44 -8.644 12.910 -12.808 1.00 0.00 N ATOM 289 CA ASN A 44 -7.928 13.605 -13.885 1.00 0.00 C ATOM 290 C ASN A 44 -7.382 14.997 -13.499 1.00 0.00 C ATOM 291 O ASN A 44 -6.559 15.553 -14.229 1.00 0.00 O ATOM 292 CB ASN A 44 -8.876 13.730 -15.089 1.00 0.00 C ATOM 293 CG ASN A 44 -9.307 12.383 -15.636 1.00 0.00 C ATOM 294 OD1 ASN A 44 -10.085 11.666 -15.035 1.00 0.00 O ATOM 295 ND2 ASN A 44 -8.807 11.987 -16.783 1.00 0.00 N ATOM 0 H ASN A 44 -9.632 12.760 -13.011 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.047 13.007 -14.120 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.759 14.297 -14.794 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -8.382 14.297 -15.878 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.071 11.080 -17.168 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.155 12.586 -17.289 1.00 0.00 H new ATOM 302 N ALA A 45 -7.861 15.578 -12.393 1.00 0.00 N ATOM 303 CA ALA A 45 -7.468 16.899 -11.916 1.00 0.00 C ATOM 304 C ALA A 45 -6.015 16.930 -11.394 1.00 0.00 C ATOM 305 O ALA A 45 -5.563 16.052 -10.657 1.00 0.00 O ATOM 306 CB ALA A 45 -8.475 17.346 -10.847 1.00 0.00 C ATOM 0 H ALA A 45 -8.551 15.126 -11.793 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.486 17.600 -12.750 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.198 18.333 -10.477 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.473 17.388 -11.283 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.469 16.634 -10.021 1.00 0.00 H new ATOM 312 N SER A 46 -5.287 17.991 -11.748 1.00 0.00 N ATOM 313 CA SER A 46 -3.881 18.209 -11.376 1.00 0.00 C ATOM 314 C SER A 46 -3.580 19.693 -11.085 1.00 0.00 C ATOM 315 O SER A 46 -4.430 20.559 -11.290 1.00 0.00 O ATOM 316 CB SER A 46 -2.937 17.634 -12.445 1.00 0.00 C ATOM 317 OG SER A 46 -3.309 18.025 -13.753 1.00 0.00 O ATOM 0 H SER A 46 -5.667 18.746 -12.318 1.00 0.00 H new ATOM 0 HA SER A 46 -3.701 17.670 -10.446 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.918 17.966 -12.244 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.936 16.546 -12.379 1.00 0.00 H new ATOM 0 HG SER A 46 -2.682 17.640 -14.400 1.00 0.00 H new ATOM 323 N PHE A 47 -2.364 20.009 -10.629 1.00 0.00 N ATOM 324 CA PHE A 47 -1.935 21.336 -10.172 1.00 0.00 C ATOM 325 C PHE A 47 -0.805 21.922 -11.038 1.00 0.00 C ATOM 326 O PHE A 47 0.378 21.881 -10.698 1.00 0.00 O ATOM 327 CB PHE A 47 -1.576 21.251 -8.681 1.00 0.00 C ATOM 328 CG PHE A 47 -1.493 22.608 -8.021 1.00 0.00 C ATOM 329 CD1 PHE A 47 -2.659 23.198 -7.505 1.00 0.00 C ATOM 330 CD2 PHE A 47 -0.264 23.283 -7.925 1.00 0.00 C ATOM 331 CE1 PHE A 47 -2.592 24.454 -6.885 1.00 0.00 C ATOM 332 CE2 PHE A 47 -0.202 24.550 -7.321 1.00 0.00 C ATOM 333 CZ PHE A 47 -1.367 25.139 -6.803 1.00 0.00 C ATOM 0 H PHE A 47 -1.618 19.316 -10.565 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.758 22.041 -10.290 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.323 20.646 -8.166 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.620 20.739 -8.571 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.606 22.685 -7.586 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.634 22.827 -8.316 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.485 24.897 -6.469 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.742 25.071 -7.255 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.322 26.115 -6.343 1.00 0.00 H new ATOM 343 N SER A 48 -1.146 22.447 -12.216 1.00 0.00 N ATOM 344 CA SER A 48 -0.129 23.040 -13.095 1.00 0.00 C ATOM 345 C SER A 48 0.335 24.429 -12.633 1.00 0.00 C ATOM 346 O SER A 48 -0.373 25.158 -11.935 1.00 0.00 O ATOM 347 CB SER A 48 -0.617 23.101 -14.543 1.00 0.00 C ATOM 348 OG SER A 48 -1.556 24.149 -14.727 1.00 0.00 O ATOM 0 H SER A 48 -2.098 22.476 -12.581 1.00 0.00 H new ATOM 0 HA SER A 48 0.736 22.380 -13.037 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.233 23.250 -15.209 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.073 22.149 -14.816 1.00 0.00 H new ATOM 0 HG SER A 48 -1.849 24.165 -15.662 1.00 0.00 H new ATOM 354 N LYS A 49 1.494 24.873 -13.140 1.00 0.00 N ATOM 355 CA LYS A 49 2.051 26.225 -12.913 1.00 0.00 C ATOM 356 C LYS A 49 1.159 27.394 -13.388 1.00 0.00 C ATOM 357 O LYS A 49 1.501 28.559 -13.176 1.00 0.00 O ATOM 358 CB LYS A 49 3.475 26.311 -13.489 1.00 0.00 C ATOM 359 CG LYS A 49 4.448 25.403 -12.713 1.00 0.00 C ATOM 360 CD LYS A 49 5.928 25.723 -12.972 1.00 0.00 C ATOM 361 CE LYS A 49 6.351 25.465 -14.426 1.00 0.00 C ATOM 362 NZ LYS A 49 7.808 25.688 -14.621 1.00 0.00 N ATOM 0 H LYS A 49 2.088 24.293 -13.733 1.00 0.00 H new ATOM 0 HA LYS A 49 2.087 26.356 -11.832 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.463 26.021 -14.540 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.825 27.342 -13.447 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.246 25.497 -11.646 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.257 24.365 -12.984 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.117 26.767 -12.724 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.546 25.120 -12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.099 24.441 -14.702 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.790 26.122 -15.