USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 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 4 THR OG1 : rot -17:sc= 0.409 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -8.07! C(o=-8.1!,f=-8.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 148:sc= -1.16 (180deg=-2.66!) USER MOD Single : A 18 TYR OH : rot 59:sc= 0.817 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -178:sc= 0.644 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.097 X(o=-0.097,f=-0.097) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.54 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-2.5!) USER MOD Single : A 44 SER OG : rot -173:sc= -0.233 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.634 USER MOD Single : A 63 GLN : amide:sc= -0.523 X(o=-0.52,f=-0.89) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0859 USER MOD Single : A 66 THR OG1 : rot 59:sc= 0.473 USER MOD Single : A 68 HIS : no HD1:sc= -0.96 K(o=-0.96,f=-1.6) USER MOD Single : A 69 TYR OH : rot 30:sc= -0.204 USER MOD Single : A 70 GLN : amide:sc=-0.000348 X(o=-0.00035,f=-0.012) USER MOD Single : A 72 HIS : no HD1:sc= -0.0253 X(o=-0.025,f=-0.19) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 2.276 3.657 -10.644 1.00 12.41 N ATOM 49 CA THR A 4 2.390 4.320 -11.937 1.00 10.33 C ATOM 50 C THR A 4 1.208 3.978 -12.836 1.00 53.52 C ATOM 51 O THR A 4 0.447 3.053 -12.552 1.00 14.24 O ATOM 52 CB THR A 4 3.696 3.931 -12.655 1.00 30.45 C ATOM 53 OG1 THR A 4 3.982 2.545 -12.434 1.00 13.04 O ATOM 54 CG2 THR A 4 4.859 4.778 -12.161 1.00 14.43 C ATOM 0 HA THR A 4 2.397 5.392 -11.743 1.00 10.33 H new ATOM 0 HB THR A 4 3.565 4.110 -13.722 1.00 30.45 H new ATOM 0 HG1 THR A 4 3.456 2.220 -11.674 1.00 13.04 H new ATOM 0 HG21 THR A 4 5.770 4.485 -12.683 1.00 14.43 H new ATOM 0 HG22 THR A 4 4.652 5.830 -12.356 1.00 14.43 H new ATOM 0 HG23 THR A 4 4.990 4.627 -11.089 1.00 14.43 H new ATOM 62 N ILE A 5 1.060 4.730 -13.922 1.00 72.31 N ATOM 63 CA ILE A 5 -0.030 4.504 -14.864 1.00 5.01 C ATOM 64 C ILE A 5 0.195 3.228 -15.668 1.00 53.13 C ATOM 65 O ILE A 5 1.227 2.570 -15.534 1.00 61.22 O ATOM 66 CB ILE A 5 -0.188 5.689 -15.835 1.00 74.43 C ATOM 67 CG1 ILE A 5 0.807 5.566 -16.991 1.00 74.41 C ATOM 68 CG2 ILE A 5 0.006 7.006 -15.100 1.00 12.21 C ATOM 69 CD1 ILE A 5 2.245 5.439 -16.539 1.00 52.35 C ATOM 0 H ILE A 5 1.680 5.500 -14.171 1.00 72.31 H new ATOM 0 HA ILE A 5 -0.942 4.403 -14.275 1.00 5.01 H new ATOM 0 HB ILE A 5 -1.197 5.670 -16.246 1.00 74.43 H new ATOM 0 HG12 ILE A 5 0.546 4.696 -17.594 1.00 74.41 H new ATOM 0 HG13 ILE A 5 0.713 6.440 -17.635 1.00 74.41 H new ATOM 0 HG21 ILE A 5 -0.109 7.834 -15.800 1.00 12.21 H new ATOM 0 HG22 ILE A 5 -0.738 7.094 -14.309 1.00 12.21 H new ATOM 0 HG23 ILE A 5 1.004 7.036 -14.664 1.00 12.21 H new ATOM 0 HD11 ILE A 5 2.894 5.356 -17.411 1.00 52.35 H new ATOM 0 HD12 ILE A 5 2.524 6.320 -15.961 1.00 52.35 H new ATOM 0 HD13 ILE A 5 2.354 4.549 -15.919 1.00 52.35 H new ATOM 81 N LEU A 6 -0.778 2.885 -16.506 1.00 24.12 N ATOM 82 CA LEU A 6 -0.686 1.688 -17.335 1.00 34.02 C ATOM 83 C LEU A 6 -1.701 1.735 -18.473 1.00 33.15 C ATOM 84 O LEU A 6 -1.389 1.390 -19.611 1.00 70.52 O ATOM 85 CB LEU A 6 -0.913 0.437 -16.485 1.00 34.50 C ATOM 86 CG LEU A 6 -0.808 -0.901 -17.218 1.00 62.13 C ATOM 87 CD1 LEU A 6 -0.102 -1.931 -16.351 1.00 23.34 C ATOM 88 CD2 LEU A 6 -2.188 -1.398 -17.623 1.00 11.11 C ATOM 0 H LEU A 6 -1.639 3.418 -16.629 1.00 24.12 H new ATOM 0 HA LEU A 6 0.314 1.650 -17.766 1.00 34.02 H new ATOM 0 HB2 LEU A 6 -0.189 0.440 -15.670 1.00 34.50 H new ATOM 0 HB3 LEU A 6 -1.903 0.504 -16.033 1.00 34.50 H new ATOM 0 HG LEU A 6 -0.218 -0.752 -18.122 1.00 62.13 H new ATOM 0 HD11 LEU A 6 -0.037 -2.876 -16.889 1.00 23.34 H new ATOM 0 HD12 LEU A 6 0.902 -1.579 -16.112 1.00 23.34 H new ATOM 0 HD13 LEU A 6 -0.664 -2.077 -15.429 1.00 23.34 H new ATOM 0 HD21 LEU A 6 -2.093 -2.351 -18.143 1.00 11.11 H new ATOM 0 HD22 LEU A 6 -2.803 -1.530 -16.733 1.00 11.11 H new ATOM 0 HD23 LEU A 6 -2.658 -0.669 -18.284 1.00 11.11 H new ATOM 100 N GLY A 7 -2.918 2.167 -18.156 1.00 13.11 N ATOM 101 CA GLY A 7 -3.960 2.254 -19.163 1.00 20.54 C ATOM 102 C GLY A 7 -4.289 3.686 -19.535 1.00 65.44 C ATOM 103 O GLY A 7 -3.973 4.615 -18.792 1.00 42.33 O ATOM 0 H GLY A 7 -3.201 2.458 -17.220 1.00 13.11 H new ATOM 0 HA2 GLY A 7 -3.645 1.713 -20.055 1.00 20.54 H new ATOM 0 HA3 GLY A 7 -4.860 1.762 -18.794 1.00 20.54 H new ATOM 107 N ILE A 8 -4.922 3.864 -20.689 1.00 54.34 N ATOM 108 CA ILE A 8 -5.293 5.193 -21.159 1.00 42.51 C ATOM 109 C ILE A 8 -6.699 5.196 -21.749 1.00 12.15 C ATOM 110 O ILE A 8 -7.032 4.360 -22.588 1.00 11.03 O ATOM 111 CB ILE A 8 -4.303 5.712 -22.219 1.00 52.11 C ATOM 112 CG1 ILE A 8 -4.743 7.085 -22.730 1.00 50.54 C ATOM 113 CG2 ILE A 8 -4.193 4.723 -23.370 1.00 21.13 C ATOM 114 CD1 ILE A 8 -3.816 7.667 -23.775 1.00 31.40 C ATOM 0 H ILE A 8 -5.189 3.105 -21.316 1.00 54.34 H new ATOM 0 HA ILE A 8 -5.264 5.853 -20.292 1.00 42.51 H new ATOM 0 HB ILE A 8 -3.321 5.814 -21.758 1.00 52.11 H new ATOM 0 HG12 ILE A 8 -5.745 7.003 -23.150 1.00 50.54 H new ATOM 0 HG13 ILE A 8 -4.806 7.774 -21.888 1.00 50.54 H new ATOM 0 HG21 ILE A 8 -3.490 5.104 -24.111 1.00 21.13 H new ATOM 0 HG22 ILE A 8 -3.839 3.764 -22.993 1.00 21.13 H new ATOM 0 HG23 ILE A 8 -5.172 4.592 -23.832 1.00 21.13 H new ATOM 0 HD11 ILE A 8 -4.190 8.641 -24.091 1.00 31.40 H new ATOM 0 HD12 ILE A 8 -2.818 7.781 -23.353 1.00 31.40 H new ATOM 0 HD13 ILE A 8 -3.772 6.999 -24.635 1.00 31.40 H new ATOM 126 N GLU A 9 -7.520 6.143 -21.304 1.00 44.11 N ATOM 127 CA GLU A 9 -8.890 6.255 -21.789 1.00 32.30 C ATOM 128 C GLU A 9 -9.266 7.714 -22.028 1.00 45.42 C ATOM 129 O GLU A 9 -9.133 8.555 -21.139 1.00 32.15 O ATOM 130 CB GLU A 9 -9.862 5.624 -20.789 1.00 5.32 C ATOM 131 CG GLU A 9 -10.160 4.161 -21.069 1.00 44.04 C ATOM 132 CD GLU A 9 -11.278 3.976 -22.076 1.00 51.24 C ATOM 133 OE1 GLU A 9 -10.985 3.955 -23.290 1.00 70.43 O ATOM 134 OE2 GLU A 9 -12.446 3.854 -21.651 1.00 63.43 O ATOM 0 H GLU A 9 -7.260 6.843 -20.609 1.00 44.11 H new ATOM 0 HA GLU A 9 -8.957 5.721 -22.737 1.00 32.30 H new ATOM 0 HB2 GLU A 9 -9.447 5.716 -19.785 1.00 5.32 H new ATOM 0 HB3 GLU A 9 -10.797 6.185 -20.800 1.00 5.32 H new ATOM 0 HG2 GLU A 9 -9.258 3.675 -21.440 1.00 44.04 H new ATOM 0 HG3 GLU A 9 -10.430 3.664 -20.137 1.00 44.04 H new ATOM 141 N VAL A 10 -9.734 8.008 -23.237 1.00 11.41 N ATOM 142 CA VAL A 10 -10.129 9.365 -23.594 1.00 53.54 C ATOM 143 C VAL A 10 -11.502 9.706 -23.024 1.00 45.52 C ATOM 144 O VAL A 10 -12.457 8.947 -23.183 1.00 54.44 O ATOM 145 CB VAL A 10 -10.158 9.558 -25.122 1.00 73.43 C ATOM 146 CG1 VAL A 10 -11.174 8.621 -25.759 1.00 41.32 C ATOM 147 CG2 VAL A 10 -10.464 11.006 -25.471 1.00 14.30 C ATOM 0 H VAL A 10 -9.849 7.325 -23.985 1.00 11.41 H new ATOM 0 HA VAL A 10 -9.384 10.034 -23.165 1.00 53.54 H new ATOM 0 HB VAL A 10 -9.173 9.313 -25.520 1.00 73.43 H new ATOM 0 HG11 VAL A 10 -11.181 8.771 -26.839 1.00 41.32 H new ATOM 0 HG12 VAL A 10 -10.905 7.588 -25.538 1.00 41.32 H new ATOM 0 HG13 VAL A 10 -12.165 8.832 -25.357 1.00 41.32 H new ATOM 0 HG21 VAL A 10 -10.480 11.123 -26.555 1.00 14.30 H new ATOM 0 HG22 VAL A 10 -11.436 11.281 -25.061 1.00 14.30 H new ATOM 0 HG23 VAL A 10 -9.695 11.653 -25.048 1.00 14.30 H new ATOM 157 N SER A 11 -11.591 10.854 -22.359 1.00 75.21 N ATOM 158 CA SER A 11 -12.846 11.295 -21.762 1.00 35.33 C ATOM 159 C SER A 11 -12.975 12.814 -21.826 1.00 62.42 C ATOM 160 O SER A 11 -13.663 13.424 -21.008 1.00 60.44 O ATOM 161 CB SER A 11 -12.937 10.825 -20.308 1.00 43.14 C ATOM 162 OG SER A 11 -14.286 10.650 -19.912 1.00 62.30 O ATOM 0 H SER A 11 -10.810 11.495 -22.220 1.00 75.21 H new ATOM 0 HA SER A 11 -13.664 10.854 -22.331 1.00 35.33 H new ATOM 0 HB2 SER A 11 -12.396 9.886 -20.192 1.00 43.14 H new ATOM 0 HB3 SER A 11 -12.455 11.554 -19.656 1.00 43.14 H new ATOM 0 HG SER A 11 -14.317 10.348 -18.980 1.00 62.30 H new ATOM 168 N GLN A 12 -12.307 13.417 -22.804 1.00 62.54 N ATOM 169 CA GLN A 12 -12.345 14.864 -22.976 1.00 12.04 C ATOM 170 C GLN A 12 -13.396 15.263 -24.006 1.00 74.53 C ATOM 171 O GLN A 12 -13.453 14.698 -25.098 1.00 34.30 O ATOM 172 CB GLN A 12 -10.972 15.385 -23.403 1.00 22.22 C ATOM 173 CG GLN A 12 -10.390 14.654 -24.602 1.00 20.11 C ATOM 174 CD GLN A 12 -9.350 13.623 -24.209 1.00 11.11 C ATOM 175 OE1 GLN A 12 -9.450 12.994 -23.155 1.00 11.21 O ATOM 176 NE2 GLN A 12 -8.344 13.444 -25.056 1.00 43.15 N ATOM 0 H GLN A 12 -11.733 12.926 -23.489 1.00 62.54 H new ATOM 0 HA GLN A 12 -12.613 15.311 -22.019 1.00 12.04 H new ATOM 0 HB2 GLN A 12 -11.053 16.446 -23.639 1.00 22.22 H new ATOM 0 HB3 GLN A 12 -10.282 15.296 -22.564 1.00 22.22 H new ATOM 0 HG2 GLN A 12 -11.195 14.162 -25.149 1.00 20.11 H new ATOM 0 HG3 GLN A 12 -9.940 15.378 -25.281 1.00 20.11 H new ATOM 0 HE21 GLN A 12 -8.301 13.987 -25.918 1.00 43.15 H new ATOM 0 HE22 GLN A 12 -7.614 12.763 -24.845 1.00 43.15 H new ATOM 185 N GLU A 13 -14.226 16.238 -23.651 1.00 53.41 N ATOM 186 CA GLU A 13 -15.276 16.711 -24.546 1.00 33.21 C ATOM 187 C GLU A 13 -14.926 18.080 -25.121 1.00 0.45 C ATOM 188 O GLU A 13 -14.194 18.866 -24.518 1.00 21.31 O ATOM 189 CB GLU A 13 -16.614 16.783 -23.806 1.00 24.12 C ATOM 190 CG GLU A 13 -17.232 15.422 -23.533 1.00 12.34 C ATOM 191 CD GLU A 13 -18.160 14.970 -24.643 1.00 72.22 C ATOM 192 OE1 GLU A 13 -17.686 14.823 -25.789 1.00 65.40 O ATOM 193 OE2 GLU A 13 -19.360 14.763 -24.367 1.00 53.21 O ATOM 0 H GLU A 13 -14.192 16.716 -22.751 1.00 53.41 H new ATOM 0 HA GLU A 13 -15.362 16.002 -25.369 1.00 33.21 H new ATOM 0 HB2 GLU A 13 -16.469 17.303 -22.859 1.00 24.12 H new ATOM 0 HB3 GLU A 13 -17.313 17.379 -24.393 1.00 24.12 H new ATOM 0 HG2 GLU A 13 -16.438 14.686 -23.406 1.00 12.34 H new ATOM 0 HG3 GLU A 13 -17.785 15.460 -22.595 1.00 12.34 H new ATOM 200 N PRO A 14 -15.460 18.375 -26.315 1.00 73.41 N ATOM 201 CA PRO A 14 -15.219 19.649 -26.998 1.00 63.01 C ATOM 202 C PRO A 14 -15.897 20.821 -26.296 1.00 72.55 C ATOM 203 O PRO A 14 -17.082 20.759 -25.967 1.00 51.04 O ATOM 204 CB PRO A 14 -15.829 19.430 -28.385 1.00 33.35 C ATOM 205 CG PRO A 14 -16.867 18.380 -28.180 1.00 3.21 C ATOM 206 CD PRO A 14 -16.342 17.486 -27.091 1.00 0.13 C ATOM 0 HA PRO A 14 -14.160 19.905 -27.019 1.00 63.01 H new ATOM 0 HB2 PRO A 14 -16.267 20.349 -28.775 1.00 33.35 H new ATOM 0 HB3 PRO A 14 -15.075 19.107 -29.103 1.00 33.35 H new ATOM 0 HG2 PRO A 14 -17.820 18.824 -27.894 1.00 3.21 H new ATOM 0 HG3 PRO A 14 -17.040 17.817 -29.098 1.00 3.21 H new ATOM 0 HD2 PRO A 14 -17.148 17.084 -26.477 1.00 0.13 H new ATOM 0 HD3 PRO A 14 -15.797 16.634 -27.498 1.00 0.13 H new ATOM 214 N LYS A 15 -15.139 21.888 -26.070 1.00 53.12 N ATOM 215 CA LYS A 15 -15.667 23.076 -25.409 1.00 71.41 C ATOM 216 C LYS A 15 -14.670 24.227 -25.482 1.00 2.52 C ATOM 217 O LYS A 15 -14.776 25.101 -26.342 1.00 54.54 O ATOM 218 CB LYS A 15 -15.999 22.766 -23.948 1.00 21.24 C ATOM 219 CG LYS A 15 -17.475 22.506 -23.701 1.00 1.22 C ATOM 220 CD LYS A 15 -18.101 23.606 -22.860 1.00 35.55 C ATOM 221 CE LYS A 15 -19.422 23.158 -22.252 1.00 55.55 C ATOM 222 NZ LYS A 15 -20.483 23.003 -23.286 1.00 34.11 N ATOM 0 H LYS A 15 -14.156 21.955 -26.335 1.00 53.12 H new ATOM 0 HA LYS A 15 -16.578 23.375 -25.927 1.00 71.41 H new ATOM 0 HB2 LYS A 15 -15.427 21.894 -23.632 1.00 21.24 H new ATOM 0 HB3 LYS A 15 -15.677 23.601 -23.326 1.00 21.24 H new ATOM 0 HG2 LYS A 15 -17.997 22.434 -24.655 1.00 1.22 H new ATOM 0 HG3 LYS A 15 -17.597 21.547 -23.197 1.00 1.22 H new ATOM 0 HD2 LYS A 15 -17.413 23.895 -22.066 1.00 35.55 H new ATOM 0 HD3 LYS A 15 -18.264 24.489 -23.477 1.00 35.55 H new ATOM 0 HE2 LYS A 15 -19.280 22.211 -21.732 1.00 55.55 H new ATOM 0 HE3 LYS A 15 -19.744 23.885 -21.507 1.00 55.55 H new ATOM 0 HZ1 LYS A 15 -21.367 22.697 -22.833 1.00 34.11 H new ATOM 0 HZ2 LYS A 15 -20.637 23.913 -23.765 1.00 34.11 H new ATOM 0 HZ3 LYS A 15 -20.187 22.291 -23.983 1.00 34.11 H new ATOM 236 N LYS A 16 -13.699 24.222 -24.574 1.00 54.02 N ATOM 237 CA LYS A 16 -12.681 25.264 -24.536 1.00 45.44 C ATOM 238 C LYS A 16 -13.308 26.645 -24.698 1.00 55.12 C ATOM 239 O LYS A 16 -12.731 27.530 -25.331 1.00 32.43 O ATOM 240 CB LYS A 16 -11.643 25.032 -25.637 1.00 40.22 C ATOM 241 CG LYS A 16 -10.209 25.203 -25.167 1.00 41.20 C ATOM 242 CD LYS A 16 -9.235 24.458 -26.064 1.00 72.43 C ATOM 243 CE LYS A 16 -9.371 22.951 -25.904 1.00 11.22 C ATOM 244 NZ LYS A 16 -8.318 22.391 -25.012 1.00 14.34 N ATOM 0 H LYS A 16 -13.596 23.507 -23.854 1.00 54.02 H new ATOM 0 HA LYS A 16 -12.189 25.220 -23.565 1.00 45.44 H new ATOM 0 HB2 LYS A 16 -11.768 24.025 -26.036 1.00 40.22 H new ATOM 0 HB3 LYS A 16 -11.833 25.726 -26.456 1.00 40.22 H new ATOM 0 HG2 LYS A 16 -9.954 26.263 -25.153 1.00 41.20 H new ATOM 0 HG3 LYS A 16 -10.115 24.838 -24.144 1.00 41.20 H new ATOM 0 HD2 LYS A 16 -9.414 24.732 -27.104 1.00 72.43 H new ATOM 0 HD3 LYS A 16 -8.215 24.760 -25.825 1.00 72.43 H new ATOM 0 HE2 LYS A 16 -10.354 22.716 -25.497 1.00 11.22 H new ATOM 0 HE3 LYS A 16 -9.309 22.475 -26.883 1.00 11.22 H new ATOM 0 HZ1 LYS A 16 -8.698 21.570 -24.499 1.00 14.34 H new ATOM 0 HZ2 LYS A 16 -7.501 22.094 -25.583 1.00 14.34 H new ATOM 0 HZ3 LYS A 16 -8.018 23.117 -24.330 1.00 14.34 H new ATOM 258 N ASP A 17 -14.492 26.823 -24.122 1.00 31.21 N ATOM 259 CA ASP A 17 -15.197 28.097 -24.200 1.00 60.01 C ATOM 260 C ASP A 17 -15.182 28.810 -22.851 1.00 72.25 C ATOM 261 O ASP A 17 -15.622 28.259 -21.842 1.00 0.01 O ATOM 262 CB ASP A 17 -16.639 27.879 -24.660 1.00 33.11 C ATOM 263 CG ASP A 17 -16.734 27.566 -26.140 1.00 40.03 C ATOM 264 OD1 ASP A 17 -16.018 28.216 -26.930 1.00 61.45 O ATOM 265 OD2 ASP A 17 -17.525 26.672 -26.509 1.00 2.22 O ATOM 0 H ASP A 17 -14.984 26.101 -23.596 1.00 31.21 H new ATOM 0 HA ASP A 17 -14.683 28.725 -24.928 1.00 60.01 H new ATOM 0 HB2 ASP A 17 -17.079 27.061 -24.090 1.00 33.11 H new ATOM 0 HB3 ASP A 17 -17.226 28.771 -24.442 1.00 33.11 H new ATOM 270 N TYR A 18 -14.673 30.037 -22.842 1.00 60.42 N ATOM 271 CA TYR A 18 -14.597 30.824 -21.617 1.00 74.41 C ATOM 272 C TYR A 18 -14.905 32.292 -21.893 1.00 52.22 C ATOM 273 O TYR A 18 -14.738 32.774 -23.014 1.00 71.15 O ATOM 274 CB TYR A 18 -13.210 30.692 -20.986 1.00 34.51 C ATOM 275 CG TYR A 18 -13.175 29.766 -19.791 1.00 64.20 C ATOM 276 CD1 TYR A 18 -13.363 28.397 -19.942 1.00 11.30 C ATOM 277 CD2 TYR A 18 -12.953 30.259 -18.511 1.00 54.12 C ATOM 278 CE1 TYR A 18 -13.332 27.548 -18.853 1.00 61.42 C ATOM 279 CE2 TYR A 18 -12.919 29.417 -17.417 1.00 31.20 C ATOM 280 CZ TYR A 18 -13.109 28.062 -17.593 1.00 31.01 C ATOM 281 OH TYR A 18 -13.077 27.220 -16.505 1.00 71.32 O ATOM 0 H TYR A 18 -14.307 30.508 -23.669 1.00 60.42 H new ATOM 0 HA TYR A 18 -15.343 30.439 -20.921 1.00 74.41 H new ATOM 0 HB2 TYR A 18 -12.511 30.327 -21.738 1.00 34.51 H new ATOM 0 HB3 TYR A 18 -12.863 31.679 -20.681 1.00 34.51 H new ATOM 0 HD1 TYR A 18 -13.536 27.990 -20.927 1.00 11.30 H new ATOM 0 HD2 TYR A 18 -12.804 31.319 -18.369 1.00 54.12 H new ATOM 0 HE1 TYR A 18 -13.482 26.487 -18.988 1.00 61.42 H new ATOM 0 HE2 TYR A 18 -12.745 29.817 -16.429 1.00 31.20 H