USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 478 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 Single : A 16 GLN : amide:sc= -0.0263 X(o=-0.026,f=-0.2) USER MOD Single : A 18 GLN : amide:sc= -0.14 K(o=-0.14,f=-1.9!) USER MOD Single : A 21 MET CE :methyl -167:sc= -5.76! (180deg=-6.16!) USER MOD Single : A 22 GLN : amide:sc= -0.836 X(o=-0.84,f=-0.87) USER MOD Single : A 23 THR OG1 : rot -173:sc= -0.444 USER MOD Single : A 25 MET CE :methyl -161:sc= -5.28 (180deg=-6.47!) USER MOD Single : A 27 SER OG : rot -67:sc= -1.53 USER MOD Single : A 33 CYS SG : rot 178:sc= -0.128 USER MOD Single : A 36 HIS : no HD1:sc= -12.5! C(o=-13!,f=-15!) USER MOD Single : A 37 ASN : amide:sc=-0.00116 X(o=-0.0012,f=-0.031) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.444 X(o=-0.44,f=0) USER MOD Single : A 48 SER OG : rot 111:sc= 0.141 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 23:sc= 0.771 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -106:sc= 0.973 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.474 X(o=-0.47,f=0.0061) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot -15:sc= -3.2 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.339 USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 16 3.207 -3.447 -4.804 1.00 0.00 N ATOM 31 CA GLN A 16 4.100 -4.486 -5.288 1.00 0.00 C ATOM 32 C GLN A 16 4.530 -4.189 -6.726 1.00 0.00 C ATOM 33 O GLN A 16 5.709 -4.301 -7.061 1.00 0.00 O ATOM 34 CB GLN A 16 3.443 -5.864 -5.187 1.00 0.00 C ATOM 35 CG GLN A 16 4.491 -6.956 -4.964 1.00 0.00 C ATOM 36 CD GLN A 16 3.890 -8.148 -4.216 1.00 0.00 C ATOM 37 OE1 GLN A 16 3.274 -8.013 -3.172 1.00 0.00 O ATOM 38 NE2 GLN A 16 4.104 -9.321 -4.807 1.00 0.00 N ATOM 0 HA GLN A 16 4.989 -4.496 -4.658 1.00 0.00 H new ATOM 0 HB2 GLN A 16 2.726 -5.870 -4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.884 -6.072 -6.099 1.00 0.00 H new ATOM 0 HG2 GLN A 16 4.887 -7.287 -5.924 1.00 0.00 H new ATOM 0 HG3 GLN A 16 5.329 -6.551 -4.396 1.00 0.00 H new ATOM 0 HE21 GLN A 16 4.628 -9.364 -5.681 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.744 -10.177 -4.386 1.00 0.00 H new ATOM 47 N GLU A 17 3.552 -3.815 -7.538 1.00 0.00 N ATOM 48 CA GLU A 17 3.815 -3.501 -8.932 1.00 0.00 C ATOM 49 C GLU A 17 4.583 -2.182 -9.043 1.00 0.00 C ATOM 50 O GLU A 17 5.431 -2.025 -9.920 1.00 0.00 O ATOM 51 CB GLU A 17 2.515 -3.447 -9.737 1.00 0.00 C ATOM 52 CG GLU A 17 1.870 -2.063 -9.646 1.00 0.00 C ATOM 53 CD GLU A 17 0.527 -2.034 -10.378 1.00 0.00 C ATOM 54 OE1 GLU A 17 0.479 -2.262 -11.596 1.00 0.00 O ATOM 55 OE2 GLU A 17 -0.493 -1.765 -9.635 1.00 0.00 O ATOM 0 H GLU A 17 2.576 -3.722 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 17 4.432 -4.295 -9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.719 -3.689 -10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.821 -4.201 -9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.724 -1.794 -8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.539 -1.317 -10.076 1.00 0.00 H new ATOM 63 N GLN A 18 4.259 -1.267 -8.140 1.00 0.00 N ATOM 64 CA GLN A 18 4.907 0.033 -8.126 1.00 0.00 C ATOM 65 C GLN A 18 6.419 -0.130 -7.956 1.00 0.00 C ATOM 66 O GLN A 18 7.197 0.411 -8.740 1.00 0.00 O ATOM 67 CB GLN A 18 4.325 0.924 -7.027 1.00 0.00 C ATOM 68 CG GLN A 18 2.944 1.450 -7.422 1.00 0.00 C ATOM 69 CD GLN A 18 2.685 2.826 -6.805 1.00 0.00 C ATOM 70 OE1 GLN A 18 3.477 3.352 -6.042 1.00 0.00 O ATOM 71 NE2 GLN A 18 1.533 3.377 -7.178 1.00 0.00 N ATOM 0 H GLN A 18 3.556 -1.401 -7.413 1.00 0.00 H new ATOM 0 HA GLN A 18 4.719 0.522 -9.082 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.251 0.360 -6.097 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.997 1.761 -6.839 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.872 1.515 -8.508 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.176 0.750 -7.093 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.915 2.882 -7.821 1.00 0.00 H new ATOM 0 HE22 GLN A 18 1.268 4.295 -6.821 1.00 0.00 H new ATOM 80 N TRP A 19 6.790 -0.879 -6.928 1.00 0.00 N ATOM 81 CA TRP A 19 8.194 -1.120 -6.645 1.00 0.00 C ATOM 82 C TRP A 19 8.835 -1.710 -7.903 1.00 0.00 C ATOM 83 O TRP A 19 10.006 -1.460 -8.183 1.00 0.00 O ATOM 84 CB TRP A 19 8.361 -2.013 -5.414 1.00 0.00 C ATOM 85 CG TRP A 19 9.792 -2.507 -5.192 1.00 0.00 C ATOM 86 CD1 TRP A 19 10.904 -1.775 -5.046 1.00 0.00 C ATOM 87 CD2 TRP A 19 10.222 -3.882 -5.097 1.00 0.00 C ATOM 88 NE1 TRP A 19 12.015 -2.573 -4.864 1.00 0.00 N ATOM 89 CE2 TRP A 19 11.587 -3.895 -4.896 1.00 0.00 C ATOM 90 CE3 TRP A 19 9.482 -5.074 -5.178 1.00 0.00 C ATOM 91 CZ2 TRP A 19 12.330 -5.073 -4.759 1.00 0.00 C ATOM 92 CZ3 TRP A 19 10.239 -6.243 -5.040 1.00 0.00 C ATOM 93 CH2 TRP A 19 11.614 -6.273 -4.837 1.00 0.00 C ATOM 0 H TRP A 19 6.142 -1.327 -6.281 1.00 0.00 H new ATOM 0 HA TRP A 19 8.703 -0.188 -6.399 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.037 -1.462 -4.531 1.00 0.00 H new ATOM 0 HB3 TRP A 19 7.701 -2.875 -5.511 1.00 0.00 H new ATOM 0 HD1 TRP A 19 10.928 -0.695 -5.068 1.00 0.00 H new ATOM 0 HE1 TRP A 19 12.974 -2.252 -4.731 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.413 -5.087 -5.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 13.398 -5.057 -4.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 9.719 -7.188 -5.095 1.00 0.00 H new ATOM 0 HH2 TRP A 19 12.127 -7.218 -4.740 1.00 0.00 H new ATOM 104 N ALA A 20 8.039 -2.483 -8.627 1.00 0.00 N ATOM 105 CA ALA A 20 8.513 -3.111 -9.849 1.00 0.00 C ATOM 106 C ALA A 20 8.779 -2.032 -10.901 1.00 0.00 C ATOM 107 O ALA A 20 9.793 -2.075 -11.597 1.00 0.00 O ATOM 108 CB ALA A 20 7.492 -4.147 -10.320 1.00 0.00 C ATOM 0 H ALA A 20 7.068 -2.689 -8.391 1.00 0.00 H new ATOM 0 HA ALA A 20 9.451 -3.637 -9.672 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.848 -4.618 -11.236 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.362 -4.906 -9.549 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.538 -3.656 -10.511 1.00 0.00 H new ATOM 114 N MET A 21 7.850 -1.091 -10.985 1.00 0.00 N ATOM 115 CA MET A 21 7.971 -0.004 -11.941 1.00 0.00 C ATOM 116 C MET A 21 9.344 0.663 -11.842 1.00 0.00 C ATOM 117 O MET A 21 9.868 1.165 -12.836 1.00 0.00 O ATOM 118 CB MET A 21 6.879 1.034 -11.675 1.00 0.00 C ATOM 119 CG MET A 21 6.160 1.418 -12.970 1.00 0.00 C ATOM 120 SD MET A 21 4.487 1.926 -12.613 1.00 0.00 S ATOM 121 CE MET A 21 3.639 1.203 -14.007 1.00 0.00 C ATOM 0 H MET A 21 7.010 -1.059 -10.407 1.00 0.00 H new ATOM 0 HA MET A 21 7.858 -0.414 -12.945 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.160 0.635 -10.960 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.319 1.922 -11.222 1.00 0.00 H new ATOM 0 HG2 MET A 21 6.696 2.227 -13.467 1.00 0.00 H new ATOM 0 HG3 MET A 21 6.153 0.571 -13.656 1.00 0.00 H new ATOM 0 HE1 MET A 21 2.630 1.611 -14.071 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.182 1.434 -14.923 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.586 0.122 -13.880 1.00 0.00 H new ATOM 131 N GLN A 22 9.889 0.647 -10.635 1.00 0.00 N ATOM 132 CA GLN A 22 11.191 1.244 -10.393 1.00 0.00 C ATOM 133 C GLN A 22 12.136 0.948 -11.560 1.00 0.00 C ATOM 134 O GLN A 22 12.431 1.831 -12.363 1.00 0.00 O ATOM 135 CB GLN A 22 11.783 0.752 -9.070 1.00 0.00 C ATOM 136 CG GLN A 22 12.831 1.733 -8.540 1.00 0.00 C ATOM 137 CD GLN A 22 14.153 1.583 -9.295 1.00 0.00 C ATOM 138 OE1 GLN A 22 14.541 2.421 -10.093 1.00 0.00 O ATOM 139 NE2 GLN A 22 14.822 0.472 -9.000 1.00 0.00 N ATOM 