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.057 25.505 -15.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.044 26.672 -14.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.343 25.044 -14.005 1.00 0.00 H new ATOM 376 N ARG A 50 0.029 27.110 -14.052 1.00 0.00 N ATOM 377 CA ARG A 50 -0.976 28.114 -14.440 1.00 0.00 C ATOM 378 C ARG A 50 -2.017 28.315 -13.332 1.00 0.00 C ATOM 379 O ARG A 50 -2.428 29.452 -13.113 1.00 0.00 O ATOM 380 CB ARG A 50 -1.637 27.703 -15.769 1.00 0.00 C ATOM 381 CG ARG A 50 -2.405 28.879 -16.396 1.00 0.00 C ATOM 382 CD ARG A 50 -3.041 28.497 -17.738 1.00 0.00 C ATOM 383 NE ARG A 50 -3.670 29.671 -18.373 1.00 0.00 N ATOM 384 CZ ARG A 50 -4.389 29.683 -19.481 1.00 0.00 C ATOM 385 NH1 ARG A 50 -4.653 28.599 -20.157 1.00 0.00 N ATOM 386 NH2 ARG A 50 -4.850 30.812 -19.942 1.00 0.00 N ATOM 0 H ARG A 50 -0.217 26.163 -14.339 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.477 29.072 -14.584 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.874 27.352 -16.464 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.319 26.870 -15.597 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.182 29.213 -15.708 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.726 29.719 -16.542 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.281 28.083 -18.401 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.788 27.718 -17.583 1.00 0.00 H new ATOM 0 HE ARG A 50 -3.535 30.568 -17.907 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.300 27.698 -19.834 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -5.212 28.652 -21.008 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.655 31.682 -19.447 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.406 30.825 -20.797 1.00 0.00 H new ATOM 400 N VAL A 51 -2.390 27.243 -12.622 1.00 0.00 N ATOM 401 CA VAL A 51 -3.370 27.256 -11.520 1.00 0.00 C ATOM 402 C VAL A 51 -2.916 28.201 -10.406 1.00 0.00 C ATOM 403 O VAL A 51 -3.680 29.070 -9.990 1.00 0.00 O ATOM 404 CB VAL A 51 -3.602 25.831 -10.964 1.00 0.00 C ATOM 405 CG1 VAL A 51 -4.719 25.838 -9.921 1.00 0.00 C ATOM 406 CG2 VAL A 51 -4.016 24.849 -12.069 1.00 0.00 C ATOM 0 H VAL A 51 -2.009 26.314 -12.801 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.317 27.620 -11.917 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.657 25.513 -10.523 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.868 24.827 -9.541 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.444 26.498 -9.098 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.642 26.193 -10.379 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.169 23.860 -11.638 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.942 25.191 -12.531 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.231 24.798 -12.823 1.00 0.00 H new ATOM 416 N GLN A 52 -1.636 28.094 -10.023 1.00 0.00 N ATOM 417 CA GLN A 52 -0.947 28.934 -9.035 1.00 0.00 C ATOM 418 C GLN A 52 -1.360 30.413 -9.105 1.00 0.00 C ATOM 419 O GLN A 52 -1.856 30.956 -8.124 1.00 0.00 O ATOM 420 CB GLN A 52 0.575 28.805 -9.241 1.00 0.00 C ATOM 421 CG GLN A 52 1.133 27.420 -8.878 1.00 0.00 C ATOM 422 CD GLN A 52 2.625 27.270 -9.185 1.00 0.00 C ATOM 423 OE1 GLN A 52 3.158 27.803 -10.148 1.00 0.00 O ATOM 424 NE2 GLN A 52 3.359 26.526 -8.387 1.00 0.00 N ATOM 0 H GLN A 52 -1.021 27.381 -10.415 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.237 28.578 -8.046 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.811 29.020 -10.283 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.080 29.560 -8.638 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.967 27.236 -7.817 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.578 26.657 -9.425 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.934 26.073 -7.578 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.354 26.402 -8.577 1.00 0.00 H new ATOM 433 N LYS A 53 -1.260 31.051 -10.278 1.00 0.00 N ATOM 434 CA LYS A 53 -1.559 32.484 -10.446 1.00 0.00 C ATOM 435 C LYS A 53 -3.018 32.841 -10.113 1.00 0.00 C ATOM 436 O LYS A 53 -3.273 33.915 -9.569 1.00 0.00 O ATOM 437 CB LYS A 53 -1.199 32.942 -11.872 1.00 0.00 C ATOM 438 CG LYS A 53 0.310 33.070 -12.162 1.00 0.00 C ATOM 439 CD LYS A 53 1.044 31.737 -12.399 1.00 0.00 C ATOM 440 CE LYS A 53 2.535 31.923 -12.720 1.00 0.00 C ATOM 441 NZ LYS A 53 2.765 32.664 -13.987 1.00 0.00 N ATOM 0 H LYS A 53 -0.969 30.590 -11.140 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.940 33.020 -9.726 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.630 32.236 -12.582 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.671 33.907 -12.056 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.443 33.702 -13.040 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.783 33.584 -11.325 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.944 31.111 -11.513 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.564 31.205 -13.221 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.014 32.458 -11.900 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.012 30.945 -12.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.782 32.672 -14.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.248 32.198 -14.