new ATOM 0 HH TYR A 18 -12.370 26.552 -16.629 1.00 71.32 H new ATOM 291 N LEU A 19 -15.355 32.999 -20.863 1.00 12.25 N ATOM 292 CA LEU A 19 -15.686 34.414 -20.992 1.00 13.14 C ATOM 293 C LEU A 19 -14.710 35.276 -20.197 1.00 54.34 C ATOM 294 O LEU A 19 -14.049 34.797 -19.276 1.00 73.43 O ATOM 295 CB LEU A 19 -17.116 34.669 -20.512 1.00 54.14 C ATOM 296 CG LEU A 19 -17.559 33.889 -19.274 1.00 63.41 C ATOM 297 CD1 LEU A 19 -17.833 32.435 -19.629 1.00 5.32 C ATOM 298 CD2 LEU A 19 -16.506 33.983 -18.180 1.00 5.12 C ATOM 0 H LEU A 19 -15.499 32.616 -19.929 1.00 12.25 H new ATOM 0 HA LEU A 19 -15.608 34.686 -22.045 1.00 13.14 H new ATOM 0 HB2 LEU A 19 -17.223 35.733 -20.303 1.00 54.14 H new ATOM 0 HB3 LEU A 19 -17.799 34.434 -21.328 1.00 54.14 H new ATOM 0 HG LEU A 19 -18.483 34.331 -18.901 1.00 63.41 H new ATOM 0 HD11 LEU A 19 -18.147 31.895 -18.736 1.00 5.32 H new ATOM 0 HD12 LEU A 19 -18.623 32.386 -20.379 1.00 5.32 H new ATOM 0 HD13 LEU A 19 -16.926 31.981 -20.027 1.00 5.32 H new ATOM 0 HD21 LEU A 19 -16.838 33.422 -17.306 1.00 5.12 H new ATOM 0 HD22 LEU A 19 -15.566 33.567 -18.543 1.00 5.12 H new ATOM 0 HD23 LEU A 19 -16.358 35.028 -17.906 1.00 5.12 H new ATOM 310 N VAL A 20 -14.627 36.553 -20.559 1.00 63.33 N ATOM 311 CA VAL A 20 -13.734 37.483 -19.879 1.00 13.34 C ATOM 312 C VAL A 20 -13.894 37.390 -18.365 1.00 42.53 C ATOM 313 O VAL A 20 -15.002 37.231 -17.856 1.00 72.40 O ATOM 314 CB VAL A 20 -13.993 38.935 -20.323 1.00 4.31 C ATOM 315 CG1 VAL A 20 -13.491 39.157 -21.742 1.00 11.03 C ATOM 316 CG2 VAL A 20 -15.472 39.270 -20.213 1.00 54.33 C ATOM 0 H VAL A 20 -15.167 36.966 -21.319 1.00 63.33 H new ATOM 0 HA VAL A 20 -12.717 37.203 -20.152 1.00 13.34 H new ATOM 0 HB VAL A 20 -13.443 39.603 -19.660 1.00 4.31 H new ATOM 0 HG11 VAL A 20 -13.683 40.188 -22.039 1.00 11.03 H new ATOM 0 HG12 VAL A 20 -12.420 38.960 -21.784 1.00 11.03 H new ATOM 0 HG13 VAL A 20 -14.011 38.482 -22.422 1.00 11.03 H new ATOM 0 HG21 VAL A 20 -15.636 40.300 -20.531 1.00 54.33 H new ATOM 0 HG22 VAL A 20 -16.046 38.597 -20.851 1.00 54.33 H new ATOM 0 HG23 VAL A 20 -15.796 39.153 -19.179 1.00 54.33 H new ATOM 326 N GLY A 21 -12.777 37.493 -17.650 1.00 72.55 N ATOM 327 CA GLY A 21 -12.815 37.418 -16.202 1.00 4.13 C ATOM 328 C GLY A 21 -12.234 36.122 -15.673 1.00 30.35 C ATOM 329 O GLY A 21 -11.784 36.057 -14.528 1.00 71.54 O ATOM 0 H GLY A 21 -11.848 37.627 -18.048 1.00 72.55 H new ATOM 0 HA2 GLY A 21 -12.261 38.258 -15.783 1.00 4.13 H new ATOM 0 HA3 GLY A 21 -13.846 37.515 -15.863 1.00 4.13 H new ATOM 333 N ASP A 22 -12.245 35.087 -16.506 1.00 11.05 N ATOM 334 CA ASP A 22 -11.716 33.785 -16.115 1.00 11.30 C ATOM 335 C ASP A 22 -10.540 33.388 -17.002 1.00 54.22 C ATOM 336 O ASP A 22 -9.656 32.642 -16.581 1.00 55.21 O ATOM 337 CB ASP A 22 -12.812 32.721 -16.193 1.00 11.41 C ATOM 338 CG ASP A 22 -13.530 32.532 -14.871 1.00 53.12 C ATOM 339 OD1 ASP A 22 -14.531 33.240 -14.633 1.00 34.12 O ATOM 340 OD2 ASP A 22 -13.092 31.676 -14.076 1.00 22.54 O ATOM 0 H ASP A 22 -12.614 35.124 -17.456 1.00 11.05 H new ATOM 0 HA ASP A 22 -11.364 33.857 -15.086 1.00 11.30 H new ATOM 0 HB2 ASP A 22 -13.535 33.003 -16.959 1.00 11.41 H new ATOM 0 HB3 ASP A 22 -12.373 31.773 -16.503 1.00 11.41 H new ATOM 345 N SER A 23 -10.538 33.891 -18.233 1.00 3.04 N ATOM 346 CA SER A 23 -9.473 33.585 -19.181 1.00 74.12 C ATOM 347 C SER A 23 -9.459 32.097 -19.521 1.00 14.55 C ATOM 348 O SER A 23 -10.263 31.322 -19.001 1.00 13.44 O ATOM 349 CB SER A 23 -8.117 34.002 -18.610 1.00 42.01 C ATOM 350 OG SER A 23 -7.556 35.069 -19.355 1.00 14.52 O ATOM 0 H SER A 23 -11.261 34.512 -18.597 1.00 3.04 H new ATOM 0 HA SER A 23 -9.662 34.147 -20.095 1.00 74.12 H new ATOM 0 HB2 SER A 23 -8.234 34.303 -17.569 1.00 42.01 H new ATOM 0 HB3 SER A 23 -7.437 33.150 -18.620 1.00 42.01 H new ATOM 0 HG SER A 23 -6.690 35.318 -18.969 1.00 14.52 H new ATOM 356 N LEU A 24 -8.541 31.706 -20.396 1.00 65.31 N ATOM 357 CA LEU A 24 -8.420 30.311 -20.806 1.00 71.14 C ATOM 358 C LEU A 24 -8.332 29.392 -19.592 1.00 72.23 C ATOM 359 O LEU A 24 -7.519 29.609 -18.694 1.00 43.42 O ATOM 360 CB LEU A 24 -7.187 30.124 -21.692 1.00 71.02 C ATOM 361 CG LEU A 24 -7.422 29.420 -23.029 1.00 64.31 C ATOM 362 CD1 LEU A 24 -6.253 29.662 -23.972 1.00 73.21 C ATOM 363 CD2 LEU A 24 -7.637 27.928 -22.816 1.00 1.43 C ATOM 0 H LEU A 24 -7.869 32.335 -20.836 1.00 65.31 H new ATOM 0 HA LEU A 24 -9.312 30.047 -21.375 1.00 71.14 H new ATOM 0 HB2 LEU A 24 -6.756 31.105 -21.892 1.00 71.02 H new ATOM 0 HB3 LEU A 24 -6.444 29.557 -21.131 1.00 71.02 H new ATOM 0 HG LEU A 24 -8.322 29.835 -23.483 1.00 64.31 H new ATOM 0 HD11 LEU A 24 -6.438 29.154 -24.918 1.00 73.21 H new ATOM 0 HD12 LEU A 24 -6.145 30.732 -24.150 1.00 73.21 H new ATOM 0 HD13 LEU A 24 -5.338 29.274 -23.524 1.00 73.21 H new ATOM 0 HD21 LEU A 24 -7.803 27.443 -23.778 1.00 1.43 H new ATOM 0 HD22 LEU A 24 -6.756 27.498 -22.340 1.00 1.43 H new ATOM 0 HD23 LEU A 24 -8.507 27.773 -22.177 1.00 1.43 H new ATOM 375 N ASP A 25 -9.173 28.364 -19.573 1.00 70.42 N ATOM 376 CA ASP A 25 -9.188 27.409 -18.471 1.00 73.31 C ATOM 377 C ASP A 25 -10.199 26.296 -18.730 1.00 64.55 C ATOM 378 O ASP A 25 -11.071 26.029 -17.903 1.00 13.20 O ATOM 379 CB ASP A 25 -9.519 28.119 -17.157 1.00 74.15 C ATOM 380 CG ASP A 25 -8.816 27.494 -15.968 1.00 54.14 C ATOM 381 OD1 ASP A 25 -9.036 26.291 -15.713 1.00 54.25 O ATOM 382 OD2 ASP A 25 -8.046 28.208 -15.293 1.00 64.43 O ATOM 0 H ASP A 25 -9.853 28.171 -20.308 1.00 70.42 H new ATOM 0 HA ASP A 25 -8.196 26.964 -18.395 1.00 73.31 H new ATOM 0 HB2 ASP A 25 -9.235 29.169 -17.233 1.00 74.15 H new ATOM 0 HB3 ASP A 25 -10.596 28.092 -16.994 1.00 74.15 H new ATOM 387 N LEU A 26 -10.075 25.649 -19.884 1.00 53.14 N ATOM 388 CA LEU A 26 -10.978 24.565 -20.254 1.00 74.41 C ATOM 389 C LEU A 26 -11.120 23.562 -19.114 1.00 34.43 C ATOM 390 O LEU A 26 -10.137 23.196 -18.469 1.00 74.24 O ATOM 391 CB LEU A 26 -10.469 23.857 -21.511 1.00 32.52 C ATOM 392 CG LEU A 26 -10.906 22.402 -21.685 1.00 71.41 C ATOM 393 CD1 LEU A 26 -11.259 22.120 -23.138 1.00 4.55 C ATOM 394 CD2 LEU A 26 -9.814 21.456 -21.207 1.00 32.24 C ATOM 0 H LEU A 26 -9.358 25.856 -20.579 1.00 53.14 H new ATOM 0 HA LEU A 26 -11.958 24.996 -20.459 1.00 74.41 H new ATOM 0 HB2 LEU A 26 -10.802 24.422 -22.382 1.00 32.52 H new ATOM 0 HB3 LEU A 26 -9.380 23.890 -21.507 1.00 32.52 H new ATOM 0 HG LEU A 26 -11.795 22.235 -21.077 1.00 71.41 H new ATOM 0 HD11 LEU A 26 -11.568 21.080 -23.242 1.00 4.55 H new ATOM 0 HD12 LEU A 26 -12.075 22.773 -23.448 1.00 4.55 H new ATOM 0 HD13 LEU A 26 -10.388 22.305 -23.767 1.00 4.55 H new ATOM 0 HD21 LEU A 26 -10.143 20.425 -21.338 1.00 32.24 H new ATOM 0 HD22 LEU A 26 -8.907 21.625 -21.787 1.00 32.24 H new ATOM 0 HD23 LEU A 26 -9.609 21.640 -20.152 1.00 32.24 H new ATOM 406 N SER A 27 -12.350 23.119 -18.871 1.00 51.14 N ATOM 407 CA SER A 27 -12.621 22.159 -17.808 1.00 13.13 C ATOM 408 C SER A 27 -13.400 20.961 -18.343 1.00 24.02 C ATOM 409 O SER A 27 -13.708 20.028 -17.602 1.00 75.15 O ATOM 410 CB SER A 27 -13.405 22.827 -16.677 1.00 15.33 C ATOM 411 OG SER A 27 -14.795 22.576 -16.801 1.00 45.15 O ATOM 0 H SER A 27 -13.174 23.410 -19.396 1.00 51.14 H new ATOM 0 HA SER A 27 -11.666 21.805 -17.420 1.00 13.13 H new ATOM 0 HB2 SER A 27 -13.050 22.456 -15.716 1.00 15.33 H new ATOM 0 HB3 SER A 27 -13.224 23.902 -16.690 1.00 15.33 H new ATOM 0 HG SER A 27 -15.273 23.012 -16.065 1.00 45.15 H new ATOM 417 N GLU A 28 -13.713 20.996 -19.634 1.00 70.42 N ATOM 418 CA GLU A 28 -14.456 19.913 -20.269 