USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 721 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 65 HIS : no HE2:sc= -1.95! C(o=-4.6!,f=-13!) USER MOD Set 1.2: A 77 MET CE :methyl 167:sc= -2.67 (180deg=-1.55!) USER MOD Set 2.1: A 61 THR OG1 : rot -74:sc= 0.354 USER MOD Set 2.2: A 62 SER OG : rot -35:sc= 0.0849 USER MOD Set 3.1: A 47 LYS NZ :NH3+ -135:sc= 0.378 (180deg=-0.0115) USER MOD Set 3.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -1.05 USER MOD Single : A 18 THR OG1 : rot 14:sc= 0.263! USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= -0.0393 (180deg=-0.0393) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 180:sc=0.000783 USER MOD Single : A 36 GLN : amide:sc=-0.00486 X(o=-0.0049,f=-0.13) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc=-0.00084 X(o=-0.00084,f=-0.023) USER MOD Single : A 43 HIS : no HE2:sc= 0.00124 X(o=0.0012,f=-0.026) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -0.0237 X(o=-0.024,f=-0.46) USER MOD Single : A 53 GLN : amide:sc= -0.0129 X(o=-0.013,f=-0.079) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0194 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -39:sc= 0.503 USER MOD Single : A 79 CYS SG : rot 100:sc= -3.73! USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -154:sc= -0.0703 (180deg=-0.421) USER MOD Single : A 95 GLN : amide:sc= 0.00737 X(o=0.0074,f=0) USER MOD Single : A 98 CYS SG : rot 101:sc= 0.493 USER MOD ----------------------------------------------------------------- ATOM 87 N PRO A 9 -3.329 7.894 17.896 1.00 0.00 N ATOM 88 CA PRO A 9 -3.188 7.562 16.489 1.00 0.00 C ATOM 89 C PRO A 9 -3.367 8.803 15.612 1.00 0.00 C ATOM 90 O PRO A 9 -4.216 9.648 15.893 1.00 0.00 O ATOM 91 CB PRO A 9 -4.238 6.494 16.229 1.00 0.00 C ATOM 92 CG PRO A 9 -5.233 6.601 17.373 1.00 0.00 C ATOM 93 CD PRO A 9 -4.603 7.456 18.460 1.00 0.00 C ATOM 0 HA PRO A 9 -2.193 7.191 16.242 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.728 6.654 15.269 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.787 5.502 16.195 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.165 7.048 17.028 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.478 5.612 17.759 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.237 8.306 18.713 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -4.455 6.885 19.377 1.00 0.00 H new ATOM 101 N ILE A 10 -2.555 8.873 14.568 1.00 0.00 N ATOM 102 CA ILE A 10 -2.613 9.997 13.649 1.00 0.00 C ATOM 103 C ILE A 10 -3.778 9.796 12.677 1.00 0.00 C ATOM 104 O ILE A 10 -4.493 10.743 12.355 1.00 0.00 O ATOM 105 CB ILE A 10 -1.262 10.194 12.957 1.00 0.00 C ATOM 106 CG1 ILE A 10 -0.145 10.397 13.983 1.00 0.00 C ATOM 107 CG2 ILE A 10 -1.327 11.340 11.945 1.00 0.00 C ATOM 108 CD1 ILE A 10 1.231 10.297 13.322 1.00 0.00 C ATOM 0 H ILE A 10 -1.853 8.170 14.338 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.805 10.923 14.191 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.027 9.286 12.401 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.255 11.372 14.457 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.229 9.648 14.771 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.355 11.459 11.467 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.078 11.115 11.188 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.595 12.264 12.458 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.007 10.445 14.073 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.347 9.312 12.870 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.321 11.063 12.551 1.00 0.00 H new ATOM 120 N GLY A 11 -3.932 8.555 12.237 1.00 0.00 N ATOM 121 CA GLY A 11 -4.997 8.218 11.309 1.00 0.00 C ATOM 122 C GLY A 11 -5.184 6.702 11.217 1.00 0.00 C ATOM 123 O GLY A 11 -4.218 5.947 11.314 1.00 0.00 O ATOM 0 H GLY A 11 -3.337 7.772 12.506 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.928 8.684 11.633 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.766 8.620 10.323 1.00 0.00 H new ATOM 127 N GLU A 12 -6.433 6.302 11.029 1.00 0.00 N ATOM 128 CA GLU A 12 -6.759 4.890 10.923 1.00 0.00 C ATOM 129 C GLU A 12 -7.277 4.569 9.519 1.00 0.00 C ATOM 130 O GLU A 12 -7.635 5.472 8.765 1.00 0.00 O ATOM 131 CB GLU A 12 -7.775 4.479 11.990 1.00 0.00 C ATOM 132 CG GLU A 12 -7.109 4.348 13.361 1.00 0.00 C ATOM 133 CD GLU A 12 -7.956 3.490 14.302 1.00 0.00 C ATOM 134 OE1 GLU A 12 -8.261 2.344 13.905 1.00 0.00 O ATOM 135 OE2 GLU A 12 -8.279 3.998 15.397 1.00 0.00 O ATOM 0 H GLU A 12 -7.232 6.931 10.947 1.00 0.00 H new ATOM 0 HA GLU A 12 -5.850 4.314 11.094 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.575 5.218 12.039 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.235 3.530 11.713 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.120 3.903 13.248 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.965 5.337 13.795 1.00 0.00 H new ATOM 142 N ALA A 13 -7.300 3.281 9.212 1.00 0.00 N ATOM 143 CA ALA A 13 -7.768 2.830 7.912 1.00 0.00 C ATOM 144 C ALA A 13 -8.346 1.419 8.044 1.00 0.00 C ATOM 145 O ALA A 13 -7.920 0.648 8.903 1.00 0.00 O ATOM 146 CB ALA A 13 -6.619 2.897 6.904 1.00 0.00 C ATOM 0 H ALA A 13 -7.002 2.535 9.841 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.563 3.479 7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.970 2.559 5.929 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.264 3.924 6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.804 2.256 7.239 1.00 0.00 H new ATOM 152 N SER A 14 -9.307 1.125 7.181 1.00 0.00 N ATOM 153 CA SER A 14 -9.947 -0.180 7.191 1.00 0.00 C ATOM 154 C SER A 14 -9.766 -0.862 5.833 1.00 0.00 C ATOM 155 O SER A 14 -9.949 -0.236 4.791 1.00 0.00 O ATOM 156 CB SER A 14 -11.434 -0.061 7.530 1.00 0.00 C ATOM 157 OG SER A 14 -11.713 1.100 8.309 1.00 0.00 O ATOM 0 H SER A 14 -9.658 1.767 6.471 1.00 0.00 H new ATOM 0 HA SER A 14 -9.473 -0.787 7.962 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.014 -0.027 6.608 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.754 -0.949 8.075 1.00 0.00 H new ATOM 0 HG SER A 14 -12.673 1.141 8.503 1.00 0.00 H new ATOM 163 N ILE A 15 -9.407 -2.136 5.890 1.00 0.00 N ATOM 164 CA ILE A 15 -9.199 -2.910 4.678 1.00 0.00 C ATOM 165 C ILE A 15 -10.553 -3.362 4.128 1.00 0.00 C ATOM 166 O ILE A 15 -11.298 -4.068 4.806 1.00 0.00 O ATOM 167 CB ILE A 15 -8.225 -4.061 4.938 1.00 0.00 C ATOM 168 CG1 ILE A 15 -6.794 -3.544 5.095 1.00 0.00 C ATOM 169 CG2 ILE A 15 -8.333 -5.127 3.846 1.00 0.00 C ATOM 170 CD1 ILE A 15 -5.847 -4.669 5.516 1.00 0.00 C ATOM 0 H ILE A 15 -9.255 -2.652 6.757 1.00 0.00 H new ATOM 0 HA ILE A 15 -8.732 -2.295 3.909 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.500 -4.535 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.455 -3.111 4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.771 -2.747 5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.630 -5.934 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.347 -5.525 3.826 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.098 -4.682 2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -4.836 -4.274 5.620 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.175 -5.083 6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.854 -5.453 4.759 1.00 0.00 H new ATOM 182 N LEU A 16 -10.831 -2.937 2.904 1.00 0.00 N ATOM 183 CA LEU A 16 -12.082 -3.289 2.255 1.00 0.00 C ATOM 184 C LEU A 16 -11.875 -4.544 1.405 1.00 0.00 C ATOM 185 O LEU A 16 -12.750 -5.406 1.341 1.00 0.00 O ATOM 186 CB LEU A 16 -12.632 -2.098 1.469 1.00 0.00 C ATOM 187 CG LEU A 16 -12.659 -0.760 2.210 1.00 0.00 C ATOM 188 CD1 LEU A 16 -12.950 0.394 1.249 1.00 0.00 C ATOM 189 CD2 LEU A 16 -13.651 -0.799 3.375 1.00 0.00 C ATOM 0 H LEU A 16 -10.211 -2.352 2.345 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.842 -3.529 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -12.035 -1.978 0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.647 -2.335 1.151 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.670 -0.584 2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.964 1.333 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.175 0.434 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -13.919 0.238 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -13.651 0.164 3.885 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -14.651 -1.008 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.359 -1.581 4.076 1.00 0.00 H new ATOM 201 N ALA A 17 -10.711 -4.607 0.774 1.00 0.00 N ATOM 202 CA ALA A 17 -10.378 -5.743 -0.070 1.00 0.00 C ATOM 203 C ALA A 17 -8.890 -6.064 0.079 1.00 0.00 C ATOM 204 O ALA A 17 -8.110 -5.221 0.522 1.00 0.00 O ATOM 205 CB ALA A 17 -10.766 -5.435 -1.517 1.00 0.00 C ATOM 0 H ALA A 17 -9.987 -3.890 0.830 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.938 -6.626 0.236 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.516 -6.287 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.837 -5.243 -1.573 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.221 -4.556 -1.861 1.00 0.00 H new ATOM 211 N THR A 18 -8.539 -7.284 -0.298 1.00 0.00 N ATOM 212 CA THR A 18 -7.158 -7.727 -0.212 1.00 0.00 C ATOM 213 C THR A 18 -6.794 -8.578 -1.430 1.00 0.00 C ATOM 214 O THR A 18 -7.558 -9.456 -1.829 1.00 0.00 O ATOM 215 CB THR A 18 -6.979 -8.462 1.118 1.00 0.00 C ATOM 216 OG1 THR A 18 -7.743 -9.655 0.961 1.00 0.00 O ATOM 217 CG2 THR A 18 -7.656 -7.737 2.283 1.00 0.00 C ATOM 0 H THR A 18 -9.188 -7.981 -0.664 1.00 0.00 H new ATOM 0 HA THR A 18 -6.470 -6.882 -0.228 1.00 0.00 H new ATOM 0 HB THR A 18 -5.916 -8.576 1.330 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.974 -9.774 0.016 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.499 -8.300 3.203 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.227 -6.741 2.390 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.725 -7.653 2.087 1.00 0.00 H new ATOM 225 N PHE A 19 -5.627 -8.289 -1.987 1.00 0.00 N ATOM 226 CA PHE A 19 -5.153 -9.016 -3.152 1.00 0.00 C ATOM 227 C PHE A 19 -3.628 -8.953 -3.254 1.00 0.00 C ATOM 228 O PHE A 19 -2.968 -8.376 -2.391 1.00 0.00 O ATOM 229 CB PHE A 19 -5.763 -8.340 -4.381 1.00 0.00 C ATOM 230 CG PHE A 19 -5.414 -6.856 -4.513 1.00 0.00 C ATOM 231 CD1 PHE A 19 -4.136 -6.480 -4.785 1.00 0.00 C ATOM 232 CD2 PHE A 19 -6.383 -5.914 -4.357 1.00 0.00 C ATOM 233 CE1 PHE A 19 -3.813 -5.102 -4.907 1.00 0.00 C ATOM 234 CE2 PHE A 19 -6.059 -4.537 -4.479 1.00 0.00 C ATOM 235 CZ PHE A 19 -4.781 -4.160 -4.752 1.00 0.00 C ATOM 0 H PHE A 19 -4.996 -7.561 -1.653 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.443 -10.064 -3.079 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.425 -8.863 -5.276 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.847 -8.445 -4.340 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.367 -7.228 -4.908 