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.426 33.642 -13.884 1.00 0.00 H new ATOM 455 N SER A 54 -3.961 31.936 -10.401 1.00 0.00 N ATOM 456 CA SER A 54 -5.387 32.094 -10.070 1.00 0.00 C ATOM 457 C SER A 54 -5.652 32.068 -8.563 1.00 0.00 C ATOM 458 O SER A 54 -6.631 32.660 -8.116 1.00 0.00 O ATOM 459 CB SER A 54 -6.229 31.003 -10.746 1.00 0.00 C ATOM 460 OG SER A 54 -7.575 31.440 -10.873 1.00 0.00 O ATOM 0 H SER A 54 -3.754 31.059 -10.878 1.00 0.00 H new ATOM 0 HA SER A 54 -5.677 33.075 -10.446 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.818 30.771 -11.729 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.189 30.085 -10.159 1.00 0.00 H new ATOM 0 HG SER A 54 -8.107 30.740 -11.306 1.00 0.00 H new ATOM 466 N ILE A 55 -4.792 31.397 -7.790 1.00 0.00 N ATOM 467 CA ILE A 55 -4.878 31.309 -6.326 1.00 0.00 C ATOM 468 C ILE A 55 -4.120 32.480 -5.688 1.00 0.00 C ATOM 469 O ILE A 55 -4.660 33.150 -4.810 1.00 0.00 O ATOM 470 CB ILE A 55 -4.320 29.962 -5.809 1.00 0.00 C ATOM 471 CG1 ILE A 55 -4.968 28.757 -6.529 1.00 0.00 C ATOM 472 CG2 ILE A 55 -4.578 29.837 -4.297 1.00 0.00 C ATOM 473 CD1 ILE A 55 -4.286 27.432 -6.190 1.00 0.00 C ATOM 0 H ILE A 55 -3.996 30.887 -8.173 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.929 31.364 -6.043 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.250 29.951 -6.015 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.022 28.699 -6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.927 28.917 -7.606 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.183 28.887 -3.938 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.084 30.656 -3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.650 29.880 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.782 26.621 -6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.238 27.475 -6.488 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.351 27.254 -5.117 1.00 0.00 H new ATOM 485 N SER A 56 -2.921 32.814 -6.188 1.00 0.00 N ATOM 486 CA SER A 56 -2.114 33.958 -5.729 1.00 0.00 C ATOM 487 C SER A 56 -2.884 35.279 -5.811 1.00 0.00 C ATOM 488 O SER A 56 -2.920 36.041 -4.848 1.00 0.00 O ATOM 489 CB SER A 56 -0.840 34.101 -6.573 1.00 0.00 C ATOM 490 OG SER A 56 -0.107 32.896 -6.645 1.00 0.00 O ATOM 0 H SER A 56 -2.475 32.286 -6.938 1.00 0.00 H new ATOM 0 HA SER A 56 -1.863 33.754 -4.688 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.108 34.421 -7.580 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.210 34.882 -6.147 1.00 0.00 H new ATOM 0 HG SER A 56 -0.559 32.274 -7.252 1.00 0.00 H new ATOM 496 N GLN A 57 -3.586 35.515 -6.926 1.00 0.00 N ATOM 497 CA GLN A 57 -4.455 36.683 -7.110 1.00 0.00 C ATOM 498 C GLN A 57 -5.724 36.649 -6.227 1.00 0.00 C ATOM 499 O GLN A 57 -6.519 37.587 -6.236 1.00 0.00 O ATOM 500 CB GLN A 57 -4.783 36.803 -8.610 1.00 0.00 C ATOM 501 CG GLN A 57 -5.276 38.206 -9.020 1.00 0.00 C ATOM 502 CD GLN A 57 -6.671 38.220 -9.642 1.00 0.00 C ATOM 503 OE1 GLN A 57 -7.585 37.507 -9.245 1.00 0.00 O ATOM 504 NE2 GLN A 57 -6.889 39.034 -10.652 1.00 0.00 N ATOM 0 H GLN A 57 -3.566 34.893 -7.734 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.924 37.574 -6.776 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.894 36.555 -9.190 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.546 36.069 -8.867 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.275 38.851 -8.141 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -4.569 38.635 -9.730 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -6.139 39.634 -10.994 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.808 39.065 -11.093 1.00 0.00 H new ATOM 513 N LYS A 58 -5.954 35.575 -5.463 1.00 0.00 N ATOM 514 CA LYS A 58 -7.114 35.374 -4.577 1.00 0.00 C ATOM 515 C LYS A 58 -6.725 35.155 -3.103 1.00 0.00 C ATOM 516 O LYS A 58 -7.601 35.200 -2.248 1.00 0.00 O ATOM 517 CB LYS A 58 -7.937 34.191 -5.124 1.00 0.00 C ATOM 518 CG LYS A 58 -9.434 34.259 -4.783 1.00 0.00 C ATOM 519 CD LYS A 58 -10.313 34.933 -5.852 1.00 0.00 C ATOM 520 CE LYS A 58 -10.168 36.451 -6.006 1.00 0.00 C ATOM 521 NZ LYS A 58 -9.074 36.838 -6.929 1.00 0.00 N ATOM 0 H LYS A 58 -5.309 34.785 -5.442 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.711 36.286 -4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.823 34.153 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.527 33.262 -4.728 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.800 33.246 -4.618 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.553 34.798 -3.843 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.093 34.471 -6.814 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.356 34.712 -5.624 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.108 36.865 -6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.984 36.894 -5.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.264 37.189 -6.