1.00 11.14 C ATOM 419 C GLU A 28 -13.507 18.892 -20.888 1.00 23.50 C ATOM 420 O GLU A 28 -13.900 17.765 -21.189 1.00 41.44 O ATOM 421 CB GLU A 28 -15.395 20.469 -21.341 1.00 42.33 C ATOM 422 CG GLU A 28 -16.757 20.878 -20.806 1.00 22.11 C ATOM 423 CD GLU A 28 -17.847 19.888 -21.168 1.00 50.35 C ATOM 424 OE1 GLU A 28 -17.870 19.429 -22.329 1.00 62.42 O ATOM 425 OE2 GLU A 28 -18.678 19.574 -20.290 1.00 65.44 O ATOM 0 H GLU A 28 -13.464 21.761 -20.261 1.00 70.42 H new ATOM 0 HA GLU A 28 -15.048 19.414 -19.502 1.00 11.14 H new ATOM 0 HB2 GLU A 28 -14.925 21.333 -21.811 1.00 42.33 H new ATOM 0 HB3 GLU A 28 -15.530 19.717 -22.118 1.00 42.33 H new ATOM 0 HG2 GLU A 28 -16.704 20.973 -19.722 1.00 22.11 H new ATOM 0 HG3 GLU A 28 -17.018 21.860 -21.200 1.00 22.11 H new ATOM 432 N GLY A 29 -12.253 19.294 -21.075 1.00 54.35 N ATOM 433 CA GLY A 29 -11.267 18.403 -21.658 1.00 53.54 C ATOM 434 C GLY A 29 -10.480 17.644 -20.609 1.00 61.02 C ATOM 435 O GLY A 29 -9.337 17.990 -20.310 1.00 63.45 O ATOM 0 H GLY A 29 -11.903 20.221 -20.833 1.00 54.35 H new ATOM 0 HA2 GLY A 29 -11.768 17.693 -22.316 1.00 53.54 H new ATOM 0 HA3 GLY A 29 -10.580 18.981 -22.276 1.00 53.54 H new ATOM 439 N ARG A 30 -11.093 16.607 -20.047 1.00 42.40 N ATOM 440 CA ARG A 30 -10.443 15.799 -19.023 1.00 24.13 C ATOM 441 C ARG A 30 -10.126 14.403 -19.551 1.00 74.15 C ATOM 442 O ARG A 30 -10.790 13.908 -20.463 1.00 20.32 O ATOM 443 CB ARG A 30 -11.332 15.697 -17.782 1.00 73.35 C ATOM 444 CG ARG A 30 -12.528 14.776 -17.965 1.00 12.50 C ATOM 445 CD ARG A 30 -13.833 15.488 -17.643 1.00 50.24 C ATOM 446 NE ARG A 30 -14.981 14.589 -17.723 1.00 30.01 N ATOM 447 CZ ARG A 30 -16.241 15.008 -17.770 1.00 63.22 C ATOM 448 NH1 ARG A 30 -16.513 16.305 -17.747 1.00 2.35 N ATOM 449 NH2 ARG A 30 -17.231 14.128 -17.842 1.00 15.02 N ATOM 0 H ARG A 30 -12.039 16.307 -20.284 1.00 42.40 H new ATOM 0 HA ARG A 30 -9.507 16.287 -18.752 1.00 24.13 H new ATOM 0 HB2 ARG A 30 -10.733 15.339 -16.945 1.00 73.35 H new ATOM 0 HB3 ARG A 30 -11.688 16.693 -17.517 1.00 73.35 H new ATOM 0 HG2 ARG A 30 -12.555 14.412 -18.992 1.00 12.50 H new ATOM 0 HG3 ARG A 30 -12.419 13.904 -17.320 1.00 12.50 H new ATOM 0 HD2 ARG A 30 -13.776 15.915 -16.642 1.00 50.24 H new ATOM 0 HD3 ARG A 30 -13.974 16.318 -18.335 1.00 50.24 H new ATOM 0 HE ARG A 30 -14.806 13.584 -17.744 1.00 30.01 H new ATOM 0 HH11 ARG A 30 -15.754 16.984 -17.693 1.00 2.35 H new ATOM 0 HH12 ARG A 30 -17.481 16.624 -17.783 1.00 2.35 H new ATOM 0 HH21 ARG A 30 -17.025 13.129 -17.861 1.00 15.02 H new ATOM 0 HH22 ARG A 30 -18.198 14.450 -17.878 1.00 15.02 H new ATOM 463 N PHE A 31 -9.108 13.774 -18.974 1.00 35.41 N ATOM 464 CA PHE A 31 -8.703 12.435 -19.388 1.00 0.34 C ATOM 465 C PHE A 31 -8.647 11.490 -18.191 1.00 70.33 C ATOM 466 O PHE A 31 -8.352 11.906 -17.071 1.00 60.53 O ATOM 467 CB PHE A 31 -7.338 12.484 -20.078 1.00 75.52 C ATOM 468 CG PHE A 31 -6.387 13.467 -19.459 1.00 15.33 C ATOM 469 CD1 PHE A 31 -6.386 14.795 -19.857 1.00 33.53 C ATOM 470 CD2 PHE A 31 -5.495 13.065 -18.478 1.00 52.11 C ATOM 471 CE1 PHE A 31 -5.512 15.701 -19.289 1.00 3.53 C ATOM 472 CE2 PHE A 31 -4.618 13.968 -17.906 1.00 74.31 C ATOM 473 CZ PHE A 31 -4.628 15.288 -18.311 1.00 64.14 C ATOM 0 H PHE A 31 -8.548 14.169 -18.219 1.00 35.41 H new ATOM 0 HA PHE A 31 -9.445 12.058 -20.092 1.00 0.34 H new ATOM 0 HB2 PHE A 31 -6.890 11.491 -20.050 1.00 75.52 H new ATOM 0 HB3 PHE A 31 -7.480 12.740 -21.128 1.00 75.52 H new ATOM 0 HD1 PHE A 31 -7.076 15.125 -20.619 1.00 33.53 H new ATOM 0 HD2 PHE A 31 -5.485 12.034 -18.156 1.00 52.11 H new ATOM 0 HE1 PHE A 31 -5.520 16.732 -19.609 1.00 3.53 H new ATOM 0 HE2 PHE A 31 -3.926 13.641 -17.144 1.00 74.31 H new ATOM 0 HZ PHE A 31 -3.946 15.996 -17.864 1.00 64.14 H new ATOM 483 N ALA A 32 -8.933 10.216 -18.438 1.00 72.40 N ATOM 484 CA ALA A 32 -8.914 9.210 -17.383 1.00 13.33 C ATOM 485 C ALA A 32 -7.716 8.279 -17.533 1.00 0.21 C ATOM 486 O ALA A 32 -7.529 7.655 -18.578 1.00 3.54 O ATOM 487 CB ALA A 32 -10.210 8.412 -17.391 1.00 4.11 C ATOM 0 H ALA A 32 -9.181 9.856 -19.360 1.00 72.40 H new ATOM 0 HA ALA A 32 -8.823 9.724 -16.426 1.00 13.33 H new ATOM 0 HB1 ALA A 32 -10.182 7.665 -16.598 1.00 4.11 H new ATOM 0 HB2 ALA A 32 -11.052 9.084 -17.226 1.00 4.11 H new ATOM 0 HB3 ALA A 32 -10.325 7.915 -18.354 1.00 4.11 H new ATOM 493 N VAL A 33 -6.906 8.190 -16.482 1.00 52.35 N ATOM 494 CA VAL A 33 -5.726 7.335 -16.498 1.00 24.34 C ATOM 495 C VAL A 33 -5.890 6.154 -15.547 1.00 54.03 C ATOM 496 O VAL A 33 -6.418 6.300 -14.445 1.00 43.21 O ATOM 497 CB VAL A 33 -4.459 8.120 -16.109 1.00 23.42 C ATOM 498 CG1 VAL A 33 -4.503 8.512 -14.640 1.00 12.01 C ATOM 499 CG2 VAL A 33 -3.212 7.303 -16.413 1.00 70.23 C ATOM 0 H VAL A 33 -7.046 8.700 -15.610 1.00 52.35 H new ATOM 0 HA VAL A 33 -5.617 6.965 -17.517 1.00 24.34 H new ATOM 0 HB VAL A 33 -4.422 9.033 -16.703 1.00 23.42 H new ATOM 0 HG11 VAL A 33 -3.600 9.066 -14.384 1.00 12.01 H new ATOM 0 HG12 VAL A 33 -5.376 9.138 -14.456 1.00 12.01 H new ATOM 0 HG13 VAL A 33 -4.565 7.614 -14.025 1.00 12.01 H new ATOM 0 HG21 VAL A 33 -2.326 7.873 -16.132 1.00 70.23 H new ATOM 0 HG22 VAL A 33 -3.240 6.372 -15.846 1.00 70.23 H new ATOM 0 HG23 VAL A 33 -3.175 7.078 -17.479 1.00 70.23 H new ATOM 509 N ALA A 34 -5.435 4.984 -15.982 1.00 71.42 N ATOM 510 CA ALA A 34 -5.530 3.777 -15.169 1.00 45.52 C ATOM 511 C ALA A 34 -4.183 3.430 -14.544 1.00 1.23 C ATOM 512 O ALA A 34 -3.177 3.302 -15.243 1.00 13.45 O ATOM 513 CB ALA A 34 -6.040 2.615 -16.007 1.00 61.34 C ATOM 0 H ALA A 34 -4.997 4.846 -16.893 1.00 71.42 H new ATOM 0 HA ALA A 34 -6.238 3.966 -14.362 1.00 45.52 H new ATOM 0 HB1 ALA A 34 -6.106 1.721 -15.387 1.00 61.34 H new ATOM 0 HB2 ALA A 34 -7.027 2.857 -16.402 1.00 61.34 H new ATOM 0 HB3 ALA A 34 -5.353 2.434 -16.834 1.00 61.34 H new ATOM 519 N TYR A 35 -4.170 3.279 -13.224 1.00 13.50 N ATOM 520 CA TYR A 35 -2.946 2.950 -12.504 1.00 0.10 C ATOM 521 C TYR A 35 -2.723 1.441 -12.470 1.00 40.22 C ATOM 522 O TYR A 35 -3.675 0.661 -12.476 1.00 53.30 O ATOM 523 CB TYR A 35 -3.004 3.500 -11.078 1.00 14.21 C ATOM 524 CG TYR A 35 -2.669 4.971 -10.982 1.00 41.43 C ATOM 525 CD1 TYR A 35 -1.349 5.406 -11.008 1.00 13.13 C ATOM 526 CD2 TYR A 35 -3.671 5.927 -10.865 1.00 60.35 C ATOM 527 CE1 TYR A 35 -1.038 6.749 -10.920 1.00 1.21 C ATOM 528 CE2 TYR A 35 -3.369 7.272 -10.779 1.00 21.24 C ATOM 529 CZ TYR A 35 -2.051 7.678 -10.806 1.00 51.10 C ATOM 530 OH TYR A 35 -1.746 9.017 -10.718 1.00 50.03 O ATOM 0 H TYR A 35 -4.994 3.379 -12.631 1.00 13.50 H new ATOM 0 HA TYR A 35 -2.110 3.411 -13.030 1.00 0.10 H new ATOM 0 HB2 TYR A 35 -4.004 3.337 -10.675 1.00 14.21 H new ATOM 0 HB3 TYR A 35 -2.312 2.937 -10.452 1.00 14.21 H new ATOM 0 HD1 TYR A 35 -0.553 4.682 -11.099 1.00 13.13 H new ATOM 0 HD2 TYR A 35 -4.704 5.613 -10.841 1.00 60.35 H new ATOM 0 HE1 TYR A 35 -0.007 7.070 -10.940 1.00 1.21 H new ATOM 0 HE2 TYR A 35 -4.160 8.002 -10.691 1.00 21.24 H new ATOM 0 HH TYR A 35 -2.572 9.534 -10.612 1.00 50.03 H new ATOM 540 N SER A 36 -1.457 1.037 -12.434 1.00 51.44 N ATOM 541 CA SER A 36 -1.107 -0.378 -12.403 1.00 2.22 C ATOM 542 C SER A 36 -1.610 -1.034 -11.121 1.00 13.45 C ATOM 543 O SER A 36 -1.679 -2.258 -11.022 1.00 53.15 O ATOM 544 CB SER A 36 0.409 -0.552 -12.517 1.00 72.42 C ATOM 545 OG SER A 36 1.025 -0.509 -11.242 1.00 11.12 O ATOM 0 H SER A 36 -0.657 1.670 -12.426 1.00 51.44 H new ATOM 0 HA SER A 36 -1.587 -0.865 -13.252 1.00 2.22 H new ATOM 0 HB2 SER A 36 0.634 -1.503 -13.001 1.00 72.42 H new ATOM 0 HB3 SER A 36 0.822 