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.398 -6.213 -4.141 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.798 -4.803 -5.123 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.828 -3.789 -4.355 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.535 -3.113 -4.846 1.00 0.00 H new ATOM 245 N THR A 20 -3.112 -9.554 -4.316 1.00 0.00 N ATOM 246 CA THR A 20 -1.677 -9.573 -4.543 1.00 0.00 C ATOM 247 C THR A 20 -1.338 -8.903 -5.876 1.00 0.00 C ATOM 248 O THR A 20 -2.212 -8.719 -6.722 1.00 0.00 O ATOM 249 CB THR A 20 -1.204 -11.025 -4.454 1.00 0.00 C ATOM 250 OG1 THR A 20 -1.999 -11.587 -3.414 1.00 0.00 O ATOM 251 CG2 THR A 20 0.230 -11.143 -3.933 1.00 0.00 C ATOM 0 H THR A 20 -3.663 -10.032 -5.029 1.00 0.00 H new ATOM 0 HA THR A 20 -1.149 -8.997 -3.783 1.00 0.00 H new ATOM 0 HB THR A 20 -1.272 -11.489 -5.438 1.00 0.00 H new ATOM 0 HG1 THR A 20 -1.758 -12.529 -3.291 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.516 -12.194 -3.889 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.905 -10.611 -4.603 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.292 -10.709 -2.935 1.00 0.00 H new ATOM 259 N VAL A 21 -0.068 -8.558 -6.022 1.00 0.00 N ATOM 260 CA VAL A 21 0.397 -7.913 -7.238 1.00 0.00 C ATOM 261 C VAL A 21 1.673 -8.605 -7.722 1.00 0.00 C ATOM 262 O VAL A 21 2.341 -9.293 -6.951 1.00 0.00 O ATOM 263 CB VAL A 21 0.586 -6.414 -6.996 1.00 0.00 C ATOM 264 CG1 VAL A 21 -0.761 -5.688 -6.975 1.00 0.00 C ATOM 265 CG2 VAL A 21 1.366 -6.161 -5.704 1.00 0.00 C ATOM 0 H VAL A 21 0.654 -8.713 -5.318 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.346 -8.010 -8.029 1.00 0.00 H new ATOM 0 HB VAL A 21 1.170 -6.012 -7.824 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.598 -4.624 -6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.264 -5.827 -7.932 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.381 -6.095 -6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.486 -5.088 -5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.821 -6.585 -4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.348 -6.630 -5.774 1.00 0.00 H new ATOM 275 N THR A 22 1.973 -8.400 -8.996 1.00 0.00 N ATOM 276 CA THR A 22 3.156 -8.996 -9.592 1.00 0.00 C ATOM 277 C THR A 22 4.142 -7.908 -10.024 1.00 0.00 C ATOM 278 O THR A 22 3.739 -6.881 -10.568 1.00 0.00 O ATOM 279 CB THR A 22 2.704 -9.897 -10.742 1.00 0.00 C ATOM 280 OG1 THR A 22 1.703 -10.727 -10.160 1.00 0.00 O ATOM 281 CG2 THR A 22 3.793 -10.879 -11.180 1.00 0.00 C ATOM 0 H THR A 22 1.417 -7.829 -9.632 1.00 0.00 H new ATOM 0 HA THR A 22 3.694 -9.611 -8.871 1.00 0.00 H new ATOM 0 HB THR A 22 2.408 -9.280 -11.591 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.354 -11.342 -10.838 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.420 -11.494 -11.999 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.670 -10.325 -11.513 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.065 -11.518 -10.340 1.00 0.00 H new ATOM 289 N GLU A 23 5.414 -8.170 -9.765 1.00 0.00 N ATOM 290 CA GLU A 23 6.460 -7.226 -10.121 1.00 0.00 C ATOM 291 C GLU A 23 7.700 -7.971 -10.620 1.00 0.00 C ATOM 292 O GLU A 23 8.493 -8.468 -9.822 1.00 0.00 O ATOM 293 CB GLU A 23 6.805 -6.319 -8.938 1.00 0.00 C ATOM 294 CG GLU A 23 5.623 -5.417 -8.577 1.00 0.00 C ATOM 295 CD GLU A 23 6.086 -3.981 -8.323 1.00 0.00 C ATOM 296 OE1 GLU A 23 6.308 -3.270 -9.327 1.00 0.00 O ATOM 297 OE2 GLU A 23 6.209 -3.627 -7.130 1.00 0.00 O ATOM 0 H GLU A 23 5.745 -9.022 -9.313 1.00 0.00 H new ATOM 0 HA GLU A 23 6.092 -6.592 -10.928 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.079 -6.928 -8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.672 -5.707 -9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.892 -5.429 -9.385 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.124 -5.804 -7.689 1.00 0.00 H new ATOM 304 N GLY A 24 7.828 -8.025 -11.938 1.00 0.00 N ATOM 305 CA GLY A 24 8.958 -8.701 -12.552 1.00 0.00 C ATOM 306 C GLY A 24 8.716 -10.209 -12.637 1.00 0.00 C ATOM 307 O GLY A 24 8.902 -10.813 -13.691 1.00 0.00 O ATOM 0 H GLY A 24 7.168 -7.612 -12.597 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.127 -8.300 -13.551 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.861 -8.506 -11.973 1.00 0.00 H new ATOM 311 N LYS A 25 8.303 -10.773 -11.511 1.00 0.00 N ATOM 312 CA LYS A 25 8.033 -12.199 -11.444 1.00 0.00 C ATOM 313 C LYS A 25 7.459 -12.541 -10.068 1.00 0.00 C ATOM 314 O LYS A 25 6.532 -13.343 -9.960 1.00 0.00 O ATOM 315 CB LYS A 25 9.287 -12.999 -11.803 1.00 0.00 C ATOM 316 CG LYS A 25 8.928 -14.245 -12.616 1.00 0.00 C ATOM 317 CD LYS A 25 9.874 -14.415 -13.806 1.00 0.00 C ATOM 318 CE LYS A 25 9.180 -15.143 -14.959 1.00 0.00 C ATOM 319 NZ LYS A 25 9.451 -14.457 -16.242 1.00 0.00 N ATOM 0 H LYS A 25 8.149 -10.268 -10.638 1.00 0.00 H new ATOM 0 HA LYS A 25 7.281 -12.479 -12.182 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.971 -12.372 -12.375 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.809 -13.292 -10.892 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.979 -15.127 -11.978 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.901 -14.168 -12.972 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.219 -13.438 -14.143 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.756 -14.975 -13.496 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.531 -16.174 -15.010 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.106 -15.180 -14.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.973 -14.964 -17.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.095 -13.481 -16.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.476 -14.444 -16.419 1.00 0.00 H new ATOM 333 N LYS A 26 8.033 -11.916 -9.050 1.00 0.00 N ATOM 334 CA LYS A 26 7.590 -12.144 -7.686 1.00 0.00 C ATOM 335 C LYS A 26 6.126 -11.721 -7.552 1.00 0.00 C ATOM 336 O LYS A 26 5.558 -11.138 -8.474 1.00 0.00 O ATOM 337 CB LYS A 26 8.524 -11.447 -6.695 1.00 0.00 C ATOM 338 CG LYS A 26 8.986 -12.413 -5.602 1.00 0.00 C ATOM 339 CD LYS A 26 8.877 -11.769 -4.219 1.00 0.00 C ATOM 340 CE LYS A 26 7.414 -11.563 -3.823 1.00 0.00 C ATOM 341 NZ LYS A 26 7.320 -11.012 -2.453 1.00 0.00 N ATOM 0 H LYS A 26 8.801 -11.252 -9.143 1.00 0.00 H new ATOM 0 HA LYS A 26 7.639 -13.205 -7.443 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.390 -11.050 -7.224 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.011 -10.599 -6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.381 -13.319 -5.634 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.018 -12.711 -5.788 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.372 -12.400 -3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.396 -10.810 -4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.932 -10.885 -4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.880 -12.511 -3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.320 -10.878 -2.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.761 -11.673 -1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.813 -10.097 -2.412 1.00 0.00 H new ATOM 355 N LYS A 27 5.556 -12.032 -6.396 1.00 0.00 N ATOM 356 CA LYS A 27 4.169 -11.691 -6.130 1.00 0.00 C ATOM 357 C LYS A 27 4.068 -11.018 -4.760 1.00 0.00 C ATOM 358 O LYS A 27 4.033 -11.695 -3.733 1.00 0.00 O ATOM 359 CB LYS A 27 3.277 -12.925 -6.277 1.00 0.00 C ATOM 360 CG LYS A 27 3.763 -14.063 -5.377 1.00 0.00 C ATOM 361 CD LYS A 27 2.680 -14.472 -4.377 1.00 0.00 C ATOM 362 CE LYS A 27 3.298 -14.911 -3.048 1.00 0.00 C ATOM 363 NZ LYS A 27 2.298 -14.831 -1.960 1.00 0.00 N ATOM 0 H LYS A 27 6.030 -12.516 -5.634 1.00 0.00 H new ATOM 0 HA LYS A 27 3.805 -10.974 -6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.249 -12.668 -6.021 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.274 -13.254 -7.316 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.041 -14.921 -5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.659 -13.750 -4.841 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.002 -13.636 -4.208 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.085 -15.286 -4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.671 -15.932 -3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.153 -14.278 -2.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.734 -15.132 -1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.962 -13.851 -1.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.494 -15.453 -2.181 1.00 0.00 H new ATOM 377 N ILE A 28 4.023 -9.694 -4.788 1.00 0.00 N ATOM 378 CA ILE A 28 3.926 -8.922 -3.561 1.00 0.00 C ATOM 379 C ILE A 28 2.451 -8.704 -3.216 1.00 0.00 C ATOM 380 O ILE A 28 1.685 -8.204 -4.039 1.00 0.00 O ATOM 381 CB ILE A 28 4.729 -7.625 -3.679 1.00 0.00 C ATOM 382 CG1 ILE A 28 6.153 -7.904 -4.163 1.00 0.00 C ATOM 383 CG2 ILE A 28 4.713 -6.849 -2.361 1.00 0.00 C ATOM 384 CD1 ILE A 28 6.222 -7.907 -5.692 1.00 0.00 C ATOM 0 H ILE A 28 4.052 -9.136 -5.641 1.00 0.00 H new ATOM 0 HA ILE A 28 4.370 -9.470 -2.730 1.00 0.00 H new ATOM 0 HB ILE A 28 4.252 -6.995 -4.429 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.830 -7.148 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.490 -8.867 -3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 28 5.291 -5.931 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.685 -6.601 -2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.152 -7.461 -1.573 1.00 0.00 H new ATOM 0 HD11 ILE A 28 7.245 -8.108 -6.010 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.562 -8.681 -6.084 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.908 -6.935 -6.072 1.00 0.00 H new ATOM 396 N PRO A 29 2.089 -9.099 -1.967 1.00 0.00 N ATOM 397 CA PRO A 29 0.719 -8.951 -1.503 1.00 0.00 C ATOM 398 C PRO A 29 0.408 -7.491 -1.169 1.00 0.00 C ATOM 399 O PRO A 29 1.229 -6.799 -0.568 1.00 0.00 O ATOM 400 CB PRO A 29 0.611 -9.872 -0.299 1.00 0.00 C ATOM 401 CG PRO A 29 2.038 -10.144 0.148 1.00 0.00 C ATOM 402 CD PRO A 29 2.969 -9.694 -0.966 1.00 0.00 C ATOM 0 HA PRO A 29 -0.014 -9.222 -2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.034 -9.405 0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.101 -10.799 -0.561 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.258 -9.606 1.070 1.00 0.00 H new ATOM 0 HG3 PRO A 29 2.177 -11.205 0.357 1.00 0.00 H new ATOM 0 HD2 PRO A 29 3.701 -8.972 -0.603 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.527 -10.534 -1.379 1.00 0.00 H new ATOM 410 N VAL A 30 -0.780 -7.065 -1.573 1.00 0.00 N ATOM 411 CA VAL A 30 -1.209 -5.699 -1.325 1.00 0.00 C ATOM 412 C VAL A 30 -2.560 -5.717 -0.606 1.00 0.00 C ATOM 413 O VAL A 30 -3.348 -6.645 -0.782 1.00 0.00 O ATOM 414 CB VAL A 30 -1.241 -4.913 -2.637 1.00 0.00 C ATOM 415 CG1 VAL A 30 -1.944 -3.567 -2.453 1.00 0.00 C ATOM 416 CG2 VAL A 30 0.171 -4.723 -3.196 1.00 0.00 C ATOM 0 H VAL A 30 -1.459 -7.642 -2.070 