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.781 36.010 -7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.408 37.586 -7.569 1.00 0.00 H new ATOM 535 N LYS A 59 -5.428 34.981 -2.810 1.00 0.00 N ATOM 536 CA LYS A 59 -4.825 34.817 -1.470 1.00 0.00 C ATOM 537 C LYS A 59 -5.557 33.806 -0.569 1.00 0.00 C ATOM 538 O LYS A 59 -5.740 34.042 0.622 1.00 0.00 O ATOM 539 CB LYS A 59 -4.629 36.197 -0.808 1.00 0.00 C ATOM 540 CG LYS A 59 -3.708 37.115 -1.629 1.00 0.00 C ATOM 541 CD LYS A 59 -3.491 38.455 -0.918 1.00 0.00 C ATOM 542 CE LYS A 59 -2.548 39.331 -1.750 1.00 0.00 C ATOM 543 NZ LYS A 59 -2.365 40.669 -1.135 1.00 0.00 N ATOM 0 H LYS A 59 -4.723 34.948 -3.547 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.843 34.365 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.599 36.678 -0.683 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.209 36.063 0.189 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.748 36.624 -1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.144 37.288 -2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.445 38.962 -0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.069 38.288 0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.581 38.838 -1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.949 39.444 -2.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.722 41.236 -1.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.285 41.149 -1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.960 40.561 -0.183 1.00 0.00 H new ATOM 557 N LEU A 60 -5.992 32.689 -1.160 1.00 0.00 N ATOM 558 CA LEU A 60 -6.606 31.565 -0.446 1.00 0.00 C ATOM 559 C LEU A 60 -5.584 30.820 0.430 1.00 0.00 C ATOM 560 O LEU A 60 -4.392 30.807 0.133 1.00 0.00 O ATOM 561 CB LEU A 60 -7.208 30.585 -1.467 1.00 0.00 C ATOM 562 CG LEU A 60 -8.498 31.038 -2.170 1.00 0.00 C ATOM 563 CD1 LEU A 60 -8.865 29.987 -3.219 1.00 0.00 C ATOM 564 CD2 LEU A 60 -9.664 31.186 -1.192 1.00 0.00 C ATOM 0 H LEU A 60 -5.926 32.538 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.383 31.964 0.207 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.456 30.382 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.409 29.642 -0.958 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.318 32.013 -2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.779 30.288 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.055 29.898 -3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.023 29.025 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.554 31.508 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.859 30.228 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.412 31.928 -0.435 1.00 0.00 H new ATOM 576 N LYS A 61 -6.080 30.141 1.471 1.00 0.00 N ATOM 577 CA LYS A 61 -5.337 29.268 2.407 1.00 0.00 C ATOM 578 C LYS A 61 -4.974 27.894 1.795 1.00 0.00 C ATOM 579 O LYS A 61 -5.002 26.895 2.507 1.00 0.00 O ATOM 580 CB LYS A 61 -6.232 29.052 3.649 1.00 0.00 C ATOM 581 CG LYS A 61 -6.521 30.303 4.490 1.00 0.00 C ATOM 582 CD LYS A 61 -7.626 29.971 5.507 1.00 0.00 C ATOM 583 CE LYS A 61 -7.467 30.713 6.837 1.00 0.00 C ATOM 584 NZ LYS A 61 -7.593 32.178 6.692 1.00 0.00 N ATOM 0 H LYS A 61 -7.072 30.185 1.703 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.395 29.755 2.657 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.182 28.631 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.759 28.308 4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.618 30.628 5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.834 31.126 3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.595 30.219 5.074 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.626 28.897 5.695 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.220 30.356 7.540 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.493 30.477 7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.477 32.630 7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.859 32.527 6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.532 32.409 6.309 1.00 0.00 H new ATOM 598 N LEU A 62 -4.682 27.836 0.494 1.00 0.00 N ATOM 599 CA LEU A 62 -4.485 26.591 -0.265 1.00 0.00 C ATOM 600 C LEU A 62 -2.997 26.274 -0.546 1.00 0.00 C ATOM 601 O LEU A 62 -2.443 26.723 -1.550 1.00 0.00 O ATOM 602 CB LEU A 62 -5.383 26.679 -1.519 1.00 0.00 C ATOM 603 CG LEU A 62 -5.820 25.362 -2.165 1.00 0.00 C ATOM 604 CD1 LEU A 62 -6.532 24.406 -1.211 1.00 0.00 C ATOM 605 CD2 LEU A 62 -6.779 25.661 -3.321 1.00 0.00 C ATOM 0 H LEU A 62 -4.572 28.673 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.790 25.727 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.280 27.238 -1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.855 27.264 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.903 24.874 -2.497 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.809 23.497 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.866 24.153 -0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.430 24.884 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.093 24.726 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.653 26.189 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.274 26.281 -4.062 1.00 0.00 H new ATOM 617 N ASP A 63 -2.350 25.550 0.371 1.00 0.00 N ATOM 618 CA ASP A 63 -0.920 25.178 0.303 1.00 0.00 C ATOM 619 C ASP A 63 -0.694 23.818 -0.403 1.00 0.00 C ATOM 620 O ASP A 63 -1.648 23.124 -0.760 1.00 0.00 O ATOM 621 CB ASP A 63 -0.253 25.249 1.696 1.00 0.00 C ATOM 622 