0.233 -13.150 1.00 72.42 H new ATOM 0 HG SER A 36 1.993 -0.624 -11.342 1.00 11.12 H new ATOM 551 N ASN A 37 -1.961 -0.208 -10.140 1.00 30.24 N ATOM 552 CA ASN A 37 -2.458 -0.707 -8.862 1.00 41.32 C ATOM 553 C ASN A 37 -3.983 -0.741 -8.848 1.00 31.21 C ATOM 554 O ASN A 37 -4.605 -0.705 -7.786 1.00 52.31 O ATOM 555 CB ASN A 37 -1.946 0.167 -7.716 1.00 4.52 C ATOM 556 CG ASN A 37 -1.954 -0.560 -6.385 1.00 72.34 C ATOM 557 OD1 ASN A 37 -2.766 -0.264 -5.509 1.00 32.54 O ATOM 558 ND2 ASN A 37 -1.048 -1.518 -6.229 1.00 63.13 N ATOM 0 H ASN A 37 -1.911 0.809 -10.205 1.00 30.24 H new ATOM 0 HA ASN A 37 -2.088 -1.724 -8.728 1.00 41.32 H new ATOM 0 HB2 ASN A 37 -0.932 0.497 -7.940 1.00 4.52 H new ATOM 0 HB3 ASN A 37 -2.564 1.062 -7.642 1.00 4.52 H new ATOM 0 HD21 ASN A 37 -1.006 -2.043 -5.355 1.00 63.13 H new ATOM 0 HD22 ASN A 37 -0.394 -1.729 -6.983 1.00 63.13 H new ATOM 565 N ASP A 38 -4.579 -0.812 -10.033 1.00 62.42 N ATOM 566 CA ASP A 38 -6.031 -0.854 -10.158 1.00 12.23 C ATOM 567 C ASP A 38 -6.660 0.426 -9.614 1.00 62.53 C ATOM 568 O ASP A 38 -7.340 0.409 -8.587 1.00 44.25 O ATOM 569 CB ASP A 38 -6.594 -2.068 -9.417 1.00 4.23 C ATOM 570 CG ASP A 38 -5.798 -3.330 -9.686 1.00 32.00 C ATOM 571 OD1 ASP A 38 -5.598 -3.664 -10.873 1.00 11.21 O ATOM 572 OD2 ASP A 38 -5.375 -3.984 -8.710 1.00 0.31 O ATOM 0 H ASP A 38 -4.079 -0.842 -10.921 1.00 62.42 H new ATOM 0 HA ASP A 38 -6.277 -0.938 -11.216 1.00 12.23 H new ATOM 0 HB2 ASP A 38 -6.599 -1.866 -8.346 1.00 4.23 H new ATOM 0 HB3 ASP A 38 -7.630 -2.225 -9.717 1.00 4.23 H new ATOM 577 N THR A 39 -6.428 1.535 -10.309 1.00 65.24 N ATOM 578 CA THR A 39 -6.969 2.823 -9.896 1.00 4.31 C ATOM 579 C THR A 39 -7.267 3.707 -11.102 1.00 32.32 C ATOM 580 O THR A 39 -6.716 3.504 -12.183 1.00 61.11 O ATOM 581 CB THR A 39 -5.998 3.565 -8.958 1.00 1.40 C ATOM 582 OG1 THR A 39 -4.889 2.720 -8.632 1.00 32.21 O ATOM 583 CG2 THR A 39 -6.704 3.999 -7.682 1.00 43.42 C ATOM 0 H THR A 39 -5.868 1.567 -11.161 1.00 65.24 H new ATOM 0 HA THR A 39 -7.896 2.619 -9.361 1.00 4.31 H new ATOM 0 HB THR A 39 -5.637 4.454 -9.475 1.00 1.40 H new ATOM 0 HG1 THR A 39 -4.276 3.200 -8.037 1.00 32.21 H new ATOM 0 HG21 THR A 39 -5.999 4.521 -7.035 1.00 43.42 H new ATOM 0 HG22 THR A 39 -7.529 4.666 -7.932 1.00 43.42 H new ATOM 0 HG23 THR A 39 -7.091 3.122 -7.164 1.00 43.42 H new ATOM 591 N MET A 40 -8.143 4.688 -10.908 1.00 64.25 N ATOM 592 CA MET A 40 -8.513 5.604 -11.981 1.00 64.22 C ATOM 593 C MET A 40 -8.566 7.041 -11.474 1.00 52.42 C ATOM 594 O MET A 40 -9.085 7.307 -10.391 1.00 10.34 O ATOM 595 CB MET A 40 -9.867 5.209 -12.574 1.00 24.22 C ATOM 596 CG MET A 40 -9.756 4.371 -13.837 1.00 21.50 C ATOM 597 SD MET A 40 -11.358 3.793 -14.430 1.00 23.53 S ATOM 598 CE MET A 40 -11.854 5.170 -15.462 1.00 21.23 C ATOM 0 H MET A 40 -8.609 4.869 -10.019 1.00 64.25 H new ATOM 0 HA MET A 40 -7.752 5.540 -12.759 1.00 64.22 H new ATOM 0 HB2 MET A 40 -10.433 4.652 -11.827 1.00 24.22 H new ATOM 0 HB3 MET A 40 -10.435 6.113 -12.796 1.00 24.22 H new ATOM 0 HG2 MET A 40 -9.275 4.960 -14.618 1.00 21.50 H new ATOM 0 HG3 MET A 40 -9.113 3.512 -13.643 1.00 21.50 H new ATOM 0 HE1 MET A 40 -12.829 4.962 -15.902 1.00 21.23 H new ATOM 0 HE2 MET A 40 -11.914 6.075 -14.857 1.00 21.23 H new ATOM 0 HE3 MET A 40 -11.121 5.312 -16.256 1.00 21.23 H new ATOM 608 N GLU A 41 -8.026 7.964 -12.265 1.00 34.21 N ATOM 609 CA GLU A 41 -8.013 9.374 -11.894 1.00 23.12 C ATOM 610 C GLU A 41 -8.477 10.247 -13.056 1.00 74.20 C ATOM 611 O GLU A 41 -8.047 10.063 -14.194 1.00 2.01 O ATOM 612 CB GLU A 41 -6.609 9.795 -11.455 1.00 24.00 C ATOM 613 CG GLU A 41 -6.428 9.832 -9.947 1.00 0.52 C ATOM 614 CD GLU A 41 -5.026 10.240 -9.537 1.00 70.11 C ATOM 615 OE1 GLU A 41 -4.222 10.578 -10.431 1.00 60.31 O ATOM 616 OE2 GLU A 41 -4.733 10.221 -8.324 1.00 22.25 O ATOM 0 H GLU A 41 -7.592 7.760 -13.166 1.00 34.21 H new ATOM 0 HA GLU A 41 -8.703 9.511 -11.062 1.00 23.12 H new ATOM 0 HB2 GLU A 41 -5.882 9.105 -11.883 1.00 24.00 H new ATOM 0 HB3 GLU A 41 -6.391 10.782 -11.863 1.00 24.00 H new ATOM 0 HG2 GLU A 41 -7.146 10.530 -9.516 1.00 0.52 H new ATOM 0 HG3 GLU A 41 -6.652 8.848 -9.534 1.00 0.52 H new ATOM 623 N GLU A 42 -9.359 11.196 -12.760 1.00 12.45 N ATOM 624 CA GLU A 42 -9.883 12.097 -13.780 1.00 34.31 C ATOM 625 C GLU A 42 -9.518 13.545 -13.467 1.00 61.14 C ATOM 626 O GLU A 42 -9.634 13.994 -12.327 1.00 0.14 O ATOM 627 CB GLU A 42 -11.403 11.954 -13.885 1.00 52.13 C ATOM 628 CG GLU A 42 -11.850 10.970 -14.953 1.00 64.41 C ATOM 629 CD GLU A 42 -13.210 10.368 -14.660 1.00 13.02 C ATOM 630 OE1 GLU A 42 -13.436 9.947 -13.506 1.00 1.33 O ATOM 631 OE2 GLU A 42 -14.049 10.318 -15.583 1.00 61.45 O ATOM 0 H GLU A 42 -9.726 11.361 -11.823 1.00 12.45 H new ATOM 0 HA GLU A 42 -9.432 11.825 -14.735 1.00 34.31 H new ATOM 0 HB2 GLU A 42 -11.797 11.634 -12.920 1.00 52.13 H new ATOM 0 HB3 GLU A 42 -11.837 12.931 -14.098 1.00 52.13 H new ATOM 0 HG2 GLU A 42 -11.881 11.476 -15.918 1.00 64.41 H new ATOM 0 HG3 GLU A 42 -11.114 10.171 -15.036 1.00 64.41 H new ATOM 638 N HIS A 43 -9.075 14.271 -14.489 1.00 70.10 N ATOM 639 CA HIS A 43 -8.692 15.669 -14.324 1.00 70.34 C ATOM 640 C HIS A 43 -8.837 16.430 -15.639 1.00 2.14 C ATOM 641 O HIS A 43 -8.538 15.902 -16.709 1.00 63.25 O ATOM 642 CB HIS A 43 -7.252 15.769 -13.819 1.00 74.14 C ATOM 643 CG HIS A 43 -7.150 16.115 -12.366 1.00 13.02 C ATOM 644 ND1 HIS A 43 -7.961 17.048 -11.756 1.00 14.34 N ATOM 645 CD2 HIS A 43 -6.327 15.645 -11.400 1.00 2.34 C ATOM 646 CE1 HIS A 43 -7.640 17.139 -10.477 1.00 52.14 C ATOM 647 NE2 HIS A 43 -6.651 16.298 -10.236 1.00 32.44 N ATOM 0 H HIS A 43 -8.972 13.915 -15.439 1.00 70.10 H new ATOM 0 HA HIS A 43 -9.359 16.119 -13.588 1.00 70.34 H new ATOM 0 HB2 HIS A 43 -6.747 14.819 -13.994 1.00 74.14 H new ATOM 0 HB3 HIS A 43 -6.723 16.523 -14.402 1.00 74.14 H new ATOM 0 HD2 HIS A 43 -5.559 14.896 -11.522 1.00 2.34 H new ATOM 0 HE1 HIS A 43 -8.107 17.790 -9.753 1.00 52.14 H new ATOM 0 HE2 HIS A 43 -6.201 16.156 -9.332 1.00 32.44 H new ATOM 655 N SER A 44 -9.298 17.673 -15.549 1.00 11.50 N ATOM 656 CA SER A 44 -9.487 18.506 -16.731 1.00 61.23 C ATOM 657 C SER A 44 -8.526 19.691 -16.720 1.00 54.13 C ATOM 658 O SER A 44 -8.515 20.487 -15.781 1.00 52.32 O ATOM 659 CB SER A 44 -10.931 19.006 -16.804 1.00 30.23 C ATOM 660 OG SER A 44 -11.740 18.370 -15.830 1.00 32.15 O ATOM 0 H SER A 44 -9.548 18.126 -14.670 1.00 11.50 H new ATOM 0 HA SER A 44 -9.276 17.898 -17.611 1.00 61.23 H new ATOM 0 HB2 SER A 44 -10.954 20.085 -16.652 1.00 30.23 H new ATOM 0 HB3 SER A 44 -11.335 18.816 -17.798 1.00 30.23 H new ATOM 0 HG SER A 44 -12.678 18.618 -15.971 1.00 32.15 H new ATOM 666 N PHE A 45 -7.721 19.801 -17.771 1.00 42.54 N ATOM 667 CA PHE A 45 -6.755 20.888 -17.884 1.00 11.43 C ATOM 668 C PHE A 45 -6.084 21.161 -16.540 1.00 74.05 C ATOM 669 O PHE A 45 -6.317 22.196 -15.915 1.00 40.34 O ATOM 670 CB PHE A 45 -7.441 22.158 -18.391 1.00 15.42 C ATOM 671 CG PHE A 45 -6.482 23.197 -18.898 1.00 21.22 C ATOM 672 CD1 PHE A 45 -5.547 22.880 -19.870 1.00 73.42 C ATOM 673 CD2 PHE A 45 -6.514 24.490 -18.401 1.00 71.03 C ATOM 674 CE1 PHE A 45 -4.663 23.833 -20.339 1.00 70.12 C ATOM 675 CE2 PHE A 45 -5.633 25.447 -18.867 1.00 2.43 C ATOM 676 CZ PHE A 45 -4.705 25.118 -19.836 1.00 13.21 C ATOM 0 H PHE A 45 -7.718 19.151 -18.557 1.00 42.54 H new ATOM 0 HA PHE A 45 -5.989 20.587 -18.599 1.00 11.43 H new ATOM 0 HB2 PHE A 45 -8.133 21.893 -19.191 1.00 15.42 H new ATOM 0 HB3 PHE A 45 -8.035 22.587 -17.584 1.00 15.42 H new ATOM 0 HD1 PHE A 45 -5.509 