0 H GLN A 22 9.452 0.230 -9.813 1.00 0.00 H new ATOM 0 HA GLN A 22 11.065 2.324 -10.317 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.988 0.631 -8.334 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.237 -0.229 -9.213 1.00 0.00 H new ATOM 0 HG2 GLN A 22 12.463 2.754 -8.642 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.993 1.558 -7.476 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.441 -0.188 -8.322 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.716 0.280 -9.451 1.00 0.00 H new ATOM 148 N THR A 23 12.583 -0.298 -11.615 1.00 0.00 N ATOM 149 CA THR A 23 13.488 -0.721 -12.670 1.00 0.00 C ATOM 150 C THR A 23 12.744 -0.819 -14.004 1.00 0.00 C ATOM 151 O THR A 23 13.143 -0.199 -14.988 1.00 0.00 O ATOM 152 CB THR A 23 14.136 -2.038 -12.238 1.00 0.00 C ATOM 153 OG1 THR A 23 14.927 -2.421 -13.359 1.00 0.00 O ATOM 154 CG2 THR A 23 13.118 -3.172 -12.095 1.00 0.00 C ATOM 0 H THR A 23 12.336 -1.028 -10.947 1.00 0.00 H new ATOM 0 HA THR A 23 14.280 0.011 -12.828 1.00 0.00 H new ATOM 0 HB THR A 23 14.654 -1.893 -11.290 1.00 0.00 H new ATOM 0 HG1 THR A 23 15.295 -3.317 -13.209 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.630 -4.084 -11.787 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.375 -2.902 -11.345 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.623 -3.339 -13.052 1.00 0.00 H new ATOM 162 N LEU A 24 11.676 -1.604 -13.993 1.00 0.00 N ATOM 163 CA LEU A 24 10.873 -1.791 -15.189 1.00 0.00 C ATOM 164 C LEU A 24 10.794 -0.470 -15.957 1.00 0.00 C ATOM 165 O LEU A 24 11.319 -0.359 -17.063 1.00 0.00 O ATOM 166 CB LEU A 24 9.506 -2.377 -14.830 1.00 0.00 C ATOM 167 CG LEU A 24 8.619 -2.782 -16.009 1.00 0.00 C ATOM 168 CD1 LEU A 24 7.841 -4.061 -15.696 1.00 0.00 C ATOM 169 CD2 LEU A 24 7.694 -1.634 -16.419 1.00 0.00 C ATOM 0 H LEU A 24 11.349 -2.117 -13.175 1.00 0.00 H new ATOM 0 HA LEU A 24 11.341 -2.518 -15.853 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.662 -3.253 -14.201 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.966 -1.645 -14.229 1.00 0.00 H new ATOM 0 HG LEU A 24 9.262 -2.997 -16.862 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.219 -4.327 -16.550 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.541 -4.871 -15.491 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.209 -3.898 -14.823 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.074 -1.948 -17.259 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.055 -1.363 -15.578 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.293 -0.772 -16.712 1.00 0.00 H new ATOM 181 N MET A 25 10.132 0.498 -15.339 1.00 0.00 N ATOM 182 CA MET A 25 9.977 1.807 -15.951 1.00 0.00 C ATOM 183 C MET A 25 11.291 2.590 -15.910 1.00 0.00 C ATOM 184 O MET A 25 11.508 3.489 -16.721 1.00 0.00 O ATOM 185 CB MET A 25 8.892 2.591 -15.211 1.00 0.00 C ATOM 186 CG MET A 25 9.500 3.739 -14.402 1.00 0.00 C ATOM 187 SD MET A 25 8.223 4.583 -13.484 1.00 0.00 S ATOM 188 CE MET A 25 6.946 4.661 -14.729 1.00 0.00 C ATOM 0 H MET A 25 9.697 0.402 -14.421 1.00 0.00 H new ATOM 0 HA MET A 25 9.691 1.669 -16.994 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.172 2.987 -15.927 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.345 1.923 -14.546 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.256 3.352 -13.718 1.00 0.00 H new ATOM 0 HG3 MET A 25 10.002 4.439 -15.070 1.00 0.00 H new ATOM 0 HE1 MET A 25 6.222 5.430 -14.460 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.392 4.904 -15.693 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.443 3.696 -14.795 1.00 0.00 H new ATOM 198 N GLY A 26 12.134 2.220 -14.957 1.00 0.00 N ATOM 199 CA GLY A 26 13.421 2.877 -14.800 1.00 0.00 C ATOM 200 C GLY A 26 14.337 2.580 -15.990 1.00 0.00 C ATOM 201 O GLY A 26 15.407 3.172 -16.116 1.00 0.00 O ATOM 0 H GLY A 26 11.951 1.474 -14.286 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.275 3.953 -14.708 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.895 2.540 -13.878 1.00 0.00 H new ATOM 205 N SER A 27 13.882 1.662 -16.831 1.00 0.00 N ATOM 206 CA SER A 27 14.648 1.280 -18.005 1.00 0.00 C ATOM 207 C SER A 27 14.851 2.493 -18.915 1.00 0.00 C ATOM 208 O SER A 27 15.668 2.454 -19.834 1.00 0.00 O ATOM 209 CB SER A 27 13.953 0.152 -18.772 1.00 0.00 C ATOM 210 OG SER A 27 13.040 0.651 -19.745 1.00 0.00 O ATOM 0 H SER A 27 12.994 1.172 -16.723 1.00 0.00 H new ATOM 0 HA SER A 27 15.620 0.914 -17.675 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.703 -0.468 -19.263 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.420 -0.489 -18.070 1.00 0.00 H new ATOM 0 HG SER A 27 12.290 1.092 -19.294 1.00 0.00 H new ATOM 216 N GLY A 28 14.095 3.542 -18.628 1.00 0.00 N ATOM 217 CA GLY A 28 14.182 4.764 -19.409 1.00 0.00 C ATOM 218 C GLY A 28 13.082 4.816 -20.471 1.00 0.00 C ATOM 219 O GLY A 28 13.021 5.756 -21.261 1.00 0.00 O ATOM 0 H GLY A 28 13.419 3.571 -17.865 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.097 5.628 -18.750 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.159 4.824 -19.889 1.00 0.00 H new ATOM 223 N VAL A 29 12.239 3.793 -20.455 1.00 0.00 N ATOM 224 CA VAL A 29 11.144 3.710 -21.406 1.00 0.00 C ATOM 225 C VAL A 29 10.066 4.728 -21.026 1.00 0.00 C ATOM 226 O VAL A 29 9.562 5.452 -21.883 1.00 0.00 O ATOM 227 CB VAL A 29 10.616 2.276 -21.472 1.00 0.00 C ATOM 228 CG1 VAL A 29 9.175 2.246 -21.987 1.00 0.00 C ATOM 229 CG2 VAL A 29 11.524 1.396 -22.333 1.00 0.00 C ATOM 0 H VAL A 29 12.293 3.015 -19.798 1.00 0.00 H new ATOM 0 HA VAL A 29 11.489 3.961 -22.409 1.00 0.00 H new ATOM 0 HB VAL A 29 10.619 1.871 -20.460 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.823 1.215 -22.024 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.537 2.823 -21.317 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.137 2.679 -22.987 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.126 0.382 -22.363 1.00 0.00 H new ATOM 0 HG22 VAL A 29 11.568 1.799 -23.345 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.526 1.379 -21.905 1.00 0.00 H new ATOM 239 N LEU A 30 9.745 4.750 -19.741 1.00 0.00 N ATOM 240 CA LEU A 30 8.736 5.666 -19.238 1.00 0.00 C ATOM 241 C LEU A 30 9.420 6.921 -18.692 1.00 0.00 C ATOM 242 O LEU A 30 10.647 7.011 -18.686 1.00 0.00 O ATOM 243 CB LEU A 30 7.835 4.964 -18.219 1.00 0.00 C ATOM 244 CG LEU A 30 7.047 3.760 -18.738 1.00 0.00 C ATOM 245 CD1 LEU A 30 6.281 3.076 -17.604 1.00 0.00 C ATOM 246 CD2 LEU A 30 6.125 4.163 -19.891 1.00 0.00 C ATOM 0 H LEU A 30 10.166 4.148 -19.033 1.00 0.00 H new ATOM 0 HA LEU A 30 8.077 5.987 -20.044 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.453 4.636 -17.383 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.128 5.694 -17.826 1.00 0.00 H new ATOM 0 HG LEU A 30 7.756 3.032 -19.132 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.729 2.223 -18.000 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.984 2.732 -16.845 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.583 3.784 -17.158 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.577 3.288 -20.241 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.420 4.919 -19.546 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.721 4.569 -20.709 1.00 0.00 H new ATOM 258 N ALA A 31 8.596 7.859 -18.247 1.00 0.00 N ATOM 259 CA ALA A 31 9.107 9.105 -17.700 1.00 0.00 C ATOM 260 C ALA A 31 8.434 9.379 -16.354 1.00 0.00 C ATOM 261 O ALA A 31 7.226 9.195 -16.210 1.00 0.00 O ATOM 262 CB ALA A 31 8.880 10.235 -18.706 1.00 0.00 