CG ASP A 63 1.204 25.751 1.641 1.00 0.00 C ATOM 623 OD1 ASP A 63 2.025 25.144 0.908 1.00 0.00 O ATOM 624 OD2 ASP A 63 1.506 26.743 2.334 1.00 0.00 O ATOM 0 H ASP A 63 -2.812 25.193 1.207 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.423 25.919 -0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.835 25.910 2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.274 24.260 2.154 1.00 0.00 H new ATOM 629 N ILE A 64 0.567 23.404 -0.577 1.00 0.00 N ATOM 630 CA ILE A 64 0.984 22.223 -1.348 1.00 0.00 C ATOM 631 C ILE A 64 1.791 21.208 -0.532 1.00 0.00 C ATOM 632 O ILE A 64 2.891 21.477 -0.042 1.00 0.00 O ATOM 633 CB ILE A 64 1.788 22.667 -2.597 1.00 0.00 C ATOM 634 CG1 ILE A 64 1.038 23.695 -3.476 1.00 0.00 C ATOM 635 CG2 ILE A 64 2.196 21.453 -3.455 1.00 0.00 C ATOM 636 CD1 ILE A 64 -0.262 23.162 -4.084 1.00 0.00 C ATOM 0 H ILE A 64 1.358 23.902 -0.168 1.00 0.00 H new ATOM 0 HA ILE A 64 0.070 21.711 -1.649 1.00 0.00 H new ATOM 0 HB ILE A 64 2.680 23.161 -2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.812 24.576 -2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.698 24.019 -4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.758 21.794 -4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.816 20.781 -2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.302 20.925 -3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.729 23.942 -4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.042 22.300 -4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.942 22.865 -3.286 1.00 0.00 H new ATOM 648 N ASP A 65 1.257 19.989 -0.475 1.00 0.00 N ATOM 649 CA ASP A 65 1.888 18.826 0.131 1.00 0.00 C ATOM 650 C ASP A 65 3.107 18.333 -0.667 1.00 0.00 C ATOM 651 O ASP A 65 3.014 17.631 -1.684 1.00 0.00 O ATOM 652 CB ASP A 65 0.885 17.689 0.320 1.00 0.00 C ATOM 653 CG ASP A 65 1.606 16.455 0.870 1.00 0.00 C ATOM 654 OD1 ASP A 65 2.635 16.621 1.561 1.00 0.00 O ATOM 655 OD2 ASP A 65 1.135 15.330 0.596 1.00 0.00 O ATOM 0 H ASP A 65 0.338 19.780 -0.865 1.00 0.00 H new ATOM 0 HA ASP A 65 2.247 19.146 1.109 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.095 17.997 1.005 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.407 17.450 -0.630 1.00 0.00 H new ATOM 660 N LYS A 66 4.280 18.673 -0.137 1.00 0.00 N ATOM 661 CA LYS A 66 5.583 18.256 -0.659 1.00 0.00 C ATOM 662 C LYS A 66 5.970 16.825 -0.251 1.00 0.00 C ATOM 663 O LYS A 66 6.903 16.301 -0.848 1.00 0.00 O ATOM 664 CB LYS A 66 6.636 19.311 -0.259 1.00 0.00 C ATOM 665 CG LYS A 66 6.330 20.657 -0.952 1.00 0.00 C ATOM 666 CD LYS A 66 7.013 21.870 -0.308 1.00 0.00 C ATOM 667 CE LYS A 66 6.321 23.136 -0.842 1.00 0.00 C ATOM 668 NZ LYS A 66 6.721 24.363 -0.109 1.00 0.00 N ATOM 0 H LYS A 66 4.354 19.263 0.692 1.00 0.00 H new ATOM 0 HA LYS A 66 5.528 18.210 -1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.637 19.442 0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.631 18.967 -0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.638 20.593 -1.995 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.252 20.817 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.935 21.821 0.778 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.076 21.884 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.559 23.256 -1.899 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.240 23.012 -0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.225 25.184 -0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.471 24.264 0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.748 24.501 -0.198 1.00 0.00 H new ATOM 682 N SER A 67 5.264 16.178 0.686 1.00 0.00 N ATOM 683 CA SER A 67 5.538 14.807 1.167 1.00 0.00 C ATOM 684 C SER A 67 5.442 13.761 0.049 1.00 0.00 C ATOM 685 O SER A 67 6.387 13.018 -0.203 1.00 0.00 O ATOM 686 CB SER A 67 4.557 14.459 2.300 1.00 0.00 C ATOM 687 OG SER A 67 4.929 13.264 2.955 1.00 0.00 O ATOM 0 H SER A 67 4.460 16.603 1.148 1.00 0.00 H new ATOM 0 HA SER A 67 6.564 14.785 1.535 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.526 15.276 3.021 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.551 14.355 1.893 1.00 0.00 H new ATOM 0 HG SER A 67 4.288 13.070 3.671 1.00 0.00 H new ATOM 693 N VAL A 68 4.340 13.760 -0.712 1.00 0.00 N ATOM 694 CA VAL A 68 4.162 12.856 -1.875 1.00 0.00 C ATOM 695 C VAL A 68 4.805 13.436 -3.153 1.00 0.00 C ATOM 696 O VAL A 68 4.850 12.772 -4.188 1.00 0.00 O ATOM 697 CB VAL A 68 2.666 12.481 -2.056 1.00 0.00 C ATOM 698 CG1 VAL A 68 2.422 11.335 -3.053 1.00 0.00 C ATOM 699 CG2 VAL A 68 2.055 11.998 -0.729 1.00 0.00 C ATOM 0 H VAL A 68 3.546 14.379 -0.547 1.00 0.00 H new ATOM 0 HA VAL A 68 4.695 11.927 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 68 2.209 13.398 -2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.353 11.134 -3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.802 11.619 -4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.938 10.438 -2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.007 11.742 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.596 11.119 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.129 12.791 0.015 1.00 0.00 H new ATOM 709 N ARG A 69 5.324 14.677 -3.091 