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.500 -5.188 -0.674 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.813 -5.493 -3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.953 -3.029 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.969 -3.734 -2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.412 -2.978 -1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.121 -4.161 -4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.777 -4.175 -2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.622 -5.697 -3.383 1.00 0.00 H new ATOM 426 N ALA A 31 -2.786 -4.681 0.188 1.00 0.00 N ATOM 427 CA ALA A 31 -4.028 -4.566 0.934 1.00 0.00 C ATOM 428 C ALA A 31 -4.640 -3.185 0.687 1.00 0.00 C ATOM 429 O ALA A 31 -4.010 -2.165 0.961 1.00 0.00 O ATOM 430 CB ALA A 31 -3.759 -4.828 2.417 1.00 0.00 C ATOM 0 H ALA A 31 -2.130 -3.913 0.331 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.749 -5.311 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.690 -4.742 2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.353 -5.832 2.541 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.042 -4.097 2.791 1.00 0.00 H new ATOM 436 N ASP A 32 -5.860 -3.198 0.172 1.00 0.00 N ATOM 437 CA ASP A 32 -6.564 -1.960 -0.115 1.00 0.00 C ATOM 438 C ASP A 32 -7.424 -1.576 1.091 1.00 0.00 C ATOM 439 O ASP A 32 -8.270 -2.355 1.527 1.00 0.00 O ATOM 440 CB ASP A 32 -7.489 -2.119 -1.324 1.00 0.00 C ATOM 441 CG ASP A 32 -7.126 -1.255 -2.533 1.00 0.00 C ATOM 442 OD1 ASP A 32 -5.911 -1.051 -2.741 1.00 0.00 O ATOM 443 OD2 ASP A 32 -8.073 -0.818 -3.222 1.00 0.00 O ATOM 0 H ASP A 32 -6.379 -4.046 -0.054 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.821 -1.192 -0.328 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.486 -3.165 -1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.507 -1.879 -1.018 1.00 0.00 H new ATOM 448 N CYS A 33 -7.179 -0.376 1.595 1.00 0.00 N ATOM 449 CA CYS A 33 -7.920 0.120 2.742 1.00 0.00 C ATOM 450 C CYS A 33 -8.371 1.551 2.440 1.00 0.00 C ATOM 451 O CYS A 33 -7.703 2.273 1.701 1.00 0.00 O ATOM 452 CB CYS A 33 -7.094 0.041 4.027 1.00 0.00 C ATOM 453 SG CYS A 33 -5.361 0.520 3.687 1.00 0.00 S ATOM 0 H CYS A 33 -6.477 0.268 1.230 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.795 -0.508 2.912 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.520 0.699 4.784 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -7.128 -0.971 4.429 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.669 0.452 4.785 1.00 0.00 H new ATOM 459 N ARG A 34 -9.500 1.918 3.028 1.00 0.00 N ATOM 460 CA ARG A 34 -10.047 3.250 2.831 1.00 0.00 C ATOM 461 C ARG A 34 -9.958 4.057 4.127 1.00 0.00 C ATOM 462 O ARG A 34 -10.574 3.699 5.130 1.00 0.00 O ATOM 463 CB ARG A 34 -11.508 3.184 2.379 1.00 0.00 C ATOM 464 CG ARG A 34 -11.999 4.555 1.910 1.00 0.00 C ATOM 465 CD ARG A 34 -12.211 4.572 0.395 1.00 0.00 C ATOM 466 NE ARG A 34 -13.405 5.379 0.060 1.00 0.00 N ATOM 467 CZ ARG A 34 -14.666 4.964 0.237 1.00 0.00 C ATOM 468 NH1 ARG A 34 -14.906 3.748 0.747 1.00 0.00 N ATOM 469 NH2 ARG A 34 -15.688 5.764 -0.095 1.00 0.00 N ATOM 0 H ARG A 34 -10.051 1.317 3.641 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.459 3.738 2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.610 2.461 1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.131 2.832 3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -12.933 4.803 2.414 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.274 5.320 2.188 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.332 4.986 -0.099 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.335 3.554 0.025 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.259 6.310 -0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.128 3.139 1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -15.866 3.432 0.882 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.506 6.690 -0.483 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.648 5.447 0.040 1.00 0.00 H new ATOM 483 N VAL A 35 -9.185 5.132 4.065 1.00 0.00 N ATOM 484 CA VAL A 35 -9.007 5.993 5.222 1.00 0.00 C ATOM 485 C VAL A 35 -10.378 6.403 5.764 1.00 0.00 C ATOM 486 O VAL A 35 -11.209 6.928 5.025 1.00 0.00 O ATOM 487 CB VAL A 35 -8.128 7.190 4.853 1.00 0.00 C ATOM 488 CG1 VAL A 35 -7.850 8.064 6.077 1.00 0.00 C ATOM 489 CG2 VAL A 35 -6.823 6.731 4.199 1.00 0.00 C ATOM 0 H VAL A 35 -8.675 5.426 3.232 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.489 5.459 6.019 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.672 7.794 4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.223 8.907 5.787 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.792 8.434 6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.336 7.474 6.836 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.217 7.601 3.947 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.273 6.094 4.892 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.048 6.170 3.292 1.00 0.00 H new ATOM 499 N GLN A 36 -10.571 6.147 7.049 1.00 0.00 N ATOM 500 CA GLN A 36 -11.827 6.482 7.698 1.00 0.00 C ATOM 501 C GLN A 36 -11.649 7.707 8.598 1.00 0.00 C ATOM 502 O GLN A 36 -12.567 8.513 8.744 1.00 0.00 O ATOM 503 CB GLN A 36 -12.369 5.292 8.493 1.00 0.00 C ATOM 504 CG GLN A 36 -12.697 4.119 7.568 1.00 0.00 C ATOM 505 CD GLN A 36 -14.173 4.135 7.164 1.00 0.00 C ATOM 506 OE1 GLN A 36 -15.069 4.147 7.991 1.00 0.00 O ATOM 507 NE2 GLN A 36 -14.374 4.133 5.849 1.00 0.00 N ATOM 0 H GLN A 36 -9.879 5.711 7.658 1.00 0.00 H new ATOM 0 HA GLN A 36 -12.558 6.724 6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.634 4.980 9.235 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -13.264 5.591 9.038 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.072 4.168 6.677 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -12.464 3.180 8.069 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -13.578 4.123 5.211 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -15.324 4.142 5.478 1.00 0.00 H new ATOM 516 N LYS A 37 -10.462 7.808 9.178 1.00 0.00 N ATOM 517 CA LYS A 37 -10.152 8.921 10.059 1.00 0.00 C ATOM 518 C LYS A 37 -8.665 9.260 9.941 1.00 0.00 C ATOM 519 O LYS A 37 -7.820 8.367 9.914 1.00 0.00 O ATOM 520 CB LYS A 37 -10.600 8.612 11.489 1.00 0.00 C ATOM 521 CG LYS A 37 -12.126 8.534 11.581 1.00 0.00 C ATOM 522 CD LYS A 37 -12.570 8.107 12.981 1.00 0.00 C ATOM 523 CE LYS A 37 -13.124 9.298 13.767 1.00 0.00 C ATOM 524 NZ LYS A 37 -12.360 9.494 15.019 1.00 0.00 N ATOM 0 H LYS A 37 -9.703 7.137 9.055 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.707 9.810 9.760 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.164 7.668 11.815 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.230 9.384 12.164 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.558 9.505 11.339 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.502 7.825 10.844 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.332 7.331 12.904 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.726 7.673 13.518 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.071 10.200 13.157 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.176 9.131 13.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.749 10.306 15.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.432 8.639 15.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.361 9.675 14.792 1.00 0.00 H new ATOM 538 N GLY A 38 -8.390 10.555 9.873 1.00 0.00 N ATOM 539 CA GLY A 38 -7.020 11.024 9.758 1.00 0.00 C ATOM 540 C GLY A 38 -6.432 10.671 8.390 1.00 0.00 C ATOM 541 O GLY A 38 -7.171 10.446 7.432 1.00 0.00 O ATOM 0 H GLY A 38 -9.093 11.294 9.895 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.988 12.104 9.904 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.412 10.578 10.545 1.00 0.00 H new ATOM 545 N GLN A 39 -5.109 10.632 8.342 1.00 0.00 N ATOM 546 CA GLN A 39 -4.414 10.310 7.107 1.00 0.00 C ATOM 547 C GLN A 39 -3.308 9.287 7.372 1.00 0.00 C ATOM 548 O GLN A 39 -3.075 8.901 8.516 1.00 0.00 O ATOM 549 CB GLN A 39 -3.848 11.572 6.451 1.00 0.00 C ATOM 550 CG GLN A 39 -3.210 12.492 7.494 1.00 0.00 C ATOM 551 CD GLN A 39 -2.758 13.809 6.859 1.00 0.00 C ATOM 552 OE1 GLN A 39 -3.515 14.503 6.200 1.00 0.00 O ATOM 553 NE2 GLN A 39 -1.484 14.113 7.093 1.00 0.00 N ATOM 0 H GLN A 39 -4.499 10.818 9.138 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.131 9.870 6.414 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.106 11.295 5.702 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.644 12.104 5.930 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.925 12.695 8.291 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.356 11.992 7.951 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.905 13.488 7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.086 14.972 6.712 1.00 0.00 H new ATOM 562 N LEU A 40 -2.656 8.875 6.294 1.00 0.00 N ATOM 563 CA LEU A 40 -1.581 7.903 6.395 1.00 0.00 C ATOM 564 C LEU A 40 -0.274 8.545 5.926 1.00 0.00 C ATOM 565 O LEU A 40 -0.195 9.057 4.810 1.00 0.00 O ATOM 566 CB LEU A 40 -1.943 6.623 5.641 1.00 0.00 C ATOM 567 CG LEU A 40 -3.253 5.949 6.053 1.00 0.00 C ATOM 568 CD1 LEU A 40 -3.511 4.694 5.217 1.00 0.00 C ATOM 569 CD2 LEU A 40 -3.267 5.650 7.554 1.00 0.00 C ATOM 0 H LEU A 40 -2.852 9.197 5.346 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.435 7.603 7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.996 6.854 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.132 5.906 5.772 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.071 6.642 5.854 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.448 4.234 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.574 4.965 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.694 3.987 5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.209 5.171 7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.439 4.985 7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.163 6.581 8.111 1.00 0.00 H new ATOM 581 N GLU A 41 0.720 8.497 6.801 1.00 0.00 N ATOM 582 CA GLU A 41 2.019 9.068 6.490 1.00 0.00 C ATOM 583 C GLU A 41 3.032 7.957 6.204 1.00 0.00 C ATOM 584 O GLU A 41 3.323 7.138 7.074 1.00 0.00 O ATOM 585 CB GLU A 41 2.506 9.974 7.623 1.00 0.00 C ATOM 586 CG GLU A 41 1.454 11.029 7.971 1.00 0.00 C ATOM 587 CD GLU A 41 1.452 11.327 9.472 1.00 0.00 C ATOM 588 OE1 GLU A 41 0.879 10.501 10.214 1.00 0.00 O ATOM 589 OE2 GLU A 41 2.024 12.375 9.842 1.00 0.00 O ATOM 0 H GLU A 41 0.652 8.071 7.725 1.00 0.00 H new ATOM 0 HA GLU A 41 1.919 9.682 5.595 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.729 9.373 8.504 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.434 10.464 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.654 11.945 7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.468 10.680 7.665 