C ATOM 0 H ALA A 31 7.579 7.781 -18.254 1.00 0.00 H new ATOM 0 HA ALA A 31 10.181 9.036 -17.524 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.263 11.170 -18.296 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.402 10.005 -19.635 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.813 10.336 -18.905 1.00 0.00 H new ATOM 268 N ARG A 32 9.245 9.815 -15.401 1.00 0.00 N ATOM 269 CA ARG A 32 8.744 10.117 -14.071 1.00 0.00 C ATOM 270 C ARG A 32 9.110 11.549 -13.678 1.00 0.00 C ATOM 271 O ARG A 32 10.150 12.063 -14.089 1.00 0.00 O ATOM 272 CB ARG A 32 9.316 9.149 -13.034 1.00 0.00 C ATOM 273 CG ARG A 32 10.839 9.059 -13.149 1.00 0.00 C ATOM 274 CD ARG A 32 11.252 7.932 -14.098 1.00 0.00 C ATOM 275 NE ARG A 32 12.691 8.047 -14.425 1.00 0.00 N ATOM 276 CZ ARG A 32 13.309 7.316 -15.362 1.00 0.00 C ATOM 277 NH1 ARG A 32 12.618 6.413 -16.071 1.00 0.00 N ATOM 278 NH2 ARG A 32 14.618 7.488 -15.590 1.00 0.00 N ATOM 0 H ARG A 32 10.246 9.966 -15.524 1.00 0.00 H new ATOM 0 HA ARG A 32 7.660 10.009 -14.093 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.042 9.480 -12.032 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.878 8.161 -13.174 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.237 10.007 -13.510 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.272 8.886 -12.164 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.052 6.965 -13.636 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.658 7.978 -15.011 1.00 0.00 H new ATOM 0 HE ARG A 32 13.247 8.725 -13.904 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.621 6.282 -15.897 1.00 0.00 H new ATOM 0 HH12 ARG A 32 13.089 5.856 -16.785 1.00 0.00 H new ATOM 0 HH21 ARG A 32 15.144 8.175 -15.050 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.089 6.931 -16.303 1.00 0.00 H new ATOM 292 N CYS A 33 8.237 12.154 -12.886 1.00 0.00 N ATOM 293 CA CYS A 33 8.455 13.517 -12.433 1.00 0.00 C ATOM 294 C CYS A 33 9.573 13.502 -11.388 1.00 0.00 C ATOM 295 O CYS A 33 9.618 12.618 -10.534 1.00 0.00 O ATOM 296 CB CYS A 33 7.172 14.144 -11.886 1.00 0.00 C ATOM 297 SG CYS A 33 6.961 15.831 -12.564 1.00 0.00 S ATOM 0 H CYS A 33 7.376 11.725 -12.546 1.00 0.00 H new ATOM 0 HA CYS A 33 8.754 14.140 -13.276 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.314 13.527 -12.152 1.00 0.00 H new ATOM 0 HB3 CYS A 33 7.212 14.183 -10.797 1.00 0.00 H new ATOM 0 HG CYS A 33 5.848 16.339 -12.125 1.00 0.00 H new ATOM 302 N ARG A 34 10.449 14.491 -11.491 1.00 0.00 N ATOM 303 CA ARG A 34 11.563 14.603 -10.565 1.00 0.00 C ATOM 304 C ARG A 34 11.063 15.011 -9.178 1.00 0.00 C ATOM 305 O ARG A 34 11.836 15.052 -8.223 1.00 0.00 O ATOM 306 CB ARG A 34 12.584 15.633 -11.054 1.00 0.00 C ATOM 307 CG ARG A 34 12.023 17.053 -10.952 1.00 0.00 C ATOM 308 CD ARG A 34 13.093 18.091 -11.294 1.00 0.00 C ATOM 309 NE ARG A 34 13.240 18.201 -12.763 1.00 0.00 N ATOM 310 CZ ARG A 34 14.031 17.409 -13.500 1.00 0.00 C ATOM 311 NH1 ARG A 34 14.750 16.444 -12.910 1.00 0.00 N ATOM 312 NH2 ARG A 34 14.102 17.581 -14.827 1.00 0.00 N ATOM 0 H ARG A 34 10.410 15.222 -12.202 1.00 0.00 H new ATOM 0 HA ARG A 34 12.045 13.627 -10.508 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.496 15.555 -10.462 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.855 15.419 -12.088 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.176 17.163 -11.629 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.650 17.229 -9.943 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.820 19.059 -10.874 1.00 0.00 H new ATOM 0 HD3 ARG A 34 14.045 17.806 -10.845 1.00 0.00 H new ATOM 0 HE ARG A 34 12.706 18.925 -13.244 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.695 16.312 -11.900 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.352 15.841 -13.471 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.554 18.315 -15.276 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.704 16.978 -15.388 1.00 0.00 H new ATOM 326 N ILE A 35 9.772 15.301 -9.112 1.00 0.00 N ATOM 327 CA ILE A 35 9.159 15.704 -7.857 1.00 0.00 C ATOM 328 C ILE A 35 8.424 14.509 -7.247 1.00 0.00 C ATOM 329 O ILE A 35 8.091 14.519 -6.063 1.00 0.00 O ATOM 330 CB ILE A 35 8.270 16.932 -8.065 1.00 0.00 C ATOM 331 CG1 ILE A 35 9.014 18.023 -8.837 1.00 0.00 C ATOM 332 CG2 ILE A 35 7.722 17.444 -6.732 1.00 0.00 C ATOM 333 CD1 ILE A 35 8.033 18.949 -9.561 1.00 0.00 C ATOM 0 H ILE A 35 9.134 15.265 -9.907 1.00 0.00 H new ATOM 0 HA ILE A 35 9.922 16.009 -7.141 1.00 0.00 H new ATOM 0 HB ILE A 35 7.414 16.636 -8.672 1.00 0.00 H new ATOM 0 HG12 ILE A 35 9.629 18.604 -8.150 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.689 17.566 -9.560 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.094 18.317 -6.908 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.131 16.661 -6.257 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.551 17.719 -6.080 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.588 19.715 -10.102 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.436 18.368 -10.265 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.375 19.423 -8.833 1.00 0.00 H new ATOM 345 N HIS A 36 8.192 13.507 -8.083 1.00 0.00 N ATOM 346 CA HIS A 36 7.503 12.307 -7.641 1.00 0.00 C ATOM 347 C HIS A 36 7.843 11.146 -8.577 1.00 0.00 C ATOM 348 O HIS A 36 7.723 11.270 -9.795 1.00 0.00 O ATOM 349 CB HIS A 36 5.998 12.556 -7.526 1.00 0.00 C ATOM 350 CG HIS A 36 5.459 13.539 -8.538 1.00 0.00 C ATOM 351 ND1 HIS A 36 5.295 13.224 -9.876 1.00 0.00 N ATOM 352 CD2 HIS A 36 5.049 14.832 -8.394 1.00 0.00 C ATOM 353 CE1 HIS A 36 4.808 14.287 -10.499 1.00 0.00 C ATOM 354 NE2 HIS A 36 4.657 15.283 -9.579 1.00 0.00 N ATOM 0 H HIS A 36 8.469 13.502 -9.065 1.00 0.00 H new ATOM 0 HA HIS A 36 7.844 12.034 -6.642 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.473 11.608 -7.641 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.776 12.923 -6.524 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.044 15.394 -7.472 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.572 14.353 -11.551 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.301 16.220 -9.770 1.00 0.00 H new ATOM 362 N ASN A 37 8.260 10.043 -7.972 1.00 0.00 N ATOM 363 CA ASN A 37 8.617 8.860 -8.736 1.00 0.00 C ATOM 364 C ASN A 37 7.431 7.894 -8.758 1.00 0.00 C ATOM 365 O ASN A 37 7.455 6.892 -9.470 1.00 0.00 O ATOM 366 CB ASN A 37 9.807 8.135 -8.104 1.00 0.00 C ATOM 367 CG ASN A 37 10.775 9.128 -7.459 1.00 0.00 C ATOM 368 OD1 ASN A 37 10.688 9.446 -6.285 1.00 0.00 O ATOM 369 ND2 ASN A 37 11.701 9.599 -8.290 1.00 0.00 N ATOM 0 H ASN A 37 8.358 9.944 -6.962 1.00 0.00 H new ATOM 0 HA ASN A 37 8.882 9.177 -9.744 1.00 0.00 H new ATOM 0 HB2 ASN A 37 9.451 7.430 -7.353 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.329 7.554 -8.865 1.00 0.00 H new ATOM 0 HD21 ASN A 37 12.394 10.268 -7.955 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.718 9.291 -9.262 1.00 0.00 H new ATOM 376 N ASP A 38 6.422 8.229 -7.967 1.00 0.00 N ATOM 377 CA ASP A 38 5.229 7.403 -7.886 1.00 0.00 C ATOM 378 C ASP A 38 4.331 7.693 -9.091 1.00 0.00 C ATOM 379 O ASP A 38 3.248 7.122 -9.213 1.00 0.00 O ATOM 380 CB ASP A 38 4.432 7.711 -6.617 1.00 0.00 C ATOM 381 CG ASP A 38 5.127 7.330 -5.309 1.00 0.00 C ATOM 382 OD1 ASP A 38 5.597 6.195 -5.142 1.00 0.00 O ATOM 383 OD2 ASP A 38 5.178 8.269 -4.425 1.00 0.00 O ATOM 0 H ASP A 38 6.406 9.061 -7.377 1.00 0.00 H new ATOM 0 HA ASP A 38 5.541 6.359 -7.871 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.210 