21.876 -20.266 1.00 73.42 H new ATOM 0 HD2 PHE A 45 -7.235 24.753 -17.641 1.00 71.03 H new ATOM 0 HE1 PHE A 45 -3.940 23.573 -21.098 1.00 70.12 H new ATOM 0 HE2 PHE A 45 -5.670 26.452 -18.474 1.00 2.43 H new ATOM 0 HZ PHE A 45 -4.014 25.864 -20.199 1.00 13.21 H new ATOM 686 N THR A 46 -5.250 20.224 -16.101 1.00 73.51 N ATOM 687 CA THR A 46 -4.547 20.360 -14.832 1.00 42.31 C ATOM 688 C THR A 46 -3.461 19.300 -14.688 1.00 74.30 C ATOM 689 O THR A 46 -2.342 19.596 -14.271 1.00 1.45 O ATOM 690 CB THR A 46 -5.515 20.253 -13.639 1.00 1.43 C ATOM 691 OG1 THR A 46 -4.777 20.190 -12.413 1.00 43.33 O ATOM 692 CG2 THR A 46 -6.399 19.022 -13.768 1.00 12.31 C ATOM 0 H THR A 46 -5.045 19.362 -16.606 1.00 73.51 H new ATOM 0 HA THR A 46 -4.088 21.349 -14.830 1.00 42.31 H new ATOM 0 HB THR A 46 -6.151 21.139 -13.635 1.00 1.43 H new ATOM 0 HG1 THR A 46 -5.400 20.124 -11.659 1.00 43.33 H new ATOM 0 HG21 THR A 46 -7.074 18.968 -12.914 1.00 12.31 H new ATOM 0 HG22 THR A 46 -6.981 19.087 -14.687 1.00 12.31 H new ATOM 0 HG23 THR A 46 -5.776 18.128 -13.795 1.00 12.31 H new ATOM 700 N ASP A 47 -3.799 18.063 -15.037 1.00 13.25 N ATOM 701 CA ASP A 47 -2.852 16.958 -14.948 1.00 31.14 C ATOM 702 C ASP A 47 -1.646 17.202 -15.848 1.00 45.54 C ATOM 703 O ASP A 47 -1.775 17.766 -16.934 1.00 44.35 O ATOM 704 CB ASP A 47 -3.533 15.643 -15.331 1.00 64.04 C ATOM 705 CG ASP A 47 -3.444 14.603 -14.232 1.00 61.20 C ATOM 706 OD1 ASP A 47 -2.324 14.358 -13.735 1.00 54.11 O ATOM 707 OD2 ASP A 47 -4.494 14.034 -13.868 1.00 11.11 O ATOM 0 H ASP A 47 -4.722 17.801 -15.384 1.00 13.25 H new ATOM 0 HA ASP A 47 -2.505 16.891 -13.917 1.00 31.14 H new ATOM 0 HB2 ASP A 47 -4.581 15.834 -15.562 1.00 64.04 H new ATOM 0 HB3 ASP A 47 -3.073 15.250 -16.237 1.00 64.04 H new ATOM 712 N GLU A 48 -0.474 16.775 -15.389 1.00 3.35 N ATOM 713 CA GLU A 48 0.756 16.950 -16.153 1.00 12.22 C ATOM 714 C GLU A 48 1.059 15.709 -16.988 1.00 15.41 C ATOM 715 O GLU A 48 2.202 15.473 -17.376 1.00 73.12 O ATOM 716 CB GLU A 48 1.928 17.245 -15.215 1.00 0.53 C ATOM 717 CG GLU A 48 2.059 18.714 -14.848 1.00 44.22 C ATOM 718 CD GLU A 48 1.849 18.967 -13.368 1.00 4.21 C ATOM 719 OE1 GLU A 48 2.713 18.550 -12.567 1.00 54.32 O ATOM 720 OE2 GLU A 48 0.823 19.581 -13.010 1.00 52.21 O ATOM 0 H GLU A 48 -0.350 16.305 -14.492 1.00 3.35 H new ATOM 0 HA GLU A 48 0.617 17.796 -16.827 1.00 12.22 H new ATOM 0 HB2 GLU A 48 1.808 16.661 -14.303 1.00 0.53 H new ATOM 0 HB3 GLU A 48 2.853 16.913 -15.687 1.00 0.53 H new ATOM 0 HG2 GLU A 48 3.048 19.070 -15.137 1.00 44.22 H new ATOM 0 HG3 GLU A 48 1.333 19.293 -15.418 1.00 44.22 H new ATOM 727 N GLY A 49 0.024 14.919 -17.260 1.00 2.41 N ATOM 728 CA GLY A 49 0.199 13.712 -18.046 1.00 44.32 C ATOM 729 C GLY A 49 0.138 13.978 -19.537 1.00 74.53 C ATOM 730 O GLY A 49 0.824 13.321 -20.321 1.00 55.21 O ATOM 0 H GLY A 49 -0.932 15.094 -16.950 1.00 2.41 H new ATOM 0 HA2 GLY A 49 1.159 13.258 -17.800 1.00 44.32 H new ATOM 0 HA3 GLY A 49 -0.573 12.991 -17.777 1.00 44.32 H new ATOM 734 N VAL A 50 -0.688 14.942 -19.932 1.00 31.24 N ATOM 735 CA VAL A 50 -0.838 15.292 -21.339 1.00 43.10 C ATOM 736 C VAL A 50 -0.232 16.660 -21.632 1.00 40.12 C ATOM 737 O VAL A 50 -0.377 17.595 -20.845 1.00 51.05 O ATOM 738 CB VAL A 50 -2.319 15.297 -21.762 1.00 2.43 C ATOM 739 CG1 VAL A 50 -2.992 13.993 -21.364 1.00 72.45 C ATOM 740 CG2 VAL A 50 -3.042 16.488 -21.151 1.00 75.01 C ATOM 0 H VAL A 50 -1.264 15.495 -19.297 1.00 31.24 H new ATOM 0 HA VAL A 50 -0.307 14.532 -21.913 1.00 43.10 H new ATOM 0 HB VAL A 50 -2.370 15.387 -22.847 1.00 2.43 H new ATOM 0 HG11 VAL A 50 -4.038 14.015 -21.671 1.00 72.45 H new ATOM 0 HG12 VAL A 50 -2.488 13.159 -21.853 1.00 72.45 H new ATOM 0 HG13 VAL A 50 -2.934 13.869 -20.283 1.00 72.45 H new ATOM 0 HG21 VAL A 50 -4.087 16.477 -21.460 1.00 75.01 H new ATOM 0 HG22 VAL A 50 -2.984 16.430 -20.064 1.00 75.01 H new ATOM 0 HG23 VAL A 50 -2.573 17.412 -21.491 1.00 75.01 H new ATOM 750 N GLU A 51 0.447 16.769 -22.770 1.00 12.20 N ATOM 751 CA GLU A 51 1.075 18.024 -23.167 1.00 20.04 C ATOM 752 C GLU A 51 0.302 18.684 -24.305 1.00 32.51 C ATOM 753 O GLU A 51 -0.146 18.013 -25.235 1.00 74.42 O ATOM 754 CB GLU A 51 2.524 17.782 -23.593 1.00 64.11 C ATOM 755 CG GLU A 51 3.472 17.553 -22.427 1.00 52.33 C ATOM 756 CD GLU A 51 4.700 18.441 -22.491 1.00 33.33 C ATOM 757 OE1 GLU A 51 5.171 18.723 -23.612 1.00 1.11 O ATOM 758 OE2 GLU A 51 5.189 18.853 -21.418 1.00 51.01 O ATOM 0 H GLU A 51 0.576 16.004 -23.432 1.00 12.20 H new ATOM 0 HA GLU A 51 1.063 18.694 -22.307 1.00 20.04 H new ATOM 0 HB2 GLU A 51 2.559 16.916 -24.254 1.00 64.11 H new ATOM 0 HB3 GLU A 51 2.872 18.639 -24.170 1.00 64.11 H new ATOM 0 HG2 GLU A 51 2.943 17.737 -21.492 1.00 52.33 H new ATOM 0 HG3 GLU A 51 3.784 16.509 -22.416 1.00 52.33 H new ATOM 765 N ILE A 52 0.149 20.001 -24.223 1.00 64.12 N ATOM 766 CA ILE A 52 -0.569 20.751 -25.246 1.00 3.20 C ATOM 767 C ILE A 52 0.384 21.620 -26.061 1.00 35.30 C ATOM 768 O ILE A 52 1.306 22.227 -25.517 1.00 14.11 O ATOM 769 CB ILE A 52 -1.659 21.646 -24.627 1.00 23.24 C ATOM 770 CG1 ILE A 52 -2.465 20.861 -23.590 1.00 72.00 C ATOM 771 CG2 ILE A 52 -2.573 22.195 -25.712 1.00 2.13 C ATOM 772 CD1 ILE A 52 -3.205 19.676 -24.171 1.00 1.13 C ATOM 0 H ILE A 52 0.512 20.571 -23.459 1.00 64.12 H new ATOM 0 HA ILE A 52 -1.040 20.019 -25.902 1.00 3.20 H new ATOM 0 HB ILE A 52 -1.178 22.486 -24.126 1.00 23.24 H new ATOM 0 HG12 ILE A 52 -1.792 20.511 -22.808 1.00 72.00 H new ATOM 0 HG13 ILE A 52 -3.183 21.531 -23.117 1.00 72.00 H new ATOM 0 HG21 ILE A 52 -3.338 22.825 -25.259 1.00 2.13 H new ATOM 0 HG22 ILE A 52 -1.987 22.785 -26.417 1.00 2.13 H new ATOM 0 HG23 ILE A 52 -3.050 21.368 -26.239 1.00 2.13 H new ATOM 0 HD11 ILE A 52 -3.754 19.166 -23.379 1.00 1.13 H new ATOM 0 HD12 ILE A 52 -3.903 20.021 -24.933 1.00 1.13 H new ATOM 0 HD13 ILE A 52 -2.491 18.985 -24.619 1.00 1.13 H new ATOM 784 N SER A 53 0.153 21.675 -27.369 1.00 13.02 N ATOM 785 CA SER A 53 0.991 22.468 -28.260 1.00 62.01 C ATOM 786 C SER A 53 0.137 23.296 -29.216 1.00 23.50 C ATOM 787 O SER A 53 -0.838 22.802 -29.781 1.00 63.11 O ATOM 788 CB SER A 53 1.930 21.558 -29.055 1.00 4.44 C ATOM 789 OG SER A 53 3.266 22.028 -28.995 1.00 40.04 O ATOM 0 H SER A 53 -0.607 21.180 -27.835 1.00 13.02 H new ATOM 0 HA SER A 53 1.585 23.148 -27.650 1.00 62.01 H new ATOM 0 HB2 SER A 53 1.880 20.544 -28.660 1.00 4.44 H new ATOM 0 HB3 SER A 53 1.604 21.512 -30.094 1.00 4.44 H new ATOM 0 HG SER A 53 3.847 21.429 -29.509 1.00 40.04 H new ATOM 795 N GLY A 54 0.512 24.559 -29.392 1.00 11.25 N ATOM 796 CA GLY A 54 -0.229 25.436 -30.279 1.00 12.21 C ATOM 797 C GLY A 54 -1.217 26.313 -29.535 1.00 73.04 C ATOM 798 O GLY A 54 -1.871 27.168 -30.133 1.00 10.21 O ATOM 0 H GLY A 54 1.316 24.991 -28.936 1.00 11.25 H new ATOM 0 HA2 GLY A 54 0.470 26.067 -30.829 1.00 12.21 H new ATOM 0 HA3 GLY A 54 -0.763 24.836 -31.015 1.00 12.21 H new ATOM 802 N TYR A 55 -1.328 26.100 -28.229 1.00 31.10 N ATOM 803 CA TYR A 55 -2.247 26.875 -27.403 1.00 61.35 C ATOM 804 C TYR A 55 -1.586 28.159 -26.911 1.00 73.23 C ATOM 805 O TYR A 55 -0.409 28.166 -26.551 1.00 32.13 O ATOM 806 CB TYR A 55 -2.720 26.042 -26.211 1.00 32.01 C ATOM 807 CG TYR A 55 -1.926 26.287 -24.948 1.00 10.21 C ATOM 808 CD1 TYR A 55 -0.666 25.728 -24.777 1.00 24.31 C ATOM 809 CD2 TYR A 55 -2.436 27.077 -23.925 1.00 50.22 C ATOM 810 CE1 TYR A 55 0.063 25.948 -23.624 1.00 45.34 C ATOM 811 CE2 TYR A 55 -1.713 27.304 -22.770 1.00 15.50 C ATOM 812 CZ TYR A 55 -0.464 26.738 -22.624 1.00 75.31 C ATOM 