1.00 0.00 N ATOM 710 CA ARG A 69 5.959 15.445 -4.186 1.00 0.00 C ATOM 711 C ARG A 69 5.248 15.283 -5.546 1.00 0.00 C ATOM 712 O ARG A 69 5.886 15.141 -6.589 1.00 0.00 O ATOM 713 CB ARG A 69 7.457 15.093 -4.195 1.00 0.00 C ATOM 714 CG ARG A 69 8.333 16.108 -4.955 1.00 0.00 C ATOM 715 CD ARG A 69 9.827 15.756 -4.894 1.00 0.00 C ATOM 716 NE ARG A 69 10.111 14.359 -5.281 1.00 0.00 N ATOM 717 CZ ARG A 69 10.052 13.824 -6.487 1.00 0.00 C ATOM 718 NH1 ARG A 69 9.675 14.491 -7.542 1.00 0.00 N ATOM 719 NH2 ARG A 69 10.357 12.570 -6.648 1.00 0.00 N ATOM 0 H ARG A 69 5.312 15.207 -2.219 1.00 0.00 H new ATOM 0 HA ARG A 69 5.854 16.514 -4.001 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.810 15.022 -3.166 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.586 14.108 -4.644 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.015 16.150 -5.997 1.00 0.00 H new ATOM 0 HG3 ARG A 69 8.180 17.102 -4.535 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.379 16.428 -5.551 1.00 0.00 H new ATOM 0 HD3 ARG A 69 10.193 15.928 -3.882 1.00 0.00 H new ATOM 0 HE ARG A 69 10.386 13.732 -4.525 1.00 0.00 H new ATOM 0 HH11 ARG A 69 9.409 15.472 -7.457 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.646 14.032 -8.452 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.639 12.007 -5.846 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.314 12.150 -7.576 1.00 0.00 H new ATOM 733 N HIS A 70 3.911 15.311 -5.521 1.00 0.00 N ATOM 734 CA HIS A 70 3.023 15.083 -6.672 1.00 0.00 C ATOM 735 C HIS A 70 2.083 16.269 -6.907 1.00 0.00 C ATOM 736 O HIS A 70 1.870 17.064 -5.998 1.00 0.00 O ATOM 737 CB HIS A 70 2.292 13.727 -6.533 1.00 0.00 C ATOM 738 CG HIS A 70 1.117 13.613 -5.569 1.00 0.00 C ATOM 739 ND1 HIS A 70 0.218 12.557 -5.562 1.00 0.00 N ATOM 740 CD2 HIS A 70 0.709 14.490 -4.592 1.00 0.00 C ATOM 741 CE1 HIS A 70 -0.726 12.804 -4.631 1.00 0.00 C ATOM 742 NE2 HIS A 70 -0.452 13.975 -4.028 1.00 0.00 N ATOM 0 H HIS A 70 3.394 15.501 -4.663 1.00 0.00 H new ATOM 0 HA HIS A 70 3.630 15.017 -7.575 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.933 13.444 -7.523 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.032 12.984 -6.238 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.201 15.410 -4.314 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.567 12.165 -4.406 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.001 14.409 -3.286 1.00 0.00 H new ATOM 751 N LEU A 71 1.475 16.336 -8.094 1.00 0.00 N ATOM 752 CA LEU A 71 0.640 17.459 -8.544 1.00 0.00 C ATOM 753 C LEU A 71 -0.798 17.027 -8.878 1.00 0.00 C ATOM 754 O LEU A 71 -1.381 17.541 -9.823 1.00 0.00 O ATOM 755 CB LEU A 71 1.282 18.171 -9.761 1.00 0.00 C ATOM 756 CG LEU A 71 2.775 18.545 -9.652 1.00 0.00 C ATOM 757 CD1 LEU A 71 3.690 17.455 -10.224 1.00 0.00 C ATOM 758 CD2 LEU A 71 3.053 19.821 -10.452 1.00 0.00 C ATOM 0 H LEU A 71 1.550 15.593 -8.789 1.00 0.00 H new ATOM 0 HA LEU A 71 0.583 18.159 -7.711 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.157 17.529 -10.633 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.718 19.084 -9.955 1.00 0.00 H new ATOM 0 HG LEU A 71 2.983 18.677 -8.590 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.730 17.764 -10.125 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.534 16.525 -9.677 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.457 17.300 -11.277 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.109 20.079 -10.370 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.800 19.656 -11.499 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.449 20.637 -10.057 1.00 0.00 H new ATOM 770 N TYR A 72 -1.355 16.047 -8.169 1.00 0.00 N ATOM 771 CA TYR A 72 -2.754 15.619 -8.323 1.00 0.00 C ATOM 772 C TYR A 72 -3.667 16.348 -7.344 1.00 0.00 C ATOM 773 O TYR A 72 -3.227 16.653 -6.241 1.00 0.00 O ATOM 774 CB TYR A 72 -2.839 14.107 -8.088 1.00 0.00 C ATOM 775 CG TYR A 72 -2.469 13.341 -9.333 1.00 0.00 C ATOM 776 CD1 TYR A 72 -3.301 13.449 -10.463 1.00 0.00 C ATOM 777 CD2 TYR A 72 -1.280 12.593 -9.397 1.00 0.00 C ATOM 778 CE1 TYR A 72 -2.934 12.840 -11.670 1.00 0.00 C ATOM 779 CE2 TYR A 72 -0.922 11.954 -10.599 1.00 0.00 C ATOM 780 CZ TYR A 72 -1.746 12.082 -11.738 1.00 0.00 C ATOM 781 OH TYR A 72 -1.402 11.453 -12.887 1.00 0.00 O ATOM 0 H TYR A 72 -0.845 15.518 -7.461 1.00 0.00 H new ATOM 0 HA TYR A 72 -3.086 15.863 -9.332 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.173 13.825 -7.273 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.850 13.840 -7.780 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.226 14.003 -10.399 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.644 12.509 -8.528 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.558 12.950 -12.545 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.017 11.366 -10.650 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.555 10.978 -12.759 1.00 0.00 H new ATOM 791 N ILE A 73 -4.929 16.587 -7.701 1.00 0.00 N ATOM 792 CA ILE A 73 -5.913 17.189 -6.788 1.00 0.00 C ATOM 793 C ILE A 73 -7.236 16.427 -6.850 1.00 0.00 C ATOM 794 O ILE A 73 -7.544 15.765 -7.844 1.00 0.00 O ATOM 795 CB ILE A 73 -6.117 18.708 -7.034 1.00 0.00 C ATOM 796 CG1 ILE A 73 -6.871 