1.00 0.00 H new ATOM 596 N ARG A 42 3.540 7.964 4.980 1.00 0.00 N ATOM 597 CA ARG A 42 4.514 6.968 4.568 1.00 0.00 C ATOM 598 C ARG A 42 5.826 7.160 5.331 1.00 0.00 C ATOM 599 O ARG A 42 6.827 7.583 4.754 1.00 0.00 O ATOM 600 CB ARG A 42 4.788 7.054 3.066 1.00 0.00 C ATOM 601 CG ARG A 42 4.595 5.692 2.394 1.00 0.00 C ATOM 602 CD ARG A 42 5.720 4.728 2.776 1.00 0.00 C ATOM 603 NE ARG A 42 7.034 5.335 2.466 1.00 0.00 N ATOM 604 CZ ARG A 42 8.211 4.784 2.790 1.00 0.00 C ATOM 605 NH1 ARG A 42 8.247 3.611 3.436 1.00 0.00 N ATOM 606 NH2 ARG A 42 9.353 5.407 2.469 1.00 0.00 N ATOM 0 H ARG A 42 3.295 8.644 4.260 1.00 0.00 H new ATOM 0 HA ARG A 42 4.099 5.986 4.794 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.119 7.785 2.612 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.806 7.405 2.898 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.634 5.270 2.688 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.570 5.817 1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.661 4.490 3.838 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.606 3.790 2.233 1.00 0.00 H new ATOM 0 HE ARG A 42 7.044 6.229 1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.378 3.137 3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.144 3.192 3.682 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.326 6.301 1.978 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.249 4.988 2.716 1.00 0.00 H new ATOM 620 N HIS A 43 5.779 6.842 6.616 1.00 0.00 N ATOM 621 CA HIS A 43 6.952 6.975 7.464 1.00 0.00 C ATOM 622 C HIS A 43 6.613 6.518 8.884 1.00 0.00 C ATOM 623 O HIS A 43 7.389 5.798 9.510 1.00 0.00 O ATOM 624 CB HIS A 43 7.498 8.403 7.415 1.00 0.00 C ATOM 625 CG HIS A 43 9.003 8.487 7.504 1.00 0.00 C ATOM 626 ND1 HIS A 43 9.747 7.723 8.386 1.00 0.00 N ATOM 627 CD2 HIS A 43 9.895 9.253 6.812 1.00 0.00 C ATOM 628 CE1 HIS A 43 11.027 8.023 8.224 1.00 0.00 C ATOM 629 NE2 HIS A 43 11.117 8.972 7.249 1.00 0.00 N ATOM 0 H HIS A 43 4.947 6.492 7.091 1.00 0.00 H new ATOM 0 HA HIS A 43 7.749 6.330 7.093 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.172 8.874 6.488 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.063 8.976 8.234 1.00 0.00 H new ATOM 0 HD1 HIS A 43 9.373 7.044 9.049 1.00 0.00 H new ATOM 0 HD2 HIS A 43 9.649 9.967 6.040 1.00 0.00 H new ATOM 0 HE1 HIS A 43 11.854 7.592 8.768 1.00 0.00 H new ATOM 637 N LYS A 44 5.452 6.955 9.351 1.00 0.00 N ATOM 638 CA LYS A 44 5.001 6.600 10.686 1.00 0.00 C ATOM 639 C LYS A 44 4.954 5.076 10.815 1.00 0.00 C ATOM 640 O LYS A 44 5.422 4.360 9.931 1.00 0.00 O ATOM 641 CB LYS A 44 3.670 7.285 11.001 1.00 0.00 C ATOM 642 CG LYS A 44 3.784 8.803 10.845 1.00 0.00 C ATOM 643 CD LYS A 44 4.249 9.455 12.148 1.00 0.00 C ATOM 644 CE LYS A 44 4.443 10.962 11.968 1.00 0.00 C ATOM 645 NZ LYS A 44 5.866 11.327 12.151 1.00 0.00 N ATOM 0 H LYS A 44 4.810 7.552 8.829 1.00 0.00 H new ATOM 0 HA LYS A 44 5.705 6.962 11.435 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.895 6.905 10.336 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.364 7.042 12.019 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.487 9.038 10.046 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.818 9.216 10.552 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.516 9.270 12.933 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.185 9.000 12.473 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.110 11.261 10.974 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.827 11.502 12.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.980 12.353 12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.173 11.059 13.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.446 10.826 11.448 1.00 0.00 H new ATOM 659 N LYS A 45 4.386 4.625 11.924 1.00 0.00 N ATOM 660 CA LYS A 45 4.272 3.200 12.180 1.00 0.00 C ATOM 661 C LYS A 45 2.871 2.725 11.786 1.00 0.00 C ATOM 662 O LYS A 45 1.968 3.538 11.594 1.00 0.00 O ATOM 663 CB LYS A 45 4.642 2.885 13.631 1.00 0.00 C ATOM 664 CG LYS A 45 6.133 3.125 13.880 1.00 0.00 C ATOM 665 CD LYS A 45 6.472 4.614 13.784 1.00 0.00 C ATOM 666 CE LYS A 45 7.797 4.921 14.485 1.00 0.00 C ATOM 667 NZ LYS A 45 8.933 4.384 13.703 1.00 0.00 N ATOM 0 H LYS A 45 4.000 5.222 12.655 1.00 0.00 H new ATOM 0 HA LYS A 45 4.982 2.645 11.566 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.052 3.507 14.304 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.394 1.848 13.857 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.406 2.749 14.866 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.721 2.567 13.152 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.533 4.910 12.737 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.673 5.202 14.235 1.00 0.00 H new ATOM 0 HE2 LYS A 45 7.909 5.998 14.608 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.797 4.485 15.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.825 4.601 14.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.832 3.353 13.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.941 4.820 12.759 1.00 0.00 H new ATOM 681 N PHE A 46 2.735 1.412 11.678 1.00 0.00 N ATOM 682 CA PHE A 46 1.460 0.820 11.311 1.00 0.00 C ATOM 683 C PHE A 46 1.316 -0.583 11.904 1.00 0.00 C ATOM 684 O PHE A 46 2.308 -1.210 12.273 1.00 0.00 O ATOM 685 CB PHE A 46 1.436 0.720 9.784 1.00 0.00 C ATOM 686 CG PHE A 46 1.575 2.066 9.070 1.00 0.00 C ATOM 687 CD1 PHE A 46 2.779 2.697 9.038 1.00 0.00 C ATOM 688 CD2 PHE A 46 0.495 2.630 8.467 1.00 0.00 C ATOM 689 CE1 PHE A 46 2.908 3.946 8.375 1.00 0.00 C ATOM 690 CE2 PHE A 46 0.624 3.880 7.805 1.00 0.00 C ATOM 691 CZ PHE A 46 1.828 4.511 7.772 1.00 0.00 C ATOM 0 H PHE A 46 3.487 0.741 11.838 1.00 0.00 H new ATOM 0 HA PHE A 46 0.642 1.432 11.692 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.244 0.064 9.460 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.501 0.251 9.475 1.00 0.00 H new ATOM 0 HD1 PHE A 46 3.637 2.248 9.517 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.461 2.128 8.491 1.00 0.00 H new ATOM 0 HE1 PHE A 46 3.864 4.447 8.350 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.234 4.329 7.328 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.927 5.461 7.267 1.00 0.00 H new ATOM 701 N LYS A 47 0.072 -1.034 11.978 1.00 0.00 N ATOM 702 CA LYS A 47 -0.215 -2.351 12.521 1.00 0.00 C ATOM 703 C LYS A 47 -1.476 -2.908 11.858 1.00 0.00 C ATOM 704 O LYS A 47 -2.444 -2.178 11.645 1.00 0.00 O ATOM 705 CB LYS A 47 -0.296 -2.296 14.048 1.00 0.00 C ATOM 706 CG LYS A 47 -0.883 -0.963 14.517 1.00 0.00 C ATOM 707 CD LYS A 47 -1.191 -0.997 16.016 1.00 0.00 C ATOM 708 CE LYS A 47 -1.518 0.403 16.540 1.00 0.00 C ATOM 709 NZ LYS A 47 -1.177 0.510 17.977 1.00 0.00 N ATOM 0 H LYS A 47 -0.748 -0.511 11.671 1.00 0.00 H new ATOM 0 HA LYS A 47 0.597 -3.042 12.293 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.912 -3.118 14.413 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.698 -2.430 14.474 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.180 -0.157 14.305 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.794 -0.747 13.960 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.032 -1.665 16.203 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.336 -1.401 16.558 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.963 1.150 15.972 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.577 0.614 16.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.953 0.981 18.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.033 -0.441 18.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.305 1.065 18.086 1.00 0.00 H new ATOM 723 N LEU A 48 -1.425 -4.195 11.549 1.00 0.00 N ATOM 724 CA LEU A 48 -2.552 -4.858 10.914 1.00 0.00 C ATOM 725 C LEU A 48 -3.288 -5.708 11.951 1.00 0.00 C ATOM 726 O LEU A 48 -2.841 -6.802 12.292 1.00 0.00 O ATOM 727 CB LEU A 48 -2.088 -5.647 9.688 1.00 0.00 C ATOM 728 CG LEU A 48 -3.163 -6.469 8.974 1.00 0.00 C ATOM 729 CD1 LEU A 48 -4.130 -5.562 8.211 1.00 0.00 C ATOM 730 CD2 LEU A 48 -2.531 -7.526 8.066 1.00 0.00 C ATOM 0 H LEU A 48 -0.621 -4.797 11.726 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.265 -4.124 10.540 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.658 -4.947 8.971 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.288 -6.320 9.995 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.746 -6.998 9.728 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.884 -6.171 7.713 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.617 -4.881 8.909 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.579 -4.987 7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.316 -8.096 7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.909 -7.037 7.316 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.916 -8.199 8.664 1.00 0.00 H new ATOM 742 N ILE A 49 -4.405 -5.174 12.423 1.00 0.00 N ATOM 743 CA ILE A 49 -5.207 -5.870 13.414 1.00 0.00 C ATOM 744 C ILE A 49 -6.224 -6.766 12.703 1.00 0.00 C ATOM 745 O ILE A 49 -7.081 -6.276 11.969 1.00 0.00 O ATOM 746 CB ILE A 49 -5.840 -4.874 14.388 1.00 0.00 C ATOM 747 CG1 ILE A 49 -4.864 -4.507 15.508 1.00 0.00 C ATOM 748 CG2 ILE A 49 -7.166 -5.408 14.934 1.00 0.00 C ATOM 749 CD1 ILE A 49 -3.779 -3.557 15.000 1.00 0.00 C ATOM 0 H ILE A 49 -4.773 -4.267 12.137 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.579 -6.520 14.023 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.063 -3.957 13.842 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.407 -4.039 16.329 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.403 -5.412 15.905 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.595 -4.681 15.624 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.858 -5.577 14.109 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.991 -6.347 15.459 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.099 -3.312 15.816 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.222 -4.037 14.195 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.241 -2.643 14.626 1.00 0.00 H new ATOM 761 N ARG A 50 -6.095 -8.062 12.946 1.00 0.00 N ATOM 762 CA ARG A 50 -6.992 -9.030 12.338 1.00 0.00 C ATOM 763 C ARG A 50 -7.759 -9.795 13.419 1.00 0.00 C ATOM 764 O ARG A 50 -7.175 -10.594 14.151 1.00 0.00 O ATOM 765 CB ARG A 50 -6.222 -10.024 11.468 1.00 0.00 C ATOM 766 CG ARG A 50 -7.167 -10.785 10.536 1.00 0.00 C ATOM 767 CD ARG A 50 -6.634 -12.189 10.242 1.00 0.00 C ATOM 768 NE ARG A 50 -5.926 -12.199 8.942 1.00 0.00 N ATOM 769 CZ ARG A 50 -5.125 -13.192 8.530 1.00 0.00 C ATOM 770 NH1 ARG A 50 -4.925 -14.260 9.314 1.00 0.00 N ATOM 771 NH2 ARG A 50 -4.525 -13.116 7.335 1.00 0.00 N ATOM 0 H ARG A 50 -5.383 -8.464 13.556 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.694 -8.482 11.709 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.474 -9.493 10.879 