8.778 -6.596 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.477 7.188 -6.670 1.00 0.00 H new ATOM 389 N VAL A 39 4.814 8.579 -9.949 1.00 0.00 N ATOM 390 CA VAL A 39 4.068 8.952 -11.139 1.00 0.00 C ATOM 391 C VAL A 39 4.648 8.217 -12.349 1.00 0.00 C ATOM 392 O VAL A 39 5.841 7.923 -12.389 1.00 0.00 O ATOM 393 CB VAL A 39 4.072 10.473 -11.305 1.00 0.00 C ATOM 394 CG1 VAL A 39 3.317 10.888 -12.569 1.00 0.00 C ATOM 395 CG2 VAL A 39 3.492 11.161 -10.068 1.00 0.00 C ATOM 0 H VAL A 39 5.713 9.050 -9.844 1.00 0.00 H new ATOM 0 HA VAL A 39 3.024 8.652 -11.045 1.00 0.00 H new ATOM 0 HB VAL A 39 5.107 10.796 -11.412 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.335 11.974 -12.663 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.793 10.440 -13.441 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.284 10.546 -12.504 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.507 12.241 -10.212 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.465 10.829 -9.915 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.091 10.904 -9.194 1.00 0.00 H new ATOM 405 N ILE A 40 3.775 7.940 -13.307 1.00 0.00 N ATOM 406 CA ILE A 40 4.185 7.245 -14.516 1.00 0.00 C ATOM 407 C ILE A 40 3.769 8.067 -15.738 1.00 0.00 C ATOM 408 O ILE A 40 2.612 8.467 -15.856 1.00 0.00 O ATOM 409 CB ILE A 40 3.642 5.815 -14.522 1.00 0.00 C ATOM 410 CG1 ILE A 40 3.646 5.233 -15.937 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.255 5.753 -13.880 1.00 0.00 C ATOM 412 CD1 ILE A 40 2.932 3.880 -15.975 1.00 0.00 C ATOM 0 H ILE A 40 2.785 8.184 -13.270 1.00 0.00 H new ATOM 0 HA ILE A 40 5.270 7.149 -14.551 1.00 0.00 H new ATOM 0 HB ILE A 40 4.304 5.195 -13.918 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.156 5.926 -16.621 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.673 5.116 -16.283 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.892 4.725 -13.897 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.316 6.099 -12.848 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.568 6.390 -14.437 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.949 3.488 -16.992 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.439 3.182 -15.309 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.899 4.005 -15.651 1.00 0.00 H new ATOM 424 N LEU A 41 4.735 8.293 -16.615 1.00 0.00 N ATOM 425 CA LEU A 41 4.483 9.060 -17.824 1.00 0.00 C ATOM 426 C LEU A 41 5.003 8.281 -19.034 1.00 0.00 C ATOM 427 O LEU A 41 5.804 7.359 -18.886 1.00 0.00 O ATOM 428 CB LEU A 41 5.071 10.466 -17.699 1.00 0.00 C ATOM 429 CG LEU A 41 4.846 11.171 -16.360 1.00 0.00 C ATOM 430 CD1 LEU A 41 5.950 12.194 -16.086 1.00 0.00 C ATOM 431 CD2 LEU A 41 3.453 11.801 -16.299 1.00 0.00 C ATOM 0 H LEU A 41 5.693 7.959 -16.513 1.00 0.00 H new ATOM 0 HA LEU A 41 3.412 9.200 -17.970 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.144 10.407 -17.880 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.648 11.087 -18.489 1.00 0.00 H new ATOM 0 HG LEU A 41 4.896 10.423 -15.568 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.766 12.680 -15.128 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.915 11.689 -16.056 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.957 12.943 -16.878 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.319 12.296 -15.337 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.349 12.532 -17.100 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.697 11.025 -16.416 1.00 0.00 H new ATOM 443 N ASP A 42 4.527 8.680 -20.204 1.00 0.00 N ATOM 444 CA ASP A 42 4.933 8.031 -21.439 1.00 0.00 C ATOM 445 C ASP A 42 6.055 8.843 -22.091 1.00 0.00 C ATOM 446 O ASP A 42 5.986 10.070 -22.146 1.00 0.00 O ATOM 447 CB ASP A 42 3.770 7.952 -22.429 1.00 0.00 C ATOM 448 CG ASP A 42 2.886 6.711 -22.290 1.00 0.00 C ATOM 449 OD1 ASP A 42 2.200 6.527 -21.273 1.00 0.00 O ATOM 450 OD2 ASP A 42 2.919 5.903 -23.294 1.00 0.00 O ATOM 0 H ASP A 42 3.863 9.445 -20.323 1.00 0.00 H new ATOM 0 HA ASP A 42 5.267 7.023 -21.196 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.148 8.838 -22.307 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.172 7.982 -23.442 1.00 0.00 H new ATOM 456 N SER A 43 7.061 8.125 -22.568 1.00 0.00 N ATOM 457 CA SER A 43 8.195 8.763 -23.215 1.00 0.00 C ATOM 458 C SER A 43 8.139 8.525 -24.725 1.00 0.00 C ATOM 459 O SER A 43 8.338 9.451 -25.510 1.00 0.00 O ATOM 460 CB SER A 43 9.517 8.244 -22.645 1.00 0.00 C ATOM 461 OG SER A 43 10.591 9.152 -22.876 1.00 0.00 O ATOM 0 H SER A 43 7.115 7.108 -22.519 1.00 0.00 H new ATOM 0 HA SER A 43 8.141 9.834 -23.021 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.409 8.076 -21.574 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.753 7.281 -23.097 1.00 0.00 H new ATOM 0 HG SER A 43 11.417 8.786 -22.496 1.00 0.00 H new ATOM 467 N GLY A 44 7.866 7.280 -25.086 1.00 0.00 N ATOM 468 CA GLY A 44 7.781 6.909 -26.488 1.00 0.00 C ATOM 469 C GLY A 44 9.061 6.208 -26.949 1.00 0.00 C ATOM 470 O GLY A 44 9.502 6.396 -28.082 1.00 0.00 O ATOM 0 H GLY A 44 7.701 6.515 -24.432 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.926 6.251 -26.642 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.611 7.799 -27.094 1.00 0.00 H new ATOM 474 N ASN A 45 9.621 5.416 -26.047 1.00 0.00 N ATOM 475 CA ASN A 45 10.841 4.686 -26.347 1.00 0.00 C ATOM 476 C ASN A 45 10.533 3.189 -26.407 1.00 0.00 C ATOM 477 O ASN A 45 9.474 2.751 -25.961 1.00 0.00 O ATOM 478 CB ASN A 45 11.897 4.908 -25.262 1.00 0.00 C ATOM 479 CG ASN A 45 12.698 6.183 -25.529 1.00 0.00 C ATOM 480 OD1 ASN A 45 13.909 6.166 -25.683 1.00 0.00 O ATOM 481 ND2 ASN A 45 11.959 7.288 -25.575 1.00 0.00 N ATOM 0 H ASN A 45 9.253 5.264 -25.108 1.00 0.00 H new ATOM 0 HA ASN A 45 11.223 5.047 -27.302 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.413 4.976 -24.287 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.571 4.052 -25.225 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.402 8.191 -25.748 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.950 7.233 -25.438 1.00 0.00 H new ATOM 488 N ASP A 46 11.478 2.444 -26.962 1.00 0.00 N ATOM 489 CA ASP A 46 11.321 1.005 -27.087 1.00 0.00 C ATOM 490 C ASP A 46 10.912 0.422 -25.733 1.00 0.00 C ATOM 491 O ASP A 46 11.755 0.216 -24.861 1.00 0.00 O ATOM 492 CB ASP A 46 12.634 0.342 -27.509 1.00 0.00 C ATOM 493 CG ASP A 46 12.476 -0.931 -28.343 1.00 0.00 C ATOM 494 OD1 ASP A 46 11.472 -1.113 -29.047 1.00 0.00 O ATOM 495 OD2 ASP A 46 13.452 -1.769 -28.248 1.00 0.00 O ATOM 0 H ASP A 46 12.356 2.810 -27.330 1.00 0.00 H new ATOM 0 HA ASP A 46 10.560 0.813 -27.844 1.00 0.00 H new ATOM 0 HB2 ASP A 46 13.220 1.062 -28.080 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.207 0.103 -26.613 1.00 0.00 H new ATOM 501 N ALA A 47 9.617 0.173 -25.599 1.00 0.00 N ATOM 502 CA ALA A 47 9.085 -0.382 -24.366 1.00 0.00 C ATOM 503 C ALA A 47 9.521 -1.843 -24.240 1.00 0.00 C ATOM 504 O ALA A 47 9.366 -2.452 -23.182 1.00 0.00 O ATOM 505 CB ALA A 47 7.564 -0.223 -24.349 1.00 0.00 C ATOM 0 H ALA A 47 8.921 0.346 -26.324 1.00 0.00 H new ATOM 0 HA ALA A 47 9.478 0.155 -23.502 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.165 -0.639 -23.424 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.308 0.835 -24.411 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.133 -0.751 -25.200 1.00 0.00 H new ATOM 511 N SER A 48 10.056 -2.364 -25.334 1.00 0.00 N ATOM 512 CA SER A 48 10.515 -3.742 -25.359 1.00 0.00 C ATOM 513 C SER A 48 11.551 -3.969 -24.257 