19.023 -8.339 1.00 0.00 C ATOM 797 CG2 ILE A 73 -4.771 19.447 -6.993 1.00 0.00 C ATOM 798 CD1 ILE A 73 -7.144 20.513 -8.585 1.00 0.00 C ATOM 0 H ILE A 73 -5.301 16.372 -8.626 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.509 17.102 -5.779 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.751 19.067 -6.223 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.295 18.631 -9.178 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.822 18.491 -8.329 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.934 20.510 -7.168 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.308 19.306 -6.016 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.114 19.049 -7.766 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.679 20.634 -9.527 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.749 20.911 -7.771 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.198 21.053 -8.632 1.00 0.00 H new ATOM 810 N CYS A 74 -8.030 16.521 -5.790 1.00 0.00 N ATOM 811 CA CYS A 74 -9.375 15.966 -5.768 1.00 0.00 C ATOM 812 C CYS A 74 -10.339 16.856 -6.576 1.00 0.00 C ATOM 813 O CYS A 74 -10.154 18.074 -6.694 1.00 0.00 O ATOM 814 CB CYS A 74 -9.813 15.775 -4.317 1.00 0.00 C ATOM 815 SG CYS A 74 -10.159 17.367 -3.525 1.00 0.00 S ATOM 0 H CYS A 74 -7.758 16.984 -4.923 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.389 14.988 -6.249 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.703 15.147 -4.282 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -9.032 15.252 -3.764 1.00 0.00 H new ATOM 0 HG CYS A 74 -9.682 17.363 -2.316 1.00 0.00 H new ATOM 820 N ASP A 75 -11.411 16.265 -7.108 1.00 0.00 N ATOM 821 CA ASP A 75 -12.370 17.011 -7.936 1.00 0.00 C ATOM 822 C ASP A 75 -13.158 18.080 -7.146 1.00 0.00 C ATOM 823 O ASP A 75 -13.629 19.070 -7.709 1.00 0.00 O ATOM 824 CB ASP A 75 -13.283 16.047 -8.712 1.00 0.00 C ATOM 825 CG ASP A 75 -13.340 16.448 -10.188 1.00 0.00 C ATOM 826 OD1 ASP A 75 -12.264 16.420 -10.826 1.00 0.00 O ATOM 827 OD2 ASP A 75 -14.415 16.881 -10.665 1.00 0.00 O ATOM 0 H ASP A 75 -11.639 15.279 -6.983 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.792 17.578 -8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -12.910 15.027 -8.619 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -14.286 16.061 -8.285 1.00 0.00 H new ATOM 832 N PHE A 76 -13.248 17.922 -5.820 1.00 0.00 N ATOM 833 CA PHE A 76 -13.841 18.904 -4.909 1.00 0.00 C ATOM 834 C PHE A 76 -13.012 20.199 -4.945 1.00 0.00 C ATOM 835 O PHE A 76 -13.544 21.284 -5.185 1.00 0.00 O ATOM 836 CB PHE A 76 -13.890 18.271 -3.510 1.00 0.00 C ATOM 837 CG PHE A 76 -14.668 19.041 -2.463 1.00 0.00 C ATOM 838 CD1 PHE A 76 -16.075 19.024 -2.485 1.00 0.00 C ATOM 839 CD2 PHE A 76 -13.994 19.740 -1.443 1.00 0.00 C ATOM 840 CE1 PHE A 76 -16.807 19.703 -1.495 1.00 0.00 C ATOM 841 CE2 PHE A 76 -14.726 20.416 -0.451 1.00 0.00 C ATOM 842 CZ PHE A 76 -16.132 20.400 -0.476 1.00 0.00 C ATOM 0 H PHE A 76 -12.903 17.090 -5.342 1.00 0.00 H new ATOM 0 HA PHE A 76 -14.856 19.171 -5.204 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -14.324 17.275 -3.598 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.868 18.143 -3.154 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -16.594 18.487 -3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.914 19.757 -1.423 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -17.887 19.690 -1.517 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -14.207 20.949 0.332 1.00 0.00 H new ATOM 0 HZ PHE A 76 -16.693 20.922 0.286 1.00 0.00 H new ATOM 852 N HIS A 77 -11.684 20.073 -4.827 1.00 0.00 N ATOM 853 CA HIS A 77 -10.762 21.203 -4.977 1.00 0.00 C ATOM 854 C HIS A 77 -10.672 21.711 -6.426 1.00 0.00 C ATOM 855 O HIS A 77 -10.532 22.920 -6.630 1.00 0.00 O ATOM 856 CB HIS A 77 -9.373 20.842 -4.425 1.00 0.00 C ATOM 857 CG HIS A 77 -9.179 21.200 -2.955 1.00 0.00 C ATOM 858 ND1 HIS A 77 -8.674 20.370 -1.929 1.00 0.00 N ATOM 859 CD2 HIS A 77 -9.483 22.410 -2.410 1.00 0.00 C ATOM 860 CE1 HIS A 77 -8.725 21.121 -0.803 1.00 0.00 C ATOM 861 NE2 HIS A 77 -9.222 22.338 -1.064 1.00 0.00 N ATOM 0 H HIS A 77 -11.221 19.187 -4.625 1.00 0.00 H new ATOM 0 HA HIS A 77 -11.168 22.027 -4.390 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.209 19.772 -4.553 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.614 21.354 -5.017 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.861 23.271 -2.941 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.408 20.785 0.173 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.379 23.080 -0.382 1.00 0.00 H new ATOM 869 N LYS A 78 -10.813 20.836 -7.436 1.00 0.00 N ATOM 870 CA LYS A 78 -10.872 21.259 -8.849 1.00 0.00 C ATOM 871 C LYS A 78 -11.998 22.277 -9.065 1.00 0.00 C ATOM 872 O LYS A 78 -11.774 23.313 -9.688 1.00 0.00 O ATOM 873 CB LYS A 78 -11.061 20.041 -9.771 1.00 0.00 C ATOM 874 CG LYS A 78 -11.012 20.404 -11.272 1.00 0.00 C ATOM 875 CD LYS A 78 -11.658 19.354 -12.192 1.00 0.00 C ATOM 876 CE LYS A 78 -13.149 19.118 -11.915 1.00 0.00 C ATOM 877 NZ LYS A 78 -14.028 20.250 -12.283 1.00 0.00 N ATOM 0 H LYS A 78 -10.889 19.828 -7.301 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.926 21.738 -9.101 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.286 19.306 -9.556 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.018 19.569 -9.548 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.514 21.360 -11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.972 20.541 -11.568 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.536 19.669 -13.228 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.124 18.410 -12.081 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.471 18.232 -12.461 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.279 18.903 -10.