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.686 -10.729 12.103 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -8.155 -10.855 10.992 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -7.285 -10.234 9.603 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -5.957 -12.504 11.036 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.457 -12.903 10.223 1.00 0.00 H new ATOM 0 HE ARG A 50 -6.056 -11.400 8.321 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.382 -14.317 10.224 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.316 -15.016 9.001 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.677 -12.303 6.739 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -3.916 -13.871 7.021 1.00 0.00 H new ATOM 785 N ASN A 51 -9.054 -9.525 13.485 1.00 0.00 N ATOM 786 CA ASN A 51 -9.906 -10.178 14.464 1.00 0.00 C ATOM 787 C ASN A 51 -9.898 -9.368 15.762 1.00 0.00 C ATOM 788 O ASN A 51 -10.917 -9.271 16.444 1.00 0.00 O ATOM 789 CB ASN A 51 -9.399 -11.586 14.783 1.00 0.00 C ATOM 790 CG ASN A 51 -10.557 -12.513 15.159 1.00 0.00 C ATOM 791 OD1 ASN A 51 -11.632 -12.082 15.542 1.00 0.00 O ATOM 792 ND2 ASN A 51 -10.278 -13.807 15.028 1.00 0.00 N ATOM 0 H ASN A 51 -9.534 -8.863 12.876 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.911 -10.242 14.047 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.870 -11.990 13.920 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.683 -11.541 15.603 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.985 -14.507 15.254 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -9.357 -14.100 14.702 1.00 0.00 H new ATOM 799 N GLY A 52 -8.737 -8.806 16.065 1.00 0.00 N ATOM 800 CA GLY A 52 -8.583 -8.007 17.269 1.00 0.00 C ATOM 801 C GLY A 52 -7.106 -7.833 17.626 1.00 0.00 C ATOM 802 O GLY A 52 -6.729 -6.851 18.264 1.00 0.00 O ATOM 0 H GLY A 52 -7.894 -8.888 15.497 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -9.043 -7.030 17.123 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.107 -8.485 18.097 1.00 0.00 H new ATOM 806 N GLN A 53 -6.309 -8.802 17.200 1.00 0.00 N ATOM 807 CA GLN A 53 -4.881 -8.769 17.468 1.00 0.00 C ATOM 808 C GLN A 53 -4.111 -8.412 16.194 1.00 0.00 C ATOM 809 O GLN A 53 -4.556 -8.718 15.089 1.00 0.00 O ATOM 810 CB GLN A 53 -4.400 -10.102 18.044 1.00 0.00 C ATOM 811 CG GLN A 53 -4.187 -11.134 16.935 1.00 0.00 C ATOM 812 CD GLN A 53 -4.050 -12.543 17.517 1.00 0.00 C ATOM 813 OE1 GLN A 53 -4.886 -13.016 18.269 1.00 0.00 O ATOM 814 NE2 GLN A 53 -2.952 -13.184 17.128 1.00 0.00 N ATOM 0 H GLN A 53 -6.625 -9.615 16.671 1.00 0.00 H new ATOM 0 HA GLN A 53 -4.688 -7.998 18.214 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.468 -9.951 18.589 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.131 -10.478 18.760 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.025 -11.104 16.239 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -3.292 -10.883 16.366 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.293 -12.729 16.496 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.769 -14.130 17.461 1.00 0.00 H new ATOM 823 N VAL A 54 -2.968 -7.771 16.392 1.00 0.00 N ATOM 824 CA VAL A 54 -2.132 -7.370 15.274 1.00 0.00 C ATOM 825 C VAL A 54 -1.253 -8.549 14.851 1.00 0.00 C ATOM 826 O VAL A 54 -0.860 -9.364 15.684 1.00 0.00 O ATOM 827 CB VAL A 54 -1.324 -6.125 15.645 1.00 0.00 C ATOM 828 CG1 VAL A 54 -0.785 -6.227 17.073 1.00 0.00 C ATOM 829 CG2 VAL A 54 -0.189 -5.890 14.646 1.00 0.00 C ATOM 0 H VAL A 54 -2.602 -7.520 17.310 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.747 -7.099 14.416 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.993 -5.266 15.600 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.214 -5.329 17.312 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.617 -6.324 17.770 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.139 -7.101 17.156 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.370 -4.999 14.933 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.478 -6.752 14.644 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.605 -5.752 13.648 1.00 0.00 H new ATOM 839 N ILE A 55 -0.971 -8.601 13.558 1.00 0.00 N ATOM 840 CA ILE A 55 -0.146 -9.667 13.014 1.00 0.00 C ATOM 841 C ILE A 55 1.176 -9.079 12.516 1.00 0.00 C ATOM 842 O ILE A 55 2.212 -9.739 12.573 1.00 0.00 O ATOM 843 CB ILE A 55 -0.914 -10.447 11.945 1.00 0.00 C ATOM 844 CG1 ILE A 55 -1.848 -9.524 11.158 1.00 0.00 C ATOM 845 CG2 ILE A 55 -1.663 -11.630 12.561 1.00 0.00 C ATOM 846 CD1 ILE A 55 -3.212 -9.414 11.841 1.00 0.00 C ATOM 0 H ILE A 55 -1.299 -7.922 12.871 1.00 0.00 H new ATOM 0 HA ILE A 55 0.099 -10.392 13.790 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.193 -10.856 11.237 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.399 -8.534 11.072 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.974 -9.906 10.145 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.200 -12.167 11.779 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.951 -12.302 13.039 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.372 -11.265 13.304 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.857 -8.753 11.262 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.668 -10.402 11.904 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.085 -9.009 12.845 1.00 0.00 H new ATOM 858 N TRP A 56 1.096 -7.845 12.040 1.00 0.00 N ATOM 859 CA TRP A 56 2.273 -7.161 11.533 1.00 0.00 C ATOM 860 C TRP A 56 2.333 -5.778 12.183 1.00 0.00 C ATOM 861 O TRP A 56 1.328 -5.071 12.241 1.00 0.00 O ATOM 862 CB TRP A 56 2.257 -7.103 10.004 1.00 0.00 C ATOM 863 CG TRP A 56 3.396 -6.279 9.401 1.00 0.00 C ATOM 864 CD1 TRP A 56 4.616 -6.699 9.038 1.00 0.00 C ATOM 865 CD2 TRP A 56 3.372 -4.867 9.103 1.00 0.00 C ATOM 866 NE1 TRP A 56 5.377 -5.665 8.530 1.00 0.00 N ATOM 867 CE2 TRP A 56 4.596 -4.516 8.571 1.00 0.00 C ATOM 868 CE3 TRP A 56 2.350 -3.918 9.278 1.00 0.00 C ATOM 869 CZ2 TRP A 56 4.912 -3.212 8.170 1.00 0.00 C ATOM 870 CZ3 TRP A 56 2.681 -2.620 8.872 1.00 0.00 C ATOM 871 CH2 TRP A 56 3.909 -2.250 8.335 1.00 0.00 C ATOM 0 H TRP A 56 0.234 -7.301 11.995 1.00 0.00 H new ATOM 0 HA TRP A 56 3.179 -7.708 11.794 1.00 0.00 H new ATOM 0 HB2 TRP A 56 2.310 -8.119 9.612 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.306 -6.684 9.676 1.00 0.00 H new ATOM 0 HD1 TRP A 56 4.961 -7.718 9.131 1.00 0.00 H new ATOM 0 HE1 TRP A 56 6.336 -5.732 8.188 1.00 0.00 H new ATOM 0 HE3 TRP A 56 1.385 -4.170 9.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 5.878 -2.962 7.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.930 -1.852 8.984 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.088 -1.225 8.046 1.00 0.00 H new ATOM 882 N LYS A 57 3.521 -5.432 12.657 1.00 0.00 N ATOM 883 CA LYS A 57 3.725 -4.146 13.301 1.00 0.00 C ATOM 884 C LYS A 57 5.025 -3.523 12.786 1.00 0.00 C ATOM 885 O LYS A 57 6.074 -4.165 12.803 1.00 0.00 O ATOM 886 CB LYS A 57 3.675 -4.295 14.823 1.00 0.00 C ATOM 887 CG LYS A 57 4.597 -5.421 15.294 1.00 0.00 C ATOM 888 CD LYS A 57 3.813 -6.484 16.067 1.00 0.00 C ATOM 889 CE LYS A 57 3.358 -7.612 15.139 1.00 0.00 C ATOM 890 NZ LYS A 57 3.280 -8.892 15.879 1.00 0.00 N ATOM 0 H LYS A 57 4.353 -6.021 12.608 1.00 0.00 H new ATOM 0 HA LYS A 57 2.918 -3.459 13.045 1.00 0.00 H new ATOM 0 HB2 LYS A 57 3.970 -3.357 15.294 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.652 -4.502 15.138 1.00 0.00 H new ATOM 0 HG2 LYS A 57 5.087 -5.879 14.434 1.00 0.00 H new ATOM 0 HG3 LYS A 57 5.383 -5.011 15.928 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.435 -6.892 16.864 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.945 -6.027 16.543 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.384 -7.371 14.714 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.054 -7.709 14.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.970 -9.647 15.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.217 -9.128 16.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.598 -8.801 16.659 1.00 0.00 H new ATOM 904 N GLY A 58 4.913 -2.281 12.341 1.00 0.00 N ATOM 905 CA GLY A 58 6.066 -1.564 11.823 1.00 0.00 C ATOM 906 C GLY A 58 5.645 -0.533 10.775 1.00 0.00 C ATOM 907 O GLY A 58 4.481 -0.138 10.719 1.00 0.00 O ATOM 0 H GLY A 58 4.041 -1.752 12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.586 -1.065 12.641 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.770 -2.270 11.382 1.00 0.00 H new ATOM 911 N SER A 59 6.615 -0.125 9.969 1.00 0.00 N ATOM 912 CA SER A 59 6.359 0.853 8.925 1.00 0.00 C ATOM 913 C SER A 59 6.161 0.146 7.583 1.00 0.00 C ATOM 914 O SER A 59 6.719 -0.926 7.353 1.00 0.00 O ATOM 915 CB SER A 59 7.502 1.866 8.828 1.00 0.00 C ATOM 916 OG SER A 59 8.747 1.306 9.234 1.00 0.00 O ATOM 0 H SER A 59 7.579 -0.454 10.018 1.00 0.00 H new ATOM 0 HA SER A 59 5.449 1.396 9.180 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.583 2.224 7.802 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.273 2.731 9.450 1.00 0.00 H new ATOM 0 HG SER A 59 9.451 1.983 9.156 1.00 0.00 H new ATOM 922 N LEU A 60 5.364 0.775 6.731 1.00 0.00 N ATOM 923 CA LEU A 60 5.086 0.220 5.418 1.00 0.00 C ATOM 924 C LEU A 60 6.330 0.355 4.537 1.00 0.00 C ATOM 925 O LEU A 60 7.203 1.176 4.812 1.00 0.00 O ATOM 926 CB LEU A 60 3.835 0.864 4.818 1.00 0.00 C ATOM 927 CG LEU A 60 2.605 0.916 5.727 1.00 0.00 C ATOM 928 CD1 LEU A 60 1.699 2.092 5.358 1.00 0.00 C ATOM 929 CD2 LEU A 60 1.852 -0.416 5.707 1.00 0.00 C ATOM 0 H LEU A 60 4.902 1.664 6.925 1.00 0.00 H new ATOM 0 HA LEU A 60 4.863 -0.844 5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.083 1.882 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.570 0.320 3.912 1.00 0.00 H new ATOM 0 HG LEU A 60 2.943 1.080 6.750 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.833 2.105 6.019 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.252 3.025 5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.366 1.985 4.326 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.982 -0.352 6.361 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.526 -0.634 4.690 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.511 -1.212 6.056 1.00 0.00 H new ATOM 941 N THR A 61 6.370 -0.463 3.496 1.00 0.00 N ATOM 942 CA THR A 61 7.492 -0.445 2.573 1.00 0.00 C ATOM 943 C THR A 61 7.117 0.301 1.291 1.00 0.00 C ATOM 944 O THR A 61 7.986 0.639 0.489 1.00 0.00 O ATOM 945 CB THR A 61 7.927 -1.892 2.329 1.00 0.00 C ATOM 946 OG1 THR A 61 6.796 -2.494 1.705 1.00 0.00 O ATOM 947 CG2 THR A 61 8.098 -2.679 3.630 1.00 0.00 C ATOM 0 H THR A 61 5.643 -1.143 3.271 1.00 0.00 H new ATOM 0 HA THR A 61 8.339 0.098 2.991 1.00 0.00 H new ATOM 0 HB THR A 61 8.865 -1.900 1.774 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.096 -2.647 2.374 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.407 -3.699 3.400 