1.00 0.00 C ATOM 514 O SER A 48 11.522 -4.992 -23.574 1.00 0.00 O ATOM 515 CB SER A 48 11.104 -4.102 -26.725 1.00 0.00 C ATOM 516 OG SER A 48 10.377 -3.504 -27.795 1.00 0.00 O ATOM 0 H SER A 48 10.182 -1.857 -26.210 1.00 0.00 H new ATOM 0 HA SER A 48 9.658 -4.391 -25.181 1.00 0.00 H new ATOM 0 HB2 SER A 48 12.144 -3.778 -26.768 1.00 0.00 H new ATOM 0 HB3 SER A 48 11.102 -5.185 -26.846 1.00 0.00 H new ATOM 0 HG SER A 48 10.929 -2.814 -28.220 1.00 0.00 H new ATOM 522 N SER A 49 12.443 -2.999 -24.119 1.00 0.00 N ATOM 523 CA SER A 49 13.487 -3.080 -23.111 1.00 0.00 C ATOM 524 C SER A 49 12.863 -3.136 -21.715 1.00 0.00 C ATOM 525 O SER A 49 13.146 -4.049 -20.941 1.00 0.00 O ATOM 526 CB SER A 49 14.448 -1.894 -23.217 1.00 0.00 C ATOM 527 OG SER A 49 15.575 -2.042 -22.357 1.00 0.00 O ATOM 0 H SER A 49 12.464 -2.153 -24.688 1.00 0.00 H new ATOM 0 HA SER A 49 14.059 -3.992 -23.283 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.789 -1.794 -24.248 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.919 -0.975 -22.966 1.00 0.00 H new ATOM 0 HG SER A 49 16.165 -1.266 -22.455 1.00 0.00 H new ATOM 533 N ALA A 50 12.027 -2.147 -21.436 1.00 0.00 N ATOM 534 CA ALA A 50 11.361 -2.071 -20.146 1.00 0.00 C ATOM 535 C ALA A 50 10.643 -3.394 -19.870 1.00 0.00 C ATOM 536 O ALA A 50 10.706 -3.918 -18.759 1.00 0.00 O ATOM 537 CB ALA A 50 10.406 -0.876 -20.134 1.00 0.00 C ATOM 0 H ALA A 50 11.795 -1.391 -22.081 1.00 0.00 H new ATOM 0 HA ALA A 50 12.087 -1.916 -19.347 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.907 -0.819 -19.167 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.969 0.041 -20.306 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.661 -0.998 -20.920 1.00 0.00 H new ATOM 543 N TYR A 51 9.977 -3.895 -20.900 1.00 0.00 N ATOM 544 CA TYR A 51 9.248 -5.146 -20.782 1.00 0.00 C ATOM 545 C TYR A 51 10.207 -6.326 -20.610 1.00 0.00 C ATOM 546 O TYR A 51 9.852 -7.337 -20.006 1.00 0.00 O ATOM 547 CB TYR A 51 8.482 -5.314 -22.096 1.00 0.00 C ATOM 548 CG TYR A 51 7.533 -4.157 -22.415 1.00 0.00 C ATOM 549 CD1 TYR A 51 7.307 -3.171 -21.476 1.00 0.00 C ATOM 550 CD2 TYR A 51 6.904 -4.099 -23.642 1.00 0.00 C ATOM 551 CE1 TYR A 51 6.414 -2.082 -21.777 1.00 0.00 C ATOM 552 CE2 TYR A 51 6.011 -3.010 -23.942 1.00 0.00 C ATOM 553 CZ TYR A 51 5.810 -2.055 -22.995 1.00 0.00 C ATOM 554 OH TYR A 51 4.967 -1.027 -23.279 1.00 0.00 O ATOM 0 H TYR A 51 9.927 -3.457 -21.820 1.00 0.00 H new ATOM 0 HA TYR A 51 8.589 -5.125 -19.914 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.198 -5.419 -22.911 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.909 -6.240 -22.055 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.800 -3.216 -20.516 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.081 -4.870 -24.377 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.228 -1.304 -21.051 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.512 -2.953 -24.898 1.00 0.00 H new ATOM 0 HH TYR A 51 5.183 -0.260 -22.709 1.00 0.00 H new ATOM 564 N LYS A 52 11.404 -6.158 -21.153 1.00 0.00 N ATOM 565 CA LYS A 52 12.417 -7.196 -21.068 1.00 0.00 C ATOM 566 C LYS A 52 12.921 -7.294 -19.627 1.00 0.00 C ATOM 567 O LYS A 52 12.967 -8.381 -19.054 1.00 0.00 O ATOM 568 CB LYS A 52 13.526 -6.948 -22.092 1.00 0.00 C ATOM 569 CG LYS A 52 14.738 -7.840 -21.815 1.00 0.00 C ATOM 570 CD LYS A 52 15.831 -7.620 -22.862 1.00 0.00 C ATOM 571 CE LYS A 52 15.571 -8.463 -24.112 1.00 0.00 C ATOM 572 NZ LYS A 52 16.501 -8.080 -25.198 1.00 0.00 N ATOM 0 H LYS A 52 11.695 -5.318 -21.654 1.00 0.00 H new ATOM 0 HA LYS A 52 11.991 -8.166 -21.324 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.149 -7.142 -23.096 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.826 -5.901 -22.062 1.00 0.00 H new ATOM 0 HG2 LYS A 52 15.132 -7.626 -20.822 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.432 -8.886 -21.818 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.873 -6.565 -23.133 1.00 0.00 H new ATOM 0 HD3 LYS A 52 16.802 -7.879 -22.440 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.693 -9.520 -23.877 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.541 -8.327 -24.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 16.311 -8.662 -26.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.365 -7.076 -25.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.481 -8.233 -24.886 1.00 0.00 H new ATOM 586 N LEU A 53 13.286 -6.142 -19.082 1.00 0.00 N ATOM 587 CA LEU A 53 13.785 -6.084 -17.719 1.00 0.00 C ATOM 588 C LEU A 53 12.620 -6.280 -16.746 1.00 0.00 C ATOM 589 O LEU A 53 12.811 -6.774 -15.635 1.00 0.00 O ATOM 590 CB LEU A 53 14.567 -4.790 -17.489 1.00 0.00 C ATOM 591 CG LEU A 53 13.768 -3.615 -16.922 1.00 0.00 C ATOM 592 CD1 LEU A 53 13.312 -3.901 -15.490 1.00 0.00 C ATOM 593 CD2 LEU A 53 14.565 -2.312 -17.020 1.00 0.00 C ATOM 0 H LEU A 53 13.246 -5.242 -19.560 1.00 0.00 H new ATOM 0 HA LEU A 53 14.493 -6.893 -17.538 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.392 -5.004 -16.810 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.006 -4.481 -18.437 1.00 0.00 H new ATOM 0 HG LEU A 53 12.870 -3.490 -17.527 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.746 -3.050 -15.111 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.681 -4.790 -15.480 1.00 0.00 H new ATOM 0 HD13 LEU A 53 14.184 -4.068 -14.857 1.00 0.00 H new ATOM 0 HD21 LEU A 53 13.974 -1.493 -16.610 1.00 0.00 H new ATOM 0 HD22 LEU A 53 15.492 -2.409 -16.455 1.00 0.00 H new ATOM 0 HD23 LEU A 53 14.797 -2.105 -18.065 1.00 0.00 H new ATOM 605 N GLY A 54 11.440 -5.882 -17.197 1.00 0.00 N ATOM 606 CA GLY A 54 10.245 -6.007 -16.380 1.00 0.00 C ATOM 607 C GLY A 54 9.841 -7.475 -16.221 1.00 0.00 C ATOM 608 O GLY A 54 9.643 -7.950 -15.104 1.00 0.00 O ATOM 0 H GLY A 54 11.286 -5.472 -18.118 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.423 -5.567 -15.399 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.428 -5.448 -16.836 1.00 0.00 H new ATOM 612 N THR A 55 9.730 -8.151 -17.355 1.00 0.00 N ATOM 613 CA THR A 55 9.353 -9.554 -17.356 1.00 0.00 C ATOM 614 C THR A 55 10.418 -10.393 -16.646 1.00 0.00 C ATOM 615 O THR A 55 10.092 -11.277 -15.855 1.00 0.00 O ATOM 616 CB THR A 55 9.112 -9.978 -18.806 1.00 0.00 C ATOM 617 OG1 THR A 55 10.320 -9.628 -19.475 1.00 0.00 O ATOM 618 CG2 THR A 55 8.044 -9.128 -19.495 1.00 0.00 C ATOM 0 H THR A 55 9.895 -7.753 -18.280 1.00 0.00 H new ATOM 0 HA THR A 55 8.431 -9.716 -16.798 1.00 0.00 H new ATOM 0 HB THR A 55 8.814 -11.026 -18.833 1.00 0.00 H new ATOM 0 HG1 THR A 55 10.169 -8.833 -20.028 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.912 -9.471 -20.521 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.101 -9.222 -18.957 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.357 -8.084 -19.499 1.00 0.00 H new ATOM 626 N TYR A 56 11.670 -10.086 -16.954 1.00 0.00 N ATOM 627 CA TYR A 56 12.785 -10.800 -16.356 1.00 0.00 C ATOM 628 C TYR A 56 12.758 -10.679 -14.831 1.00 0.00 C ATOM 629 O TYR A 56 12.859 -11.681 -14.124 1.00 0.00 O ATOM 630 CB TYR A 56 14.051 -10.126 -16.887 1.00 0.00 C ATOM 631 CG TYR A 56 15.299 -10.395 -16.044 1.00 0.00 C ATOM 632 CD1 TYR A 56 16.005 -11.569 -16.212 1.00 0.00 C ATOM 633 CD2 TYR A 56 15.720 -9.463 -15.117 1.00 0.00 C ATOM 634 CE1 TYR A 56 17.180 -11.822 -15.418 1.00 0.00 C ATOM 635 CE2 TYR A 56 16.895 -9.717 -14.324 1.00 0.00 C ATOM 636 CZ TYR A 56 17.567 -10.884 -14.514 1.00 0.00 C ATOM 637 OH TYR A 56 18.676 -11.123 -13.764 1.00 0.00 O ATOM 