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.812 20.316 -11.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.481 21.134 -12.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.410 20.097 -13.238 1.00 0.00 H new ATOM 891 N ASN A 79 -13.203 22.000 -8.550 1.00 0.00 N ATOM 892 CA ASN A 79 -14.317 22.949 -8.647 1.00 0.00 C ATOM 893 C ASN A 79 -14.030 24.222 -7.836 1.00 0.00 C ATOM 894 O ASN A 79 -14.260 25.306 -8.348 1.00 0.00 O ATOM 895 CB ASN A 79 -15.653 22.285 -8.255 1.00 0.00 C ATOM 896 CG ASN A 79 -16.876 23.085 -8.717 1.00 0.00 C ATOM 897 OD1 ASN A 79 -17.026 24.270 -8.481 1.00 0.00 O ATOM 898 ND2 ASN A 79 -17.803 22.469 -9.415 1.00 0.00 N ATOM 0 H ASN A 79 -13.430 21.132 -8.065 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.416 23.255 -9.689 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.696 21.285 -8.686 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.690 22.167 -7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.620 22.983 -9.743 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.705 21.476 -9.629 1.00 0.00 H new ATOM 905 N PHE A 80 -13.450 24.129 -6.634 1.00 0.00 N ATOM 906 CA PHE A 80 -13.173 25.295 -5.782 1.00 0.00 C ATOM 907 C PHE A 80 -12.380 26.396 -6.505 1.00 0.00 C ATOM 908 O PHE A 80 -12.806 27.551 -6.542 1.00 0.00 O ATOM 909 CB PHE A 80 -12.447 24.825 -4.514 1.00 0.00 C ATOM 910 CG PHE A 80 -12.169 25.905 -3.489 1.00 0.00 C ATOM 911 CD1 PHE A 80 -13.232 26.652 -2.943 1.00 0.00 C ATOM 912 CD2 PHE A 80 -10.859 26.098 -3.007 1.00 0.00 C ATOM 913 CE1 PHE A 80 -12.992 27.561 -1.899 1.00 0.00 C ATOM 914 CE2 PHE A 80 -10.628 26.990 -1.950 1.00 0.00 C ATOM 915 CZ PHE A 80 -11.692 27.714 -1.390 1.00 0.00 C ATOM 0 H PHE A 80 -13.158 23.242 -6.222 1.00 0.00 H new ATOM 0 HA PHE A 80 -14.126 25.751 -5.516 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.043 24.044 -4.042 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.500 24.371 -4.805 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.233 26.525 -3.328 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.034 25.560 -3.451 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -13.805 28.141 -1.489 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.627 27.120 -1.565 1.00 0.00 H new ATOM 0 HZ PHE A 80 -11.511 28.389 -0.567 1.00 0.00 H new ATOM 925 N ILE A 81 -11.276 26.041 -7.172 1.00 0.00 N ATOM 926 CA ILE A 81 -10.460 27.003 -7.941 1.00 0.00 C ATOM 927 C ILE A 81 -11.196 27.481 -9.217 1.00 0.00 C ATOM 928 O ILE A 81 -10.944 28.579 -9.714 1.00 0.00 O ATOM 929 CB ILE A 81 -9.054 26.430 -8.245 1.00 0.00 C ATOM 930 CG1 ILE A 81 -8.375 25.883 -6.960 1.00 0.00 C ATOM 931 CG2 ILE A 81 -8.173 27.535 -8.880 1.00 0.00 C ATOM 932 CD1 ILE A 81 -7.165 24.987 -7.237 1.00 0.00 C ATOM 0 H ILE A 81 -10.920 25.086 -7.198 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.312 27.887 -7.321 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.165 25.600 -8.942 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -8.060 26.723 -6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.109 25.320 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.183 27.133 -9.094 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.633 27.880 -9.806 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.082 28.371 -8.187 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.743 24.643 -6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.477 24.127 -7.830 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.412 25.552 -7.786 1.00 0.00 H new ATOM 944 N GLN A 82 -12.142 26.696 -9.738 1.00 0.00 N ATOM 945 CA GLN A 82 -13.001 27.093 -10.863 1.00 0.00 C ATOM 946 C GLN A 82 -14.160 28.003 -10.392 1.00 0.00 C ATOM 947 O GLN A 82 -14.625 28.859 -11.148 1.00 0.00 O ATOM 948 CB GLN A 82 -13.483 25.826 -11.607 1.00 0.00 C ATOM 949 CG GLN A 82 -12.287 25.137 -12.297 1.00 0.00 C ATOM 950 CD GLN A 82 -12.518 23.722 -12.834 1.00 0.00 C ATOM 951 OE1 GLN A 82 -13.439 22.982 -12.507 1.00 0.00 O ATOM 952 NE2 GLN A 82 -11.639 23.275 -13.705 1.00 0.00 N ATOM 0 H GLN A 82 -12.337 25.757 -9.390 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.429 27.695 -11.569 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -13.955 25.138 -10.905 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -14.237 26.093 -12.347 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.966 25.766 -13.127 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.461 25.100 -11.587 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.862 23.868 -13.996 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.735 22.335 -14.089 1.00 0.00 H new