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.857 -2.200 4.248 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.151 -2.700 4.170 1.00 0.00 H new ATOM 955 N SER A 62 5.822 0.536 1.139 1.00 0.00 N ATOM 956 CA SER A 62 5.321 1.237 -0.031 1.00 0.00 C ATOM 957 C SER A 62 3.932 1.810 0.257 1.00 0.00 C ATOM 958 O SER A 62 3.307 1.460 1.257 1.00 0.00 O ATOM 959 CB SER A 62 5.272 0.310 -1.248 1.00 0.00 C ATOM 960 OG SER A 62 6.420 -0.529 -1.327 1.00 0.00 O ATOM 0 H SER A 62 5.105 0.253 1.807 1.00 0.00 H new ATOM 0 HA SER A 62 6.004 2.056 -0.259 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.375 -0.307 -1.198 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.197 0.908 -2.156 1.00 0.00 H new ATOM 0 HG SER A 62 7.206 -0.039 -1.006 1.00 0.00 H new ATOM 966 N LEU A 63 3.490 2.681 -0.638 1.00 0.00 N ATOM 967 CA LEU A 63 2.186 3.306 -0.493 1.00 0.00 C ATOM 968 C LEU A 63 1.908 4.186 -1.714 1.00 0.00 C ATOM 969 O LEU A 63 2.667 5.110 -2.003 1.00 0.00 O ATOM 970 CB LEU A 63 2.097 4.056 0.838 1.00 0.00 C ATOM 971 CG LEU A 63 0.807 4.842 1.080 1.00 0.00 C ATOM 972 CD1 LEU A 63 -0.321 3.917 1.543 1.00 0.00 C ATOM 973 CD2 LEU A 63 1.042 5.994 2.059 1.00 0.00 C ATOM 0 H LEU A 63 4.011 2.969 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 63 1.402 2.549 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.217 3.335 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.937 4.747 0.900 1.00 0.00 H new ATOM 0 HG LEU A 63 0.493 5.283 0.134 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.226 4.501 1.708 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.510 3.163 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.031 3.427 2.473 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.109 6.536 2.213 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.392 5.596 3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.792 6.671 1.651 1.00 0.00 H new ATOM 985 N LYS A 64 0.818 3.867 -2.397 1.00 0.00 N ATOM 986 CA LYS A 64 0.431 4.617 -3.579 1.00 0.00 C ATOM 987 C LYS A 64 -1.087 4.811 -3.580 1.00 0.00 C ATOM 988 O LYS A 64 -1.817 4.030 -2.971 1.00 0.00 O ATOM 989 CB LYS A 64 0.964 3.938 -4.842 1.00 0.00 C ATOM 990 CG LYS A 64 2.383 3.408 -4.623 1.00 0.00 C ATOM 991 CD LYS A 64 3.030 3.005 -5.949 1.00 0.00 C ATOM 992 CE LYS A 64 3.965 1.809 -5.762 1.00 0.00 C ATOM 993 NZ LYS A 64 4.376 1.262 -7.075 1.00 0.00 N ATOM 0 H LYS A 64 0.191 3.100 -2.154 1.00 0.00 H new ATOM 0 HA LYS A 64 0.880 5.610 -3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.305 3.117 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.961 4.647 -5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.989 4.172 -4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.354 2.549 -3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.256 2.756 -6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.589 3.848 -6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.846 2.113 -5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.464 1.036 -5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.010 0.451 -6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.534 0.953 -7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.873 1.997 -7.617 1.00 0.00 H new ATOM 1007 N HIS A 65 -1.517 5.857 -4.271 1.00 0.00 N ATOM 1008 CA HIS A 65 -2.935 6.163 -4.359 1.00 0.00 C ATOM 1009 C HIS A 65 -3.449 5.816 -5.757 1.00 0.00 C ATOM 1010 O HIS A 65 -4.271 6.539 -6.318 1.00 0.00 O ATOM 1011 CB HIS A 65 -3.200 7.620 -3.975 1.00 0.00 C ATOM 1012 CG HIS A 65 -4.612 8.081 -4.249 1.00 0.00 C ATOM 1013 ND1 HIS A 65 -5.724 7.326 -3.918 1.00 0.00 N ATOM 1014 CD2 HIS A 65 -5.081 9.225 -4.824 1.00 0.00 C ATOM 1015 CE1 HIS A 65 -6.807 7.995 -4.283 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -6.407 9.171 -4.845 1.00 0.00 N ATOM 0 H HIS A 65 -0.909 6.503 -4.775 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.488 5.553 -3.645 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.986 7.750 -2.914 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -2.507 8.261 -4.521 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -5.711 6.410 -3.469 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.476 10.037 -5.199 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -7.828 7.667 -4.157 1.00 0.00 H new ATOM 1075 N ASP A 69 2.568 7.858 -7.105 1.00 0.00 N ATOM 1076 CA ASP A 69 3.445 7.603 -5.974 1.00 0.00 C ATOM 1077 C ASP A 69 3.307 8.741 -4.961 1.00 0.00 C ATOM 1078 O ASP A 69 4.116 9.667 -4.949 1.00 0.00 O ATOM 1079 CB ASP A 69 4.908 7.537 -6.415 1.00 0.00 C ATOM 1080 CG ASP A 69 5.148 6.843 -7.758 1.00 0.00 C ATOM 1081 OD1 ASP A 69 4.587 7.335 -8.760 1.00 0.00 O ATOM 1082 OD2 ASP A 69 5.889 5.836 -7.751 1.00 0.00 O ATOM 0 HA ASP A 69 3.158 6.648 -5.534 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.301 8.552 -6.472 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.480 7.017 -5.647 1.00 0.00 H new ATOM 1087 N ILE A 70 2.276 8.634 -4.136 1.00 0.00 N ATOM 1088 CA ILE A 70 2.022 9.643 -3.121 1.00 0.00 C ATOM 1089 C ILE A 70 2.720 9.239 -1.821 1.00 0.00 C ATOM 1090 O ILE A 70 3.224 8.123 -1.703 1.00 0.00 O ATOM 1091 CB ILE A 70 0.518 9.879 -2.965 1.00 0.00 C ATOM 1092 CG1 ILE A 70 0.243 11.155 -2.167 1.00 0.00 C ATOM 1093 CG2 ILE A 70 -0.167 8.658 -2.347 1.00 0.00 C ATOM 1094 CD1 ILE A 70 -1.048 11.828 -2.637 1.00 0.00 C ATOM 0 H ILE A 70 1.607 7.864 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 70 2.442 10.602 -3.423 1.00 0.00 H new ATOM 0 HB ILE A 70 0.090 10.021 -3.957 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.167 10.916 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.079 11.846 -2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.235 8.852 -2.247 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.014 7.791 -2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.260 8.460 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.220 12.732 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.960 12.088 -3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.885 11.144 -2.501 1.00 0.00 H new ATOM 1106 N SER A 71 2.726 10.169 -0.877 1.00 0.00 N ATOM 1107 CA SER A 71 3.354 9.924 0.410 1.00 0.00 C ATOM 1108 C SER A 71 2.300 9.947 1.519 1.00 0.00 C ATOM 1109 O SER A 71 2.311 9.097 2.408 1.00 0.00 O ATOM 1110 CB SER A 71 4.447 10.956 0.696 1.00 0.00 C ATOM 1111 OG SER A 71 5.738 10.484 0.321 1.00 0.00 O ATOM 0 H SER A 71 2.306 11.093 -0.978 1.00 0.00 H new ATOM 0 HA SER A 71 3.821 8.939 0.380 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.227 11.877 0.156 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.445 11.201 1.758 1.00 0.00 H new ATOM 0 HG SER A 71 6.408 11.172 0.518 1.00 0.00 H new ATOM 1117 N VAL A 72 1.414 10.928 1.430 1.00 0.00 N ATOM 1118 CA VAL A 72 0.355 11.073 2.414 1.00 0.00 C ATOM 1119 C VAL A 72 -0.986 10.713 1.771 1.00 0.00 C ATOM 1120 O VAL A 72 -1.216 11.009 0.600 1.00 0.00 O ATOM 1121 CB VAL A 72 0.377 12.485 3.002 1.00 0.00 C ATOM 1122 CG1 VAL A 72 -0.997 12.869 3.556 1.00 0.00 C ATOM 1123 CG2 VAL A 72 1.458 12.615 4.077 1.00 0.00 C ATOM 0 H VAL A 72 1.408 11.631 0.691 1.00 0.00 H new ATOM 0 HA VAL A 72 0.510 10.387 3.246 1.00 0.00 H new ATOM 0 HB VAL A 72 0.620 13.179 2.198 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.954 13.877 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.735 12.836 2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.282 12.168 4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.452 13.628 4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.260 11.905 4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.434 12.404 3.639 1.00 0.00 H new ATOM 1133 N ILE A 73 -1.836 10.080 2.566 1.00 0.00 N ATOM 1134 CA ILE A 73 -3.148 9.677 2.089 1.00 0.00 C ATOM 1135 C ILE A 73 -4.225 10.336 2.953 1.00 0.00 C ATOM 1136 O ILE A 73 -4.316 10.067 4.150 1.00 0.00 O ATOM 1137 CB ILE A 73 -3.252 8.151 2.034 1.00 0.00 C ATOM 1138 CG1 ILE A 73 -2.272 7.571 1.013 1.00 0.00 C ATOM 1139 CG2 ILE A 73 -4.692 7.710 1.761 1.00 0.00 C ATOM 1140 CD1 ILE A 73 -2.688 7.932 -0.414 1.00 0.00 C ATOM 0 H ILE A 73 -1.642 9.836 3.537 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.304 10.022 1.067 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.972 7.754 3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.269 7.950 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.229 6.487 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.739 6.622 1.727 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.342 8.076 2.556 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.022 8.118 0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.974 7.507 -1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.681 7.530 -0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.706 9.016 -0.525 1.00 0.00 H new ATOM 1152 N LYS A 74 -5.013 11.187 2.313 1.00 0.00 N ATOM 1153 CA LYS A 74 -6.080 11.887 3.008 1.00 0.00 C ATOM 1154 C LYS A 74 -7.252 10.929 3.231 1.00 0.00 C ATOM 1155 O LYS A 74 -7.164 9.748 2.899 1.00 0.00 O ATOM 1156 CB LYS A 74 -6.463 13.163 2.255 1.00 0.00 C ATOM 1157 CG LYS A 74 -5.217 13.920 1.789 1.00 0.00 C ATOM 1158 CD LYS A 74 -5.595 15.258 1.151 1.00 0.00 C ATOM 1159 CE LYS A 74 -4.370 15.939 0.538 1.00 0.00 C ATOM 1160 NZ LYS A 74 -4.367 17.384 0.855 1.00 0.00 N ATOM 0 H LYS A 74 -4.934 11.408 1.320 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.744 12.214 3.992 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.082 12.910 1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.062 13.805 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.553 14.092 2.636 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.666 13.313 1.070 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.350 15.097 0.381 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.040 15.910 1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.460 15.475 0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.371 15.798 -0.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.529 17.831 0.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.226 17.826 0.