0 H TYR A 56 11.937 -9.352 -17.610 1.00 0.00 H new ATOM 0 HA TYR A 56 12.740 -11.860 -16.605 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.233 -10.468 -17.906 1.00 0.00 H new ATOM 0 HB3 TYR A 56 13.884 -9.050 -16.937 1.00 0.00 H new ATOM 0 HD1 TYR A 56 15.677 -12.298 -16.938 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.168 -8.544 -14.986 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.741 -12.737 -15.538 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.235 -8.997 -13.595 1.00 0.00 H new ATOM 0 HH TYR A 56 18.833 -10.366 -13.162 1.00 0.00 H new ATOM 647 N LEU A 57 12.621 -9.445 -14.369 1.00 0.00 N ATOM 648 CA LEU A 57 12.580 -9.180 -12.941 1.00 0.00 C ATOM 649 C LEU A 57 11.286 -9.752 -12.358 1.00 0.00 C ATOM 650 O LEU A 57 11.271 -10.234 -11.227 1.00 0.00 O ATOM 651 CB LEU A 57 12.772 -7.687 -12.667 1.00 0.00 C ATOM 652 CG LEU A 57 13.347 -7.326 -11.297 1.00 0.00 C ATOM 653 CD1 LEU A 57 14.867 -7.160 -11.366 1.00 0.00 C ATOM 654 CD2 LEU A 57 12.661 -6.083 -10.725 1.00 0.00 C ATOM 0 H LEU A 57 12.537 -8.617 -14.959 1.00 0.00 H new ATOM 0 HA LEU A 57 13.406 -9.681 -12.436 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.430 -7.279 -13.434 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.808 -7.191 -12.777 1.00 0.00 H new ATOM 0 HG LEU A 57 13.144 -8.150 -10.614 1.00 0.00 H new ATOM 0 HD11 LEU A 57 15.250 -6.903 -10.378 1.00 0.00 H new ATOM 0 HD12 LEU A 57 15.320 -8.093 -11.700 1.00 0.00 H new ATOM 0 HD13 LEU A 57 15.115 -6.365 -12.069 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.088 -5.848 -9.750 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.812 -5.241 -11.400 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.593 -6.274 -10.617 1.00 0.00 H new ATOM 666 N TYR A 58 10.232 -9.678 -13.157 1.00 0.00 N ATOM 667 CA TYR A 58 8.936 -10.182 -12.734 1.00 0.00 C ATOM 668 C TYR A 58 8.985 -11.694 -12.500 1.00 0.00 C ATOM 669 O TYR A 58 8.419 -12.194 -11.530 1.00 0.00 O ATOM 670 CB TYR A 58 7.973 -9.888 -13.886 1.00 0.00 C ATOM 671 CG TYR A 58 7.169 -8.598 -13.710 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.556 -8.327 -12.504 1.00 0.00 C ATOM 673 CD2 TYR A 58 7.056 -7.707 -14.758 1.00 0.00 C ATOM 674 CE1 TYR A 58 5.798 -7.113 -12.338 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.299 -6.493 -14.592 1.00 0.00 C ATOM 676 CZ TYR A 58 5.708 -6.256 -13.391 1.00 0.00 C ATOM 677 OH TYR A 58 4.992 -5.110 -13.234 1.00 0.00 O ATOM 0 H TYR A 58 10.249 -9.277 -14.095 1.00 0.00 H new ATOM 0 HA TYR A 58 8.628 -9.712 -11.800 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.541 -9.826 -14.814 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.281 -10.724 -13.990 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.644 -9.025 -11.684 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.535 -7.920 -15.702 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.313 -6.888 -11.400 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.203 -5.787 -15.403 1.00 0.00 H new ATOM 0 HH TYR A 58 5.014 -4.594 -14.067 1.00 0.00 H new ATOM 687 N GLN A 59 9.668 -12.378 -13.406 1.00 0.00 N ATOM 688 CA GLN A 59 9.799 -13.822 -13.310 1.00 0.00 C ATOM 689 C GLN A 59 11.147 -14.272 -13.878 1.00 0.00 C ATOM 690 O GLN A 59 11.550 -13.832 -14.953 1.00 0.00 O ATOM 691 CB GLN A 59 8.642 -14.526 -14.022 1.00 0.00 C ATOM 692 CG GLN A 59 7.427 -14.653 -13.101 1.00 0.00 C ATOM 693 CD GLN A 59 7.792 -15.391 -11.811 1.00 0.00 C ATOM 694 OE1 GLN A 59 7.844 -14.822 -10.733 1.00 0.00 O ATOM 695 NE2 GLN A 59 8.040 -16.687 -11.981 1.00 0.00 N ATOM 0 H GLN A 59 10.136 -11.959 -14.210 1.00 0.00 H new ATOM 0 HA GLN A 59 9.759 -14.101 -12.257 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.368 -13.968 -14.917 1.00 0.00 H new ATOM 0 HB3 GLN A 59 8.960 -15.516 -14.349 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.043 -13.662 -12.861 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.629 -15.188 -13.617 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.979 -17.100 -12.912 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.292 -17.267 -11.181 1.00 0.00 H new ATOM 856 N LEU A 70 3.480 -14.793 -18.266 1.00 0.00 N ATOM 857 CA LEU A 70 4.230 -13.644 -18.746 1.00 0.00 C ATOM 858 C LEU A 70 3.260 -12.614 -19.328 1.00 0.00 C ATOM 859 O LEU A 70 3.506 -11.411 -19.250 1.00 0.00 O ATOM 860 CB LEU A 70 5.319 -14.087 -19.726 1.00 0.00 C ATOM 861 CG LEU A 70 6.537 -13.168 -19.834 1.00 0.00 C ATOM 862 CD1 LEU A 70 6.165 -11.840 -20.495 1.00 0.00 C ATOM 863 CD2 LEU A 70 7.194 -12.964 -18.468 1.00 0.00 C ATOM 0 HA LEU A 70 4.753 -13.159 -17.922 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.662 -15.079 -19.433 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.872 -14.183 -20.716 1.00 0.00 H new ATOM 0 HG LEU A 70 7.273 -13.652 -20.476 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.049 -11.205 -20.559 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.779 -12.028 -21.497 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.401 -11.339 -19.900 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.057 -12.307 -18.574 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.476 -12.513 -17.783 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.517 -13.927 -18.072 1.00 0.00 H new ATOM 875 N THR A 71 2.179 -13.123 -19.900 1.00 0.00 N ATOM 876 CA THR A 71 1.171 -12.262 -20.495 1.00 0.00 C ATOM 877 C THR A 71 0.631 -11.277 -19.457 1.00 0.00 C ATOM 878 O THR A 71 0.293 -10.142 -19.790 1.00 0.00 O ATOM 879 CB THR A 71 0.089 -13.154 -21.107 1.00 0.00 C ATOM 880 OG1 THR A 71 0.709 -13.709 -22.264 1.00 0.00 O ATOM 881 CG2 THR A 71 -1.086 -12.349 -21.665 1.00 0.00 C ATOM 0 H THR A 71 1.979 -14.121 -19.964 1.00 0.00 H new ATOM 0 HA THR A 71 1.594 -11.648 -21.290 1.00 0.00 H new ATOM 0 HB THR A 71 -0.274 -13.853 -20.353 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.077 -14.303 -22.721 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.825 -13.030 -22.087 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.543 -11.769 -20.863 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.728 -11.674 -22.442 1.00 0.00 H new ATOM 889 N GLU A 72 0.567 -11.746 -18.220 1.00 0.00 N ATOM 890 CA GLU A 72 0.074 -10.920 -17.131 1.00 0.00 C ATOM 891 C GLU A 72 0.934 -9.663 -16.986 1.00 0.00 C ATOM 892 O GLU A 72 0.411 -8.551 -16.935 1.00 0.00 O ATOM 893 CB GLU A 72 0.031 -11.709 -15.820 1.00 0.00 C ATOM 894 CG GLU A 72 -1.273 -12.499 -15.698 1.00 0.00 C ATOM 895 CD GLU A 72 -1.558 -12.864 -14.240 1.00 0.00 C ATOM 896 OE1 GLU A 72 -0.844 -13.693 -13.657 1.00 0.00 O ATOM 897 OE2 GLU A 72 -2.563 -12.252 -13.711 1.00 0.00 O ATOM 0 H GLU A 72 0.848 -12.688 -17.947 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.945 -10.614 -17.366 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.880 -12.392 -15.774 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.126 -11.025 -14.977 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.098 -11.909 -16.097 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.210 -13.407 -16.298 1.00 0.00 H new ATOM 905 N ALA A 73 2.239 -9.881 -16.925 1.00 0.00 N ATOM 906 CA ALA A 73 3.177 -8.780 -16.788 1.00 0.00 C ATOM 907 C ALA A 73 3.065 -7.865 -18.009 1.00 0.00 C ATOM 908 O ALA A 73 3.019 -6.644 -17.872 1.00 0.00 O ATOM 909 CB ALA A 73 4.591 -9.333 -16.602 1.00 0.00 C ATOM 0 H ALA A 73 2.669 -10.805 -16.968 1.00 0.00 H new ATOM 0 HA ALA A 73 2.942 -8.184 -15.906 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.294 -8.507 -16.499 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.625 -9.952 -15.705 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.863 -9.935 -17.469 1.00 0.00 H new ATOM 915 N ARG A 74 3.024 -8.491 -19.176 1.00 0.00 N ATOM 916 CA ARG A 74 2.918 -7.749 -20.421 1.00 0.00 C ATOM 917 C ARG A 74 1.719 -6.799 -20.372 1.00 0.00 C ATOM 918 O ARG A 74 1.820 -5.645 -20.784 1.00 0.00 O ATOM 919 CB ARG A 74 2.764 -8.693 -21.614 1.00 0.00 C ATOM 920 CG ARG A 74 2.921 -7.937 -22.935 1.00 0.00 C ATOM 921 CD ARG A 74 2.499 -8.810 -24.119 1.00 0.00 C ATOM 922 NE ARG A 74 2.814 -8.123 -25.392 1.00 0.00 N ATOM 923 CZ ARG A 74 2.967 -8.749 -26.566 1.00 0.00 C ATOM 924 NH1 ARG A 74 2.834 -10.081 -26.638 1.00 0.00 N ATOM 925 NH2 ARG A 74 3.252 -8.044 -27.670 1.00 0.00 N ATOM 0 H ARG A 74 3.062 -9.504 -19.286 1.00 0.00 H new ATOM 0 HA ARG A 74 3.836 -7.175 -20.544 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.510 -9.486 -21.554 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.786 -9.172 -21.579 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.317 -7.030 -22.913 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.958 -7.626 -23.059 1.00 0.00 H new ATOM 0 HD2 ARG A 74 3.015 -9.769 -24.076 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.431 -9.020 -24.064 1.00 0.00 H new ATOM 0 HE ARG A 74 2.921 -7.109 -25.374 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.616 -10.618 -25.799 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.951 -10.558 -27.532 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.352 -7.030 -27.616 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.368 -8.521 -28.564 1.00 0.00 H new ATOM 939 N ASP A 75 0.612 -7.321 -19.864 1.00 0.00 N ATOM 940 CA ASP A 75 -0.605 -6.534 -19.756 1.00 0.00 C ATOM 941 C ASP A 75 -0.475 -5.561 -18.583 1.00 0.00 C ATOM 942 O ASP A 75 -1.036 -4.467 -18.614 1.00 0.00 O ATOM 943 CB ASP A 75 -1.818 -7.429 -19.496 1.00 0.00 C ATOM 944 CG ASP A 75 -3.175 -6.751 -19.691 1.00 0.00 C ATOM 945 OD1 ASP A 75 -3.650 -6.008 -18.818 1.00 0.00 O ATOM 946 OD2 ASP A 75 -3.761 -7.014 -20.810 1.00 0.00 O ATOM 0 H ASP A 75 0.532 -8.279 -19.523 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.746 -6.000 -20.696 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.762 -8.293 -20.158 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.760 -7.806 -18.475 1.00 0.00 H new ATOM 952 N ALA A 76 0.268 -5.995 -17.575 1.00 0.00 N ATOM 953 CA ALA A 76 0.479 -5.175 -16.394 1.00 0.00 C ATOM 954 C ALA A 76 1.144 -3.860 -16.803 1.00 0.00 C ATOM 955 O ALA A 76 0.671 -2.783 -16.442 1.00 0.00 O ATOM 956 CB ALA A 76 1.309 -5.956 -15.372 1.00 0.00 C ATOM 0 H ALA A 76 0.731 -6.904 -17.552 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.472 -4.930 -15.922 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.468 -5.341 -14.486 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.779 -6.866 -15.092 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.273 -6.217 -15.809 1.00 0.00 H new ATOM 962 N ILE A 77 2.230 -3.990 -17.550 1.00 0.00 N ATOM 963 CA ILE A 77 2.965 -2.825 -18.012 1.00 0.00 C ATOM 964 C ILE A 77 2.156 -2.116 -19.100 1.00 0.00 C ATOM 965 O ILE A 77 1.910 -0.914 -19.012 1.00 0.00 O ATOM 966 CB ILE A 77 4.375 -3.221 -18.453 1.00 0.00 C ATOM 967 CG1 ILE A 77 5.021 -4.169 -17.440 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.237 -1.983 -18.710 1.00 0.00 C ATOM 969 CD1 ILE A 77 5.908 -5.199 -18.141 1.00 0.00 C ATOM 0 H ILE A 77 2.619 -4.885 -17.847 1.00 0.00 H new ATOM 0 HA ILE A 77 3.100 -2.112 -17.199 1.00 0.00 H new ATOM 0 HB ILE A 77 4.298 -3.762 -19.396 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.616 -3.596 -16.728 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.246 -4.680 -16.869 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.234 -2.293 -19.022 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.782 -1.379 -19.495 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.309 -1.394 -17.796 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.355 -5.860 -17.398 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.306 -5.786 -18.834 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.697 -4.686 -18.691 1.00 0.00 H new ATOM 981 N LYS A 78 1.766 -2.890 -20.102 1.00 0.00 N ATOM 982 CA LYS A 78 0.991 -2.352 -21.206 1.00 0.00 C ATOM 983 C LYS A 78 -0.242 -1.633 -20.655 1.00 0.00 C ATOM 984 O LYS A 78 -0.741 -0.690 -21.268 1.00 0.00 O ATOM 985 CB LYS A 78 0.661 -3.453 -22.216 1.00 0.00 C ATOM 986 CG LYS A 78 -0.088 -2.883 -23.423 1.00 0.00 C ATOM 987 CD LYS A 78 0.886 -2.461 -24.524 1.00 0.00 C ATOM 988 CE LYS A 78 1.387 -3.675 -25.309 1.00 0.00 C ATOM 989 NZ LYS A 78 1.790 -3.278 -26.676 1.00 0.00 N ATOM 0 H LYS A 78 1.973 -3.886 -20.172 1.00 0.00 H new ATOM 0 HA LYS A 78 1.573 -1.612 -21.755 1.00 0.00 H new ATOM 0 HB2 LYS A 78 1.581 -3.934 -22.548 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.054 -4.221 -21.737 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.780 -3.630 -23.812 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.685 -2.026 -23.113 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.394 -1.763 -25.202 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.732 -1.934 -24.083 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.233 -4.127 -24.791 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.604 -4.431 -25.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.127 -4.114 -27.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.974 -2.868 -27.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.553 -2.573 -26.622 1.00 0.00 H new ATOM 1003 N ASP A 79 -0.699 -2.106 -19.505 1.00 0.00 N ATOM 1004 CA ASP A 79 -1.864 -1.520 -18.864 1.00 0.00 C ATOM 1005 C ASP A 79 -1.482 -0.168 -18.259 1.00 0.00 C ATOM 1006 O ASP A 79 -2.174 0.828 -18.467 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.380 -2.415 -17.736 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.321 -1.727 -16.744 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -4.380 -1.206 -17.125 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -2.924 -1.740 -15.517 1.00 0.00 O ATOM 0 H ASP A 79 -0.283 -2.889 -19.000 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.643 -1.406 -19.618 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.900 -3.266 -18.176 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.526 -2.812 -17.188 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.382 -0.176 -17.520 1.00 0.00 N ATOM 1017 CA ALA A 80 0.101 1.038 -16.883 1.00 0.00 C ATOM 1018 C ALA A 80 0.364 2.100 -17.952 1.00 0.00 C ATOM 1019 O ALA A 80 -0.018 3.258 -17.789 1.00 0.00 O ATOM 1020 CB ALA A 80 1.349 0.719 -16.057 1.00 0.00 C ATOM 0 H ALA A 80 0.189 -1.004 -17.348 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.648 1.438 -16.200 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.712 1.629 -15.579 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.101 -0.018 -15.293 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.125 0.318 -16.710 1.00 0.00 H new ATOM 1026 N TYR A 81 1.014 1.668 -19.022 1.00 0.00 N ATOM 1027 CA TYR A 81 1.333 2.568 -20.118 1.00 0.00 C ATOM 1028 C TYR A 81 0.061 3.148 -20.739 1.00 0.00 C ATOM 1029 O TYR A 81 -0.036 4.356 -20.951 1.00 0.00 O ATOM 1030 CB TYR A 81 2.056 1.718 -21.165 1.00 0.00 C ATOM 1031 CG TYR A 81 3.550 1.534 -20.893 1.00 0.00 C ATOM 1032 CD1 TYR A 81 3.975 1.051 -19.672 1.00 0.00 C ATOM 1033 CD2 TYR