813 OH TYR A 55 0.258 26.960 -21.474 1.00 52.53 O ATOM 0 H TYR A 55 -0.793 25.397 -27.719 1.00 31.10 H new ATOM 0 HA TYR A 55 -3.108 27.143 -28.015 1.00 61.35 H new ATOM 0 HB2 TYR A 55 -3.770 26.262 -26.018 1.00 32.01 H new ATOM 0 HB3 TYR A 55 -2.658 24.985 -26.470 1.00 32.01 H new ATOM 0 HD1 TYR A 55 -0.249 25.111 -25.559 1.00 24.31 H new ATOM 0 HD2 TYR A 55 -3.414 27.521 -24.035 1.00 50.22 H new ATOM 0 HE1 TYR A 55 1.040 25.504 -23.507 1.00 45.34 H new ATOM 0 HE2 TYR A 55 -2.124 27.922 -21.985 1.00 15.50 H new ATOM 0 HH TYR A 55 -0.255 27.538 -20.872 1.00 52.53 H new ATOM 823 N ASP A 56 -2.353 29.243 -26.899 1.00 12.51 N ATOM 824 CA ASP A 56 -1.845 30.534 -26.450 1.00 3.34 C ATOM 825 C ASP A 56 -2.564 30.991 -25.184 1.00 25.32 C ATOM 826 O ASP A 56 -3.621 31.616 -25.250 1.00 74.21 O ATOM 827 CB ASP A 56 -2.010 31.583 -27.551 1.00 23.22 C ATOM 828 CG ASP A 56 -1.210 31.247 -28.794 1.00 45.41 C ATOM 829 OD1 ASP A 56 -0.037 31.669 -28.877 1.00 41.52 O ATOM 830 OD2 ASP A 56 -1.756 30.562 -29.684 1.00 4.05 O ATOM 0 H ASP A 56 -3.329 29.254 -27.195 1.00 12.51 H new ATOM 0 HA ASP A 56 -0.785 30.420 -26.224 1.00 3.34 H new ATOM 0 HB2 ASP A 56 -3.065 31.668 -27.813 1.00 23.22 H new ATOM 0 HB3 ASP A 56 -1.696 32.556 -27.172 1.00 23.22 H new ATOM 835 N ALA A 57 -1.982 30.673 -24.032 1.00 21.31 N ATOM 836 CA ALA A 57 -2.566 31.051 -22.751 1.00 72.21 C ATOM 837 C ALA A 57 -2.897 32.539 -22.717 1.00 34.13 C ATOM 838 O ALA A 57 -3.998 32.930 -22.328 1.00 24.33 O ATOM 839 CB ALA A 57 -1.622 30.692 -21.614 1.00 23.24 C ATOM 0 H ALA A 57 -1.107 30.155 -23.960 1.00 21.31 H new ATOM 0 HA ALA A 57 -3.495 30.496 -22.625 1.00 72.21 H new ATOM 0 HB1 ALA A 57 -2.071 30.980 -20.664 1.00 23.24 H new ATOM 0 HB2 ALA A 57 -1.439 29.617 -21.618 1.00 23.24 H new ATOM 0 HB3 ALA A 57 -0.678 31.221 -21.744 1.00 23.24 H new ATOM 845 N GLN A 58 -1.938 33.363 -23.125 1.00 54.43 N ATOM 846 CA GLN A 58 -2.129 34.809 -23.139 1.00 71.13 C ATOM 847 C GLN A 58 -2.636 35.278 -24.499 1.00 33.00 C ATOM 848 O GLN A 58 -2.170 36.284 -25.035 1.00 22.44 O ATOM 849 CB GLN A 58 -0.819 35.521 -22.797 1.00 71.21 C ATOM 850 CG GLN A 58 -1.009 36.958 -22.341 1.00 51.53 C ATOM 851 CD GLN A 58 -0.044 37.916 -23.012 1.00 63.31 C ATOM 852 OE1 GLN A 58 -0.456 38.852 -23.698 1.00 64.53 O ATOM 853 NE2 GLN A 58 1.250 37.686 -22.817 1.00 15.31 N ATOM 0 H GLN A 58 -1.022 33.055 -23.450 1.00 54.43 H new ATOM 0 HA GLN A 58 -2.877 35.059 -22.387 1.00 71.13 H new ATOM 0 HB2 GLN A 58 -0.307 34.964 -22.012 1.00 71.21 H new ATOM 0 HB3 GLN A 58 -0.169 35.509 -23.672 1.00 71.21 H new ATOM 0 HG2 GLN A 58 -2.031 37.270 -22.553 1.00 51.53 H new ATOM 0 HG3 GLN A 58 -0.877 37.013 -21.260 1.00 51.53 H new ATOM 0 HE21 GLN A 58 1.547 36.898 -22.241 1.00 15.31 H new ATOM 0 HE22 GLN A 58 1.947 38.297 -23.243 1.00 15.31 H new ATOM 862 N LYS A 59 -3.594 34.543 -25.053 1.00 74.12 N ATOM 863 CA LYS A 59 -4.167 34.883 -26.350 1.00 63.04 C ATOM 864 C LYS A 59 -5.247 33.882 -26.748 1.00 1.01 C ATOM 865 O LYS A 59 -4.948 32.765 -27.172 1.00 1.13 O ATOM 866 CB LYS A 59 -3.073 34.920 -27.420 1.00 5.13 C ATOM 867 CG LYS A 59 -3.128 36.153 -28.305 1.00 15.23 C ATOM 868 CD LYS A 59 -1.776 36.454 -28.928 1.00 61.24 C ATOM 869 CE LYS A 59 -1.900 36.739 -30.417 1.00 64.33 C ATOM 870 NZ LYS A 59 -0.614 36.511 -31.134 1.00 75.14 N ATOM 0 H LYS A 59 -3.990 33.707 -24.624 1.00 74.12 H new ATOM 0 HA LYS A 59 -4.623 35.870 -26.270 1.00 63.04 H new ATOM 0 HB2 LYS A 59 -2.099 34.876 -26.933 1.00 5.13 H new ATOM 0 HB3 LYS A 59 -3.158 34.031 -28.045 1.00 5.13 H new ATOM 0 HG2 LYS A 59 -3.867 36.004 -29.092 1.00 15.23 H new ATOM 0 HG3 LYS A 59 -3.457 37.010 -27.717 1.00 15.23 H new ATOM 0 HD2 LYS A 59 -1.327 37.312 -28.428 1.00 61.24 H new ATOM 0 HD3 LYS A 59 -1.106 35.608 -28.773 1.00 61.24 H new ATOM 0 HE2 LYS A 59 -2.673 36.101 -30.846 1.00 64.33 H new ATOM 0 HE3 LYS A 59 -2.220 37.771 -30.564 1.00 64.33 H new ATOM 0 HZ1 LYS A 59 -0.740 36.716 -32.146 1.00 75.14 H new ATOM 0 HZ2 LYS A 59 0.118 37.138 -30.742 1.00 75.14 H new ATOM 0 HZ3 LYS A 59 -0.321 35.520 -31.015 1.00 75.14 H new ATOM 884 N THR A 60 -6.505 34.290 -26.610 1.00 22.53 N ATOM 885 CA THR A 60 -7.629 33.429 -26.955 1.00 33.14 C ATOM 886 C THR A 60 -8.426 34.006 -28.119 1.00 72.40 C ATOM 887 O THR A 60 -8.108 35.078 -28.632 1.00 25.45 O ATOM 888 CB THR A 60 -8.571 33.227 -25.753 1.00 33.23 C ATOM 889 OG1 THR A 60 -8.458 34.333 -24.850 1.00 74.14 O ATOM 890 CG2 THR A 60 -8.245 31.934 -25.021 1.00 73.40 C ATOM 0 H THR A 60 -6.771 35.211 -26.262 1.00 22.53 H new ATOM 0 HA THR A 60 -7.211 32.465 -27.246 1.00 33.14 H new ATOM 0 HB THR A 60 -9.593 33.167 -26.127 1.00 33.23 H new ATOM 0 HG1 THR A 60 -9.061 34.198 -24.090 1.00 74.14 H new ATOM 0 HG21 THR A 60 -8.923 31.813 -24.176 1.00 73.40 H new ATOM 0 HG22 THR A 60 -8.360 31.091 -25.702 1.00 73.40 H new ATOM 0 HG23 THR A 60 -7.217 31.970 -24.659 1.00 73.40 H new ATOM 898 N GLY A 61 -9.466 33.287 -28.532 1.00 63.15 N ATOM 899 CA GLY A 61 -10.293 33.744 -29.634 1.00 3.21 C ATOM 900 C GLY A 61 -10.414 32.710 -30.736 1.00 13.43 C ATOM 901 O GLY A 61 -11.499 32.493 -31.275 1.00 54.33 O ATOM 0 H GLY A 61 -9.750 32.397 -28.123 1.00 63.15 H new ATOM 0 HA2 GLY A 61 -11.287 33.990 -29.260 1.00 3.21 H new ATOM 0 HA3 GLY A 61 -9.871 34.661 -30.045 1.00 3.21 H new ATOM 905 N ARG A 62 -9.298 32.072 -31.072 1.00 12.10 N ATOM 906 CA ARG A 62 -9.284 31.058 -32.119 1.00 20.30 C ATOM 907 C ARG A 62 -7.903 30.421 -32.240 1.00 63.23 C ATOM 908 O ARG A 62 -7.263 30.500 -33.288 1.00 44.34 O ATOM 909 CB ARG A 62 -9.694 31.672 -33.459 1.00 22.51 C ATOM 910 CG ARG A 62 -10.366 30.685 -34.401 1.00 4.55 C ATOM 911 CD ARG A 62 -9.455 30.314 -35.560 1.00 61.32 C ATOM 912 NE ARG A 62 -10.211 29.917 -36.745 1.00 14.31 N ATOM 913 CZ ARG A 62 -10.803 28.735 -36.878 1.00 2.32 C ATOM 914 NH1 ARG A 62 -10.726 27.839 -35.904 1.00 61.31 N ATOM 915 NH2 ARG A 62 -11.473 28.448 -37.986 1.00 53.43 N ATOM 0 H ARG A 62 -8.392 32.239 -30.634 1.00 12.10 H new ATOM 0 HA ARG A 62 -10.000 30.282 -31.849 1.00 20.30 H new ATOM 0 HB2 ARG A 62 -10.372 32.505 -33.275 1.00 22.51 H new ATOM 0 HB3 ARG A 62 -8.810 32.083 -33.947 1.00 22.51 H new ATOM 0 HG2 ARG A 62 -10.642 29.785 -33.851 1.00 4.55 H new ATOM 0 HG3 ARG A 62 -11.289 31.119 -34.786 1.00 4.55 H new ATOM 0 HD2 ARG A 62 -8.816 31.163 -35.805 1.00 61.32 H new ATOM 0 HD3 ARG A 62 -8.799 29.498 -35.258 1.00 61.32 H new ATOM 0 HE ARG A 62 -10.289 30.584 -37.513 1.00 14.31 H new ATOM 0 HH11 ARG A 62 -10.212 28.056 -35.050 1.00 61.31 H new ATOM 0 HH12 ARG A 62 -11.181 26.932 -36.008 1.00 61.31 H new ATOM 0 HH21 ARG A 62 -11.534 29.135 -38.737 1.00 53.43 H new ATOM 0 HH22 ARG A 62 -11.927 27.540 -38.087 1.00 53.43 H new ATOM 929 N GLN A 63 -7.450 29.790 -31.161 1.00 55.51 N ATOM 930 CA GLN A 63 -6.145 29.142 -31.147 1.00 22.50 C ATOM 931 C GLN A 63 -6.292 27.624 -31.123 1.00 64.34 C ATOM 932 O GLN A 63 -7.203 27.086 -30.493 1.00 3.54 O ATOM 933 CB GLN A 63 -5.334 29.606 -29.936 1.00 41.31 C ATOM 934 CG GLN A 63 -5.432 31.101 -29.675 1.00 71.33 C ATOM 935 CD GLN A 63 -5.294 31.924 -30.941 1.00 13.24 C ATOM 936 OE1 GLN A 63 -6.088 32.831 -31.194 1.00 45.31 O ATOM 937 NE2 GLN A 63 -4.284 31.612 -31.743 1.00 45.22 N ATOM 0 H GLN A 63 -7.968 29.714 -30.286 1.00 55.51 H new ATOM 0 HA GLN A 63 -5.618 29.424 -32.058 1.00 22.50 H new ATOM 0 HB2 GLN A 63 -5.676 29.068 -29.052 1.00 41.31 H new ATOM 0 HB3 GLN A 63 -4.288 29.340 -30.086 1.00 41.31 H new ATOM 0 HG2 GLN A 63 -6.390 31.322 -29.205 1.00 71.33 H new