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.344 17.513 1.887 1.00 0.00 H new ATOM 1174 N THR A 75 -8.321 11.474 3.791 1.00 0.00 N ATOM 1175 CA THR A 75 -9.510 10.683 4.062 1.00 0.00 C ATOM 1176 C THR A 75 -10.309 10.463 2.776 1.00 0.00 C ATOM 1177 O THR A 75 -10.244 11.275 1.854 1.00 0.00 O ATOM 1178 CB THR A 75 -10.308 11.389 5.160 1.00 0.00 C ATOM 1179 OG1 THR A 75 -9.347 11.636 6.183 1.00 0.00 O ATOM 1180 CG2 THR A 75 -11.331 10.466 5.826 1.00 0.00 C ATOM 0 H THR A 75 -8.389 12.454 4.065 1.00 0.00 H new ATOM 0 HA THR A 75 -9.249 9.687 4.420 1.00 0.00 H new ATOM 0 HB THR A 75 -10.820 12.254 4.738 1.00 0.00 H new ATOM 0 HG1 THR A 75 -8.746 10.866 6.260 1.00 0.00 H new ATOM 0 HG21 THR A 75 -11.870 11.016 6.597 1.00 0.00 H new ATOM 0 HG22 THR A 75 -12.037 10.105 5.078 1.00 0.00 H new ATOM 0 HG23 THR A 75 -10.816 9.618 6.278 1.00 0.00 H new ATOM 1188 N GLY A 76 -11.044 9.361 2.755 1.00 0.00 N ATOM 1189 CA GLY A 76 -11.854 9.024 1.597 1.00 0.00 C ATOM 1190 C GLY A 76 -10.975 8.676 0.395 1.00 0.00 C ATOM 1191 O GLY A 76 -11.470 8.544 -0.724 1.00 0.00 O ATOM 0 H GLY A 76 -11.096 8.690 3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.501 8.180 1.835 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.503 9.863 1.346 1.00 0.00 H new ATOM 1195 N MET A 77 -9.685 8.536 0.666 1.00 0.00 N ATOM 1196 CA MET A 77 -8.732 8.206 -0.380 1.00 0.00 C ATOM 1197 C MET A 77 -8.306 6.739 -0.291 1.00 0.00 C ATOM 1198 O MET A 77 -7.817 6.294 0.746 1.00 0.00 O ATOM 1199 CB MET A 77 -7.501 9.104 -0.251 1.00 0.00 C ATOM 1200 CG MET A 77 -7.867 10.573 -0.479 1.00 0.00 C ATOM 1201 SD MET A 77 -6.389 11.535 -0.754 1.00 0.00 S ATOM 1202 CE MET A 77 -5.842 10.827 -2.299 1.00 0.00 C ATOM 0 H MET A 77 -9.278 8.645 1.595 1.00 0.00 H new ATOM 0 HA MET A 77 -9.211 8.368 -1.346 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.062 8.985 0.739 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.745 8.797 -0.974 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.533 10.661 -1.337 1.00 0.00 H new ATOM 0 HG3 MET A 77 -8.407 10.960 0.385 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.067 11.458 -2.734 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.441 9.829 -2.120 1.00 0.00 H new ATOM 0 HE3 MET A 77 -6.684 10.761 -2.988 1.00 0.00 H new ATOM 1212 N ASP A 78 -8.508 6.029 -1.391 1.00 0.00 N ATOM 1213 CA ASP A 78 -8.151 4.622 -1.449 1.00 0.00 C ATOM 1214 C ASP A 78 -6.675 4.490 -1.832 1.00 0.00 C ATOM 1215 O ASP A 78 -6.216 5.128 -2.778 1.00 0.00 O ATOM 1216 CB ASP A 78 -8.980 3.887 -2.504 1.00 0.00 C ATOM 1217 CG ASP A 78 -10.434 4.347 -2.620 1.00 0.00 C ATOM 1218 OD1 ASP A 78 -10.628 5.528 -2.981 1.00 0.00 O ATOM 1219 OD2 ASP A 78 -11.319 3.508 -2.346 1.00 0.00 O ATOM 0 H ASP A 78 -8.914 6.402 -2.249 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.343 4.185 -0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.498 4.010 -3.474 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.969 2.821 -2.275 1.00 0.00 H new ATOM 1224 N CYS A 79 -5.973 3.659 -1.076 1.00 0.00 N ATOM 1225 CA CYS A 79 -4.559 3.435 -1.324 1.00 0.00 C ATOM 1226 C CYS A 79 -4.229 1.988 -0.953 1.00 0.00 C ATOM 1227 O CYS A 79 -4.927 1.376 -0.146 1.00 0.00 O ATOM 1228 CB CYS A 79 -3.686 4.434 -0.561 1.00 0.00 C ATOM 1229 SG CYS A 79 -4.128 4.422 1.215 1.00 0.00 S ATOM 0 H CYS A 79 -6.357 3.133 -0.291 1.00 0.00 H new ATOM 0 HA CYS A 79 -4.342 3.596 -2.380 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -2.634 4.178 -0.684 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.821 5.435 -0.971 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.269 3.700 1.871 1.00 0.00 H new ATOM 1235 N GLY A 80 -3.164 1.483 -1.559 1.00 0.00 N ATOM 1236 CA GLY A 80 -2.733 0.120 -1.302 1.00 0.00 C ATOM 1237 C GLY A 80 -1.314 0.092 -0.730 1.00 0.00 C ATOM 1238 O GLY A 80 -0.408 0.718 -1.278 1.00 0.00 O ATOM 0 H GLY A 80 -2.587 1.994 -2.227 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.420 -0.357 -0.603 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.768 -0.457 -2.226 1.00 0.00 H new ATOM 1242 N LEU A 81 -1.166 -0.641 0.364 1.00 0.00 N ATOM 1243 CA LEU A 81 0.127 -0.759 1.016 1.00 0.00 C ATOM 1244 C LEU A 81 0.578 -2.220 0.985 1.00 0.00 C ATOM 1245 O LEU A 81 -0.158 -3.091 0.522 1.00 0.00 O ATOM 1246 CB LEU A 81 0.073 -0.161 2.423 1.00 0.00 C ATOM 1247 CG LEU A 81 -0.997 -0.733 3.354 1.00 0.00 C ATOM 1248 CD1 LEU A 81 -0.442 -1.896 4.180 1.00 0.00 C ATOM 1249 CD2 LEU A 81 -1.597 0.362 4.238 1.00 0.00 C ATOM 0 H LEU A 81 -1.920 -1.159 0.815 1.00 0.00 H new ATOM 0 HA LEU A 81 0.879 -0.182 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.047 -0.300 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.088 0.913 2.334 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.805 -1.131 2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.224 -2.284 4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.102 -2.687 3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.395 -1.546 4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.355 -0.072 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.811 0.812 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.053 1.127 3.610 1.00 0.00 H new ATOM 1261 N SER A 82 1.785 -2.445 1.483 1.00 0.00 N ATOM 1262 CA SER A 82 2.342 -3.786 1.518 1.00 0.00 C ATOM 1263 C SER A 82 3.404 -3.883 2.616 1.00 0.00 C ATOM 1264 O SER A 82 4.197 -2.961 2.800 1.00 0.00 O ATOM 1265 CB SER A 82 2.942 -4.169 0.164 1.00 0.00 C ATOM 1266 OG SER A 82 3.698 -3.104 -0.405 1.00 0.00 O ATOM 0 H SER A 82 2.393 -1.721 1.866 1.00 0.00 H new ATOM 0 HA SER A 82 1.536 -4.486 1.738 1.00 0.00 H new ATOM 0 HB2 SER A 82 3.582 -5.043 0.285 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.142 -4.452 -0.520 1.00 0.00 H new ATOM 0 HG SER A 82 4.066 -3.388 -1.268 1.00 0.00 H new ATOM 1272 N LEU A 83 3.385 -5.008 3.316 1.00 0.00 N ATOM 1273 CA LEU A 83 4.336 -5.237 4.390 1.00 0.00 C ATOM 1274 C LEU A 83 5.543 -6.002 3.842 1.00 0.00 C ATOM 1275 O LEU A 83 5.393 -6.875 2.988 1.00 0.00 O ATOM 1276 CB LEU A 83 3.654 -5.929 5.571 1.00 0.00 C ATOM 1277 CG LEU A 83 2.151 -5.684 5.715 1.00 0.00 C ATOM 1278 CD1 LEU A 83 1.552 -6.573 6.807 1.00 0.00 C ATOM 1279 CD2 LEU A 83 1.857 -4.202 5.958 1.00 0.00 C ATOM 0 H LEU A 83 2.726 -5.771 3.160 1.00 0.00 H new ATOM 0 HA LEU A 83 4.708 -4.289 4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.820 -7.003 5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.144 -5.605 6.489 1.00 0.00 H new ATOM 0 HG LEU A 83 1.670 -5.958 4.776 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.483 -6.379 6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.712 -7.621 6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.034 -6.354 7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.781 -4.056 6.057 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.353 -3.878 6.873 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.227 -3.615 5.117 1.00 0.00 H new ATOM 1291 N ASP A 84 6.711 -5.647 4.356 1.00 0.00 N ATOM 1292 CA ASP A 84 7.943 -6.290 3.929 1.00 0.00 C ATOM 1293 C ASP A 84 7.822 -7.801 4.133 1.00 0.00 C ATOM 1294 O ASP A 84 8.481 -8.579 3.445 1.00 0.00 O ATOM 1295 CB ASP A 84 9.135 -5.796 4.750 1.00 0.00 C ATOM 1296 CG ASP A 84 9.068 -6.116 6.245 1.00 0.00 C ATOM 1297 OD1 ASP A 84 8.127 -5.610 6.892 1.00 0.00 O ATOM 1298 OD2 ASP A 84 9.960 -6.860 6.706 1.00 0.00 O ATOM 0 H ASP A 84 6.831 -4.923 5.064 1.00 0.00 H new ATOM 0 HA ASP A 84 8.103 -6.047 2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.045 -6.234 4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.218 -4.716 4.628 1.00 0.00 H new ATOM 1303 N GLU A 85 6.974 -8.172 5.082 1.00 0.00 N ATOM 1304 CA GLU A 85 6.758 -9.576 5.385 1.00 0.00 C ATOM 1305 C GLU A 85 5.556 -10.110 4.603 1.00 0.00 C ATOM 1306 O GLU A 85 4.422 -10.031 5.072 1.00 0.00 O ATOM 1307 CB GLU A 85 6.573 -9.790 6.889 1.00 0.00 C ATOM 1308 CG GLU A 85 6.849 -11.245 7.274 1.00 0.00 C ATOM 1309 CD GLU A 85 8.214 -11.383 7.951 1.00 0.00 C ATOM 1310 OE1 GLU A 85 8.376 -10.776 9.031 1.00 0.00 O ATOM 1311 OE2 GLU A 85 9.066 -12.092 7.372 1.00 0.00 O ATOM 0 H GLU A 85 6.429 -7.524 5.651 1.00 0.00 H new ATOM 0 HA GLU A 85 7.643 -10.134 5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.245 -9.131 7.439 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.557 -9.521 7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.068 -11.602 7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 85 6.815 -11.873 6.384 1.00 0.00 H new ATOM 1318 N GLU A 86 5.846 -10.641 3.424 1.00 0.00 N ATOM 1319 CA GLU A 86 4.803 -11.187 2.573 1.00 0.00 C ATOM 1320 C GLU A 86 4.036 -12.286 3.311 1.00 0.00 C ATOM 1321 O GLU A 86 2.915 -12.624 2.936 1.00 0.00 O ATOM 1322 CB GLU A 86 5.387 -11.713 1.260 1.00 0.00 C ATOM 1323 CG GLU A 86 6.400 -12.830 1.519 1.00 0.00 C ATOM 1324 CD GLU A 86 6.086 -14.063 0.668 1.00 0.00 C ATOM 1325 OE1 GLU A 86 5.718 -13.861 -0.509 1.00 0.00 O ATOM 1326 OE2 GLU A 86 6.222 -15.178 1.215 1.00 0.00 O ATOM 0 H GLU A 86 6.788 -10.705 3.038 1.00 0.00 H new ATOM 0 HA GLU A 86 4.105 -10.386 2.328 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.584 -12.086 0.624 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.869 -10.898 0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 86 7.405 -12.474 1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.387 -13.100 2.575 1.00 0.00 H new ATOM 1333 N LYS A 87 4.671 -12.812 4.348 1.00 0.00 N ATOM 1334 CA LYS A 87 4.063 -13.865 5.142 1.00 0.00 C ATOM 1335 C LYS A 87 2.727 -13.370 5.701 1.00 0.00 C ATOM 1336 O LYS A 87 1.737 -14.099 5.689 1.00 0.00 O ATOM 1337 CB LYS A 87 5.035 -14.356 6.217 1.00 0.00 C ATOM 1338 CG LYS A 87 5.717 -15.656 5.787 1.00 0.00 C ATOM 1339 CD LYS A 87 5.958 -16.572 6.989 1.00 0.00 C ATOM 1340 CE LYS A 87 6.680 -17.853 6.566 1.00 0.00 C ATOM 1341 NZ LYS A 87 7.219 -18.559 7.750 1.00 0.00 N ATOM 0 H LYS A 87 5.601 -12.528 4.657 1.00 0.00 H new ATOM 0 HA LYS A 87 3.847 -14.734 4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.788 -13.592 6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 87 4.498 -14.515 7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.098 -16.170 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.666 -15.430 5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.551 -16.047 7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.006 -16.824 7.455 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.991 -18.505 6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.491 -17.611 5.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.706 -19.426 7.