A 81 4.473 1.851 -21.869 1.00 0.00 C ATOM 1034 CE1 TYR A 81 5.381 0.877 -19.416 1.00 0.00 C ATOM 1035 CE2 TYR A 81 5.880 1.677 -21.613 1.00 0.00 C ATOM 1036 CZ TYR A 81 6.264 1.199 -20.399 1.00 0.00 C ATOM 1037 OH TYR A 81 7.593 1.035 -20.157 1.00 0.00 O ATOM 0 H TYR A 81 1.329 0.707 -19.154 1.00 0.00 H new ATOM 0 HA TYR A 81 1.940 3.402 -19.765 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.582 0.737 -21.212 1.00 0.00 H new ATOM 0 HB3 TYR A 81 1.930 2.181 -22.144 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.253 0.803 -18.908 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.141 2.229 -22.824 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.727 0.499 -18.465 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.613 1.921 -22.368 1.00 0.00 H new ATOM 0 HH TYR A 81 7.739 0.921 -19.195 1.00 0.00 H new ATOM 1047 N GLU A 82 -0.884 2.260 -21.013 1.00 0.00 N ATOM 1048 CA GLU A 82 -2.146 2.668 -21.606 1.00 0.00 C ATOM 1049 C GLU A 82 -2.983 3.445 -20.588 1.00 0.00 C ATOM 1050 O GLU A 82 -3.840 4.244 -20.964 1.00 0.00 O ATOM 1051 CB GLU A 82 -2.916 1.460 -22.142 1.00 0.00 C ATOM 1052 CG GLU A 82 -4.116 1.904 -22.981 1.00 0.00 C ATOM 1053 CD GLU A 82 -3.665 2.726 -24.190 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -4.226 3.800 -24.453 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -2.695 2.214 -24.867 1.00 0.00 O ATOM 0 H GLU A 82 -0.801 1.259 -20.835 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.934 3.325 -22.450 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.254 0.841 -22.747 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.257 0.843 -21.310 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.672 1.029 -23.318 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.795 2.496 -22.367 1.00 0.00 H new ATOM 1063 N SER A 83 -2.707 3.183 -19.319 1.00 0.00 N ATOM 1064 CA SER A 83 -3.424 3.848 -18.244 1.00 0.00 C ATOM 1065 C SER A 83 -3.065 5.335 -18.216 1.00 0.00 C ATOM 1066 O SER A 83 -3.946 6.189 -18.138 1.00 0.00 O ATOM 1067 CB SER A 83 -3.114 3.201 -16.893 1.00 0.00 C ATOM 1068 OG SER A 83 -3.723 3.904 -15.812 1.00 0.00 O ATOM 0 H SER A 83 -1.997 2.519 -19.011 1.00 0.00 H new ATOM 0 HA SER A 83 -4.493 3.743 -18.430 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.463 2.169 -16.897 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.035 3.172 -16.744 1.00 0.00 H new ATOM 0 HG SER A 83 -3.503 3.459 -14.967 1.00 0.00 H new ATOM 1074 N TYR A 84 -1.768 5.598 -18.281 1.00 0.00 N ATOM 1075 CA TYR A 84 -1.281 6.967 -18.264 1.00 0.00 C ATOM 1076 C TYR A 84 -0.990 7.464 -19.681 1.00 0.00 C ATOM 1077 O TYR A 84 -0.636 8.626 -19.876 1.00 0.00 O ATOM 1078 CB TYR A 84 0.025 6.940 -17.468 1.00 0.00 C ATOM 1079 CG TYR A 84 -0.168 6.760 -15.961 1.00 0.00 C ATOM 1080 CD1 TYR A 84 -0.273 5.493 -15.425 1.00 0.00 C ATOM 1081 CD2 TYR A 84 -0.237 7.865 -15.137 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -0.454 5.323 -14.007 1.00 0.00 C ATOM 1083 CE2 TYR A 84 -0.419 7.696 -13.719 1.00 0.00 C ATOM 1084 CZ TYR A 84 -0.518 6.433 -13.223 1.00 0.00 C ATOM 1085 OH TYR A 84 -0.690 6.273 -11.884 1.00 0.00 O ATOM 0 H TYR A 84 -1.040 4.887 -18.345 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.025 7.633 -17.826 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.650 6.130 -17.843 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.566 7.869 -17.646 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.219 4.628 -16.070 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -0.154 8.857 -15.556 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.537 4.337 -13.575 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.476 8.553 -13.064 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.716 7.151 -11.450 1.00 0.00 H new ATOM 1095 N CYS A 85 -1.151 6.558 -20.635 1.00 0.00 N ATOM 1096 CA CYS A 85 -0.910 6.890 -22.030 1.00 0.00 C ATOM 1097 C CYS A 85 -1.644 8.194 -22.347 1.00 0.00 C ATOM 1098 O CYS A 85 -2.751 8.422 -21.860 1.00 0.00 O ATOM 1099 CB CYS A 85 -1.334 5.754 -22.962 1.00 0.00 C ATOM 1100 SG CYS A 85 -1.632 6.405 -24.647 1.00 0.00 S ATOM 0 H CYS A 85 -1.445 5.595 -20.470 1.00 0.00 H new ATOM 0 HA CYS A 85 0.159 7.027 -22.195 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.559 4.988 -22.991 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.238 5.279 -22.582 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.990 5.432 -25.431 1.00 0.00 H new ATOM 1106 N GLY A 86 -1.000 9.015 -23.162 1.00 0.00 N ATOM 1107 CA GLY A 86 -1.578 10.290 -23.551 1.00 0.00 C ATOM 1108 C GLY A 86 -0.965 11.438 -22.746 1.00 0.00 C ATOM 1109 O GLY A 86 -1.368 12.591 -22.897 1.00 0.00 O ATOM 0 H GLY A 86 -0.083 8.822 -23.564 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.413 10.459 -24.615 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.657 10.267 -23.395 1.00 0.00 H new ATOM 1113 N ILE A 87 -0.002 11.083 -21.909 1.00 0.00 N ATOM 1114 CA ILE A 87 0.671 12.069 -21.080 1.00 0.00 C ATOM 1115 C ILE A 87 2.182 11.959 -21.288 1.00 0.00 C ATOM 1116 O ILE A 87 2.789 10.948 -20.935 1.00 0.00 O ATOM 1117 CB ILE A 87 0.238 11.926 -19.620 1.00 0.00 C ATOM 1118 CG1 ILE A 87 1.015 10.805 -18.926 1.00 0.00 C ATOM 1119 CG2 ILE A 87 -1.275 11.727 -19.513 1.00 0.00 C ATOM 1120 CD1 ILE A 87 0.303 10.353 -17.649 1.00 0.00 C ATOM 0 H ILE A 87 0.329 10.126 -21.787 1.00 0.00 H new ATOM 0 HA ILE A 87 0.382 13.077 -21.376 1.00 0.00 H new ATOM 0 HB ILE A 87 0.477 12.854 -19.100 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.124 9.959 -19.605 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.020 11.150 -18.683 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.556 11.628 -18.464 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.787 12.587 -19.946 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.562 10.824 -20.052 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.876 9.556 -17.176 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.217 11.195 -16.963 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.692 9.985 -17.898 1.00 0.00 H new ATOM 1132 N ASP A 88 2.748 13.012 -21.860 1.00 0.00 N ATOM 1133 CA ASP A 88 4.177 13.046 -22.119 1.00 0.00 C ATOM 1134 C ASP A 88 4.877 13.809 -20.993 1.00 0.00 C ATOM 1135 O ASP A 88 6.099 13.748 -20.862 1.00 0.00 O ATOM 1136 CB ASP A 88 4.481 13.762 -23.436 1.00 0.00 C ATOM 1137 CG ASP A 88 3.536 14.915 -23.779 1.00 0.00 C ATOM 1138 OD1 ASP A 88 2.571 14.745 -24.538 1.00 0.00 O ATOM 1139 OD2 ASP A 88 3.827 16.042 -23.222 1.00 0.00 O ATOM 0 H ASP A 88 2.242 13.848 -22.151 1.00 0.00 H new ATOM 0 HA ASP A 88 4.534 12.018 -22.177 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.500 14.147 -23.396 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.448 13.032 -24.245 1.00 0.00 H new ATOM 1145 N ASP A 89 4.073 14.511 -20.208 1.00 0.00 N ATOM 1146 CA ASP A 89 4.600 15.286 -19.097 1.00 0.00 C ATOM 1147 C ASP A 89 3.536 15.388 -18.002 1.00 0.00 C ATOM 1148 O ASP A 89 2.389 15.739 -18.277 1.00 0.00 O ATOM 1149 CB ASP A 89 4.962 16.705 -19.539 1.00 0.00 C ATOM 1150 CG ASP A 89 6.330 16.845 -20.210 1.00 0.00 C ATOM 1151 OD1 ASP A 89 7.258 16.070 -19.935 1.00 0.00 O ATOM 1152 OD2 ASP A 89 6.424 17.811 -21.059 1.00 0.00 O ATOM 0 H ASP A 89 3.060 14.559 -20.319 1.00 0.00 H new ATOM 0 HA ASP A 89 5.495 14.784 -18.729 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.197 17.060 -20.230 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.933 17.359 -18.668 1.00 0.00 H new