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.892 -17.940 8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.439 -18.807 8.391 1.00 0.00 H new ATOM 1355 N VAL A 88 2.743 -12.134 6.176 1.00 0.00 N ATOM 1356 CA VAL A 88 1.546 -11.532 6.738 1.00 0.00 C ATOM 1357 C VAL A 88 0.515 -11.324 5.627 1.00 0.00 C ATOM 1358 O VAL A 88 0.848 -10.829 4.551 1.00 0.00 O ATOM 1359 CB VAL A 88 1.904 -10.238 7.471 1.00 0.00 C ATOM 1360 CG1 VAL A 88 0.693 -9.678 8.219 1.00 0.00 C ATOM 1361 CG2 VAL A 88 3.084 -10.454 8.421 1.00 0.00 C ATOM 0 H VAL A 88 3.567 -11.532 6.183 1.00 0.00 H new ATOM 0 HA VAL A 88 1.098 -12.195 7.478 1.00 0.00 H new ATOM 0 HB VAL A 88 2.205 -9.503 6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.975 -8.758 8.731 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.107 -9.467 7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.347 -10.409 8.950 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.318 -9.519 8.929 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.823 -11.213 9.159 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.953 -10.785 7.852 1.00 0.00 H new ATOM 1371 N GLU A 89 -0.716 -11.713 5.925 1.00 0.00 N ATOM 1372 CA GLU A 89 -1.797 -11.575 4.964 1.00 0.00 C ATOM 1373 C GLU A 89 -2.932 -10.738 5.558 1.00 0.00 C ATOM 1374 O GLU A 89 -3.248 -10.865 6.740 1.00 0.00 O ATOM 1375 CB GLU A 89 -2.306 -12.945 4.511 1.00 0.00 C ATOM 1376 CG GLU A 89 -3.711 -12.838 3.914 1.00 0.00 C ATOM 1377 CD GLU A 89 -4.200 -14.200 3.415 1.00 0.00 C ATOM 1378 OE1 GLU A 89 -4.381 -15.088 4.276 1.00 0.00 O ATOM 1379 OE2 GLU A 89 -4.381 -14.322 2.185 1.00 0.00 O ATOM 0 H GLU A 89 -0.989 -12.124 6.818 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.412 -11.058 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -1.624 -13.364 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.318 -13.631 5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.401 -12.453 4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -3.706 -12.125 3.090 1.00 0.00 H new ATOM 1386 N PHE A 90 -3.513 -9.901 4.712 1.00 0.00 N ATOM 1387 CA PHE A 90 -4.605 -9.043 5.138 1.00 0.00 C ATOM 1388 C PHE A 90 -5.959 -9.653 4.768 1.00 0.00 C ATOM 1389 O PHE A 90 -6.018 -10.648 4.047 1.00 0.00 O ATOM 1390 CB PHE A 90 -4.442 -7.711 4.403 1.00 0.00 C ATOM 1391 CG PHE A 90 -2.996 -7.383 4.026 1.00 0.00 C ATOM 1392 CD1 PHE A 90 -2.478 -7.840 2.854 1.00 0.00 C ATOM 1393 CD2 PHE A 90 -2.228 -6.633 4.862 1.00 0.00 C ATOM 1394 CE1 PHE A 90 -1.136 -7.535 2.503 1.00 0.00 C ATOM 1395 CE2 PHE A 90 -0.886 -6.328 4.511 1.00 0.00 C ATOM 1396 CZ PHE A 90 -0.369 -6.785 3.339 1.00 0.00 C ATOM 0 H PHE A 90 -3.248 -9.799 3.732 1.00 0.00 H new ATOM 0 HA PHE A 90 -4.577 -8.917 6.220 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.048 -7.731 3.497 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -4.834 -6.911 5.031 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.088 -8.435 2.190 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -2.639 -6.270 5.792 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.725 -7.898 1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.276 -5.733 5.175 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.651 -6.552 3.072 1.00 0.00 H new ATOM 1406 N LYS A 91 -7.012 -9.032 5.278 1.00 0.00 N ATOM 1407 CA LYS A 91 -8.360 -9.501 5.009 1.00 0.00 C ATOM 1408 C LYS A 91 -9.341 -8.337 5.162 1.00 0.00 C ATOM 1409 O LYS A 91 -9.030 -7.340 5.812 1.00 0.00 O ATOM 1410 CB LYS A 91 -8.694 -10.706 5.892 1.00 0.00 C ATOM 1411 CG LYS A 91 -7.989 -11.967 5.387 1.00 0.00 C ATOM 1412 CD LYS A 91 -8.643 -13.226 5.959 1.00 0.00 C ATOM 1413 CE LYS A 91 -8.533 -14.395 4.978 1.00 0.00 C ATOM 1414 NZ LYS A 91 -9.385 -14.157 3.791 1.00 0.00 N ATOM 0 H LYS A 91 -6.959 -8.208 5.876 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.442 -9.855 3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.393 -10.503 6.920 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.772 -10.867 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -8.025 -11.997 4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.937 -11.938 5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -8.165 -13.492 6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.692 -13.028 6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.495 -14.522 4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.834 -15.320 5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.656 -15.068 3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.241 -13.639 4.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.858 -13.596 3.092 1.00 0.00 H new ATOM 1428 N PRO A 92 -10.536 -8.506 4.536 1.00 0.00 N ATOM 1429 CA PRO A 92 -11.564 -7.481 4.596 1.00 0.00 C ATOM 1430 C PRO A 92 -12.245 -7.467 5.966 1.00 0.00 C ATOM 1431 O PRO A 92 -13.467 -7.570 6.057 1.00 0.00 O ATOM 1432 CB PRO A 92 -12.519 -7.815 3.462 1.00 0.00 C ATOM 1433 CG PRO A 92 -12.251 -9.267 3.105 1.00 0.00 C ATOM 1434 CD PRO A 92 -10.939 -9.673 3.757 1.00 0.00 C ATOM 0 HA PRO A 92 -11.162 -6.475 4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -13.555 -7.673 3.770 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -12.349 -7.164 2.604 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.064 -9.903 3.456 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.194 -9.390 2.023 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -11.067 -10.549 4.393 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -10.188 -9.929 3.010 1.00 0.00 H new ATOM 1442 N GLY A 93 -11.424 -7.338 6.998 1.00 0.00 N ATOM 1443 CA GLY A 93 -11.931 -7.309 8.359 1.00 0.00 C ATOM 1444 C GLY A 93 -10.803 -7.047 9.360 1.00 0.00 C ATOM 1445 O GLY A 93 -10.834 -7.551 10.481 1.00 0.00 O ATOM 0 H GLY A 93 -10.411 -7.252 6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.691 -6.533 8.451 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.414 -8.258 8.591 1.00 0.00 H new ATOM 1449 N ASP A 94 -9.835 -6.259 8.917 1.00 0.00 N ATOM 1450 CA ASP A 94 -8.699 -5.924 9.759 1.00 0.00 C ATOM 1451 C ASP A 94 -8.683 -4.414 10.008 1.00 0.00 C ATOM 1452 O ASP A 94 -9.627 -3.712 9.650 1.00 0.00 O ATOM 1453 CB ASP A 94 -7.380 -6.306 9.084 1.00 0.00 C ATOM 1454 CG ASP A 94 -7.289 -7.761 8.621 1.00 0.00 C ATOM 1455 OD1 ASP A 94 -8.355 -8.414 8.586 1.00 0.00 O ATOM 1456 OD2 ASP A 94 -6.155 -8.189 8.313 1.00 0.00 O ATOM 0 H ASP A 94 -9.814 -5.843 7.986 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.798 -6.476 10.694 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.229 -5.656 8.222 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -6.563 -6.110 9.779 1.00 0.00 H new ATOM 1461 N GLN A 95 -7.599 -3.959 10.619 1.00 0.00 N ATOM 1462 CA GLN A 95 -7.447 -2.546 10.920 1.00 0.00 C ATOM 1463 C GLN A 95 -6.006 -2.100 10.663 1.00 0.00 C ATOM 1464 O GLN A 95 -5.083 -2.911 10.716 1.00 0.00 O ATOM 1465 CB GLN A 95 -7.865 -2.244 12.361 1.00 0.00 C ATOM 1466 CG GLN A 95 -9.359 -1.925 12.442 1.00 0.00 C ATOM 1467 CD GLN A 95 -9.797 -1.718 13.894 1.00 0.00 C ATOM 1468 OE1 GLN A 95 -10.207 -2.638 14.583 1.00 0.00 O ATOM 1469 NE2 GLN A 95 -9.689 -0.462 14.318 1.00 0.00 N ATOM 0 H GLN A 95 -6.817 -4.544 10.914 1.00 0.00 H new ATOM 0 HA GLN A 95 -8.105 -1.981 10.259 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.637 -3.100 12.997 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -7.288 -1.401 12.742 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -9.575 -1.028 11.862 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -9.933 -2.738 11.998 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -9.338 0.260 13.689 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -9.957 -0.221 15.272 1.00 0.00 H new ATOM 1478 N VAL A 96 -5.859 -0.812 10.389 1.00 0.00 N ATOM 1479 CA VAL A 96 -4.546 -0.249 10.123 1.00 0.00 C ATOM 1480 C VAL A 96 -4.415 1.093 10.847 1.00 0.00 C ATOM 1481 O VAL A 96 -4.877 2.118 10.348 1.00 0.00 O ATOM 1482 CB VAL A 96 -4.319 -0.139 8.614 1.00 0.00 C ATOM 1483 CG1 VAL A 96 -3.102 0.734 8.305 1.00 0.00 C ATOM 1484 CG2 VAL A 96 -4.177 -1.524 7.979 1.00 0.00 C ATOM 0 H VAL A 96 -6.627 -0.142 10.345 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.765 -0.904 10.508 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.195 0.341 8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.963 0.796 7.226 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -3.260 1.734 8.708 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.214 0.295 8.761 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.017 -1.418 6.906 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.327 -2.043 8.423 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.086 -2.100 8.155 1.00 0.00 H new ATOM 1494 N ILE A 97 -3.784 1.043 12.010 1.00 0.00 N ATOM 1495 CA ILE A 97 -3.586 2.241 12.807 1.00 0.00 C ATOM 1496 C ILE A 97 -2.256 2.892 12.421 1.00 0.00 C ATOM 1497 O ILE A 97 -1.205 2.257 12.500 1.00 0.00 O ATOM 1498 CB ILE A 97 -3.704 1.919 14.298 1.00 0.00 C ATOM 1499 CG1 ILE A 97 -5.156 1.628 14.683 1.00 0.00 C ATOM 1500 CG2 ILE A 97 -3.098 3.036 15.150 1.00 0.00 C ATOM 1501 CD1 ILE A 97 -5.780 0.604 13.733 1.00 0.00 C ATOM 0 H ILE A 97 -3.403 0.190 12.420 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.370 2.970 12.600 1.00 0.00 H new ATOM 0 HB ILE A 97 -3.130 1.014 14.498 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.197 1.253 15.706 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.734 2.552 14.659 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.195 2.782 16.206 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.043 3.153 14.900 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -3.623 3.970 14.952 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.812 0.415 14.029 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.760 0.993 12.715 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.214 -0.326 13.778 1.00 0.00 H new ATOM 1513 N CYS A 98 -2.345 4.149 12.013 1.00 0.00 N ATOM 1514 CA CYS A 98 -1.162 4.892 11.615 1.00 0.00 C ATOM 1515 C CYS A 98 -0.832 5.899 12.720 1.00 0.00 C ATOM 1516 O CYS A 98 -1.406 6.986 12.765 1.00 0.00 O ATOM 1517 CB CYS A 98 -1.352 5.575 10.259 1.00 0.00 C ATOM 1518 SG CYS A 98 0.010 6.760 9.959 1.00 0.00 S ATOM 0 H CYS A 98 -3.218 4.672 11.949 1.00 0.00 H new ATOM 0 HA CYS A 98 -0.325 4.206 11.488 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -1.376 4.827 9.466 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -2.310 6.095 10.236 1.00 0.00 H new ATOM 0 HG CYS A 98 0.886 6.222 9.163 1.00 0.00 H new ATOM 1524 N TYR A 99 0.090 5.501 13.583 1.00 0.00 N ATOM 1525 CA TYR A 99 0.503 6.354 14.684 1.00 0.00 C ATOM 1526 C TYR A 99 2.019 6.298 14.884 1.00 0.00 C ATOM 1527 O TYR A 99 2.709 5.537 14.208 1.00 0.00 O ATOM 1528 CB TYR A 99 -0.185 5.795 15.932 1.00 0.00 C ATOM 1529 CG TYR A 99 0.531 4.593 16.551 1.00 0.00 C ATOM 1530 CD1 TYR A 99 0.499 3.369 15.916 1.00 0.00 C ATOM 1531 CD2 TYR A 99 1.208 4.734 17.746 1.00 0.00 C ATOM 1532 CE1 TYR A 99 1.173 2.238 16.499 1.00 0.00 C ATOM 1533 CE2 TYR A 99 1.882 3.603 18.329 1.00 0.00 C ATOM 1534 CZ TYR A 99 1.831 2.411 17.677 1.00 0.00 C ATOM 1535 OH TYR A 99 2.467 1.342 18.227 1.00 0.00 O ATOM 0 H TYR A 99 0.563 4.598 13.542 1.00 0.00 H new ATOM 0 HA TYR A 99 0.233 7.392 14.487 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.258 6.585 16.679 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.203 5.505 15.674 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.031 3.259 14.982 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.232 5.692 18.243 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.157 1.274 16.012 1.00 0.00 H new ATOM 0 HE2 TYR A 99 2.416 3.699 19.263 1.00 0.00 H new ATOM 0 HH TYR A 99 2.895 1.612 19.066 1.00 0.00 H new