ATOM 0 HG3 GLN A 63 -4.655 31.395 -28.969 1.00 71.33 H new ATOM 0 HE21 GLN A 63 -3.650 30.853 -31.493 1.00 45.22 H new ATOM 0 HE22 GLN A 63 -4.141 32.132 -32.609 1.00 45.22 H new ATOM 946 N THR A 64 -5.389 26.936 -31.816 1.00 24.25 N ATOM 947 CA THR A 64 -5.418 25.480 -31.875 1.00 73.14 C ATOM 948 C THR A 64 -4.819 24.866 -30.616 1.00 20.53 C ATOM 949 O THR A 64 -4.017 25.496 -29.926 1.00 0.52 O ATOM 950 CB THR A 64 -4.653 24.953 -33.104 1.00 74.50 C ATOM 951 OG1 THR A 64 -3.588 25.848 -33.440 1.00 10.54 O ATOM 952 CG2 THR A 64 -5.586 24.796 -34.296 1.00 2.31 C ATOM 0 H THR A 64 -4.629 27.364 -32.344 1.00 24.25 H new ATOM 0 HA THR A 64 -6.465 25.188 -31.955 1.00 73.14 H new ATOM 0 HB THR A 64 -4.240 23.976 -32.855 1.00 74.50 H new ATOM 0 HG1 THR A 64 -3.106 25.504 -34.221 1.00 10.54 H new ATOM 0 HG21 THR A 64 -5.023 24.423 -35.152 1.00 2.31 H new ATOM 0 HG22 THR A 64 -6.379 24.090 -34.047 1.00 2.31 H new ATOM 0 HG23 THR A 64 -6.025 25.762 -34.544 1.00 2.31 H new ATOM 960 N LEU A 65 -5.212 23.631 -30.321 1.00 3.33 N ATOM 961 CA LEU A 65 -4.712 22.930 -29.143 1.00 11.31 C ATOM 962 C LEU A 65 -4.598 21.433 -29.408 1.00 62.43 C ATOM 963 O LEU A 65 -5.603 20.743 -29.584 1.00 10.12 O ATOM 964 CB LEU A 65 -5.634 23.179 -27.948 1.00 1.22 C ATOM 965 CG LEU A 65 -5.518 24.552 -27.285 1.00 41.32 C ATOM 966 CD1 LEU A 65 -6.652 25.460 -27.736 1.00 31.14 C ATOM 967 CD2 LEU A 65 -5.513 24.415 -25.770 1.00 25.53 C ATOM 0 H LEU A 65 -5.875 23.095 -30.881 1.00 3.33 H new ATOM 0 HA LEU A 65 -3.719 23.316 -28.915 1.00 11.31 H new ATOM 0 HB2 LEU A 65 -6.665 23.042 -28.275 1.00 1.22 H new ATOM 0 HB3 LEU A 65 -5.434 22.416 -27.195 1.00 1.22 H new ATOM 0 HG LEU A 65 -4.574 25.003 -27.592 1.00 41.32 H new ATOM 0 HD11 LEU A 65 -6.553 26.433 -27.254 1.00 31.14 H new ATOM 0 HD12 LEU A 65 -6.609 25.585 -28.818 1.00 31.14 H new ATOM 0 HD13 LEU A 65 -7.607 25.014 -27.460 1.00 31.14 H new ATOM 0 HD21 LEU A 65 -5.430 25.402 -25.316 1.00 25.53 H new ATOM 0 HD22 LEU A 65 -6.440 23.943 -25.444 1.00 25.53 H new ATOM 0 HD23 LEU A 65 -4.666 23.802 -25.463 1.00 25.53 H new ATOM 979 N THR A 66 -3.366 20.934 -29.434 1.00 62.43 N ATOM 980 CA THR A 66 -3.120 19.518 -29.677 1.00 24.22 C ATOM 981 C THR A 66 -2.593 18.829 -28.423 1.00 72.42 C ATOM 982 O THR A 66 -1.486 19.113 -27.964 1.00 52.21 O ATOM 983 CB THR A 66 -2.112 19.311 -30.824 1.00 13.22 C ATOM 984 OG1 THR A 66 -1.717 20.578 -31.363 1.00 31.42 O ATOM 985 CG2 THR A 66 -2.715 18.451 -31.925 1.00 2.53 C ATOM 0 H THR A 66 -2.523 21.490 -29.290 1.00 62.43 H new ATOM 0 HA THR A 66 -4.075 19.075 -29.958 1.00 24.22 H new ATOM 0 HB THR A 66 -1.237 18.799 -30.423 1.00 13.22 H new ATOM 0 HG1 THR A 66 -1.310 21.122 -30.656 1.00 31.42 H new ATOM 0 HG21 THR A 66 -1.985 18.318 -32.724 1.00 2.53 H new ATOM 0 HG22 THR A 66 -2.988 17.478 -31.518 1.00 2.53 H new ATOM 0 HG23 THR A 66 -3.604 18.940 -32.323 1.00 2.53 H new ATOM 993 N LEU A 67 -3.392 17.921 -27.873 1.00 60.34 N ATOM 994 CA LEU A 67 -3.006 17.189 -26.672 1.00 2.23 C ATOM 995 C LEU A 67 -2.478 15.802 -27.024 1.00 54.15 C ATOM 996 O LEU A 67 -3.095 15.070 -27.799 1.00 55.21 O ATOM 997 CB LEU A 67 -4.197 17.067 -25.720 1.00 52.40 C ATOM 998 CG LEU A 67 -5.169 15.922 -26.005 1.00 33.14 C ATOM 999 CD1 LEU A 67 -4.742 14.663 -25.266 1.00 43.12 C ATOM 1000 CD2 LEU A 67 -6.587 16.316 -25.615 1.00 25.23 C ATOM 0 H LEU A 67 -4.311 17.674 -28.240 1.00 60.34 H new ATOM 0 HA LEU A 67 -2.209 17.746 -26.179 1.00 2.23 H new ATOM 0 HB2 LEU A 67 -3.815 16.949 -24.706 1.00 52.40 H new ATOM 0 HB3 LEU A 67 -4.753 18.004 -25.744 1.00 52.40 H new ATOM 0 HG LEU A 67 -5.152 15.715 -27.075 1.00 33.14 H new ATOM 0 HD11 LEU A 67 -5.446 13.859 -25.481 1.00 43.12 H new ATOM 0 HD12 LEU A 67 -3.745 14.370 -25.593 1.00 43.12 H new ATOM 0 HD13 LEU A 67 -4.729 14.857 -24.194 1.00 43.12 H new ATOM 0 HD21 LEU A 67 -7.265 15.489 -25.825 1.00 25.23 H new ATOM 0 HD22 LEU A 67 -6.620 16.551 -24.551 1.00 25.23 H new ATOM 0 HD23 LEU A 67 -6.893 17.191 -26.189 1.00 25.23 H new ATOM 1012 N HIS A 68 -1.334 15.446 -26.449 1.00 71.24 N ATOM 1013 CA HIS A 68 -0.725 14.145 -26.701 1.00 23.30 C ATOM 1014 C HIS A 68 -0.527 13.376 -25.398 1.00 14.12 C ATOM 1015 O HIS A 68 0.026 13.903 -24.432 1.00 53.34 O ATOM 1016 CB HIS A 68 0.617 14.316 -27.414 1.00 30.40 C ATOM 1017 CG HIS A 68 0.490 14.492 -28.896 1.00 14.42 C ATOM 1018 ND1 HIS A 68 0.039 15.658 -29.479 1.00 32.13 N ATOM 1019 CD2 HIS A 68 0.759 13.643 -29.915 1.00 54.30 C ATOM 1020 CE1 HIS A 68 0.034 15.518 -30.792 1.00 64.52 C ATOM 1021 NE2 HIS A 68 0.467 14.304 -31.083 1.00 43.00 N ATOM 0 H HIS A 68 -0.810 16.040 -25.806 1.00 71.24 H new ATOM 0 HA HIS A 68 -1.398 13.574 -27.341 1.00 23.30 H new ATOM 0 HB2 HIS A 68 1.133 15.181 -26.997 1.00 30.40 H new ATOM 0 HB3 HIS A 68 1.240 13.445 -27.212 1.00 30.40 H new ATOM 0 HD2 HIS A 68 1.133 12.634 -29.826 1.00 54.30 H new ATOM 0 HE1 HIS A 68 -0.272 16.268 -31.506 1.00 64.52 H new ATOM 0 HE2 HIS A 68 0.568 13.920 -32.023 1.00 43.00 H new ATOM 1029 N TYR A 69 -0.984 12.129 -25.378 1.00 22.15 N ATOM 1030 CA TYR A 69 -0.860 11.289 -24.192 1.00 54.00 C ATOM 1031 C TYR A 69 -0.509 9.855 -24.575 1.00 25.33 C ATOM 1032 O TYR A 69 -1.288 9.169 -25.236 1.00 22.12 O ATOM 1033 CB TYR A 69 -2.162 11.310 -23.389 1.00 20.31 C ATOM 1034 CG TYR A 69 -2.026 10.728 -22.000 1.00 61.31 C ATOM 1035 CD1 TYR A 69 -0.925 11.024 -21.206 1.00 44.33 C ATOM 1036 CD2 TYR A 69 -2.998 9.881 -21.482 1.00 25.50 C ATOM 1037 CE1 TYR A 69 -0.795 10.494 -19.937 1.00 15.40 C ATOM 1038 CE2 TYR A 69 -2.877 9.347 -20.213 1.00 55.23 C ATOM 1039 CZ TYR A 69 -1.775 9.657 -19.445 1.00 23.11 C ATOM 1040 OH TYR A 69 -1.651 9.127 -18.181 1.00 63.52 O ATOM 0 H TYR A 69 -1.443 11.677 -26.169 1.00 22.15 H new ATOM 0 HA TYR A 69 -0.054 11.689 -23.576 1.00 54.00 H new ATOM 0 HB2 TYR A 69 -2.514 12.339 -23.310 1.00 20.31 H new ATOM 0 HB3 TYR A 69 -2.924 10.753 -23.934 1.00 20.31 H new ATOM 0 HD1 TYR A 69 -0.157 11.680 -21.588 1.00 44.33 H new ATOM 0 HD2 TYR A 69 -3.863 9.636 -22.081 1.00 25.50 H new ATOM 0 HE1 TYR A 69 0.068 10.733 -19.334 1.00 15.40 H new ATOM 0 HE2 TYR A 69 -3.642 8.690 -19.825 1.00 55.23 H new ATOM 0 HH TYR A 69 -1.148 9.748 -17.614 1.00 63.52 H new ATOM 1050 N GLN A 70 0.671 9.409 -24.153 1.00 75.01 N ATOM 1051 CA GLN A 70 1.126 8.056 -24.451 1.00 44.53 C ATOM 1052 C GLN A 70 1.344 7.873 -25.950 1.00 2.33 C ATOM 1053 O GLN A 70 2.471 7.953 -26.438 1.00 14.22 O ATOM 1054 CB GLN A 70 0.113 7.030 -23.942 1.00 40.10 C ATOM 1055 CG GLN A 70 0.547 6.328 -22.665 1.00 41.43 C ATOM 1056 CD GLN A 70 1.623 5.288 -22.908 1.00 35.11 C ATOM 1057 OE1 GLN A 70 2.816 5.578 -22.815 1.00 54.23 O ATOM 1058 NE2 GLN A 70 1.205 4.067 -23.220 1.00 62.44 N ATOM 0 H GLN A 70 1.328 9.964 -23.605 1.00 75.01 H new ATOM 0 HA GLN A 70 2.077 7.899 -23.942 1.00 44.53 H new ATOM 0 HB2 GLN A 70 -0.840 7.529 -23.766 1.00 40.10 H new ATOM 0 HB3 GLN A 70 -0.056 6.283 -24.718 1.00 40.10 H new ATOM 0 HG2 GLN A 70 0.916 7.068 -21.955 1.00 41.43 H new ATOM 0 HG3 GLN A 70 -0.318 5.850 -22.206 1.00 41.43 H new ATOM 0 HE21 GLN A 70 0.206 3.871 -23.286 1.00 62.44 H new ATOM 0 HE22 GLN A 70 1.883 3.325 -23.394 1.00 62.44 H new ATOM 1067 N GLY A 71 0.257 7.627 -26.675 1.00 64.31 N ATOM 1068 CA GLY A 71 0.351 7.436 -28.111 1.00 23.54 C ATOM 1069 C GLY A 71 -0.865 7.962 -28.846 1.00 42.24 C ATOM 1070 O GLY A 71 -1.061 7.669 -30.026 1.00 62.03 O ATOM 0 H GLY A 71 -0.687 7.557 -26.294 1.00 64.31 H new ATOM 0 HA2 GLY A 71 1.243 7.939 -28.484 1.00 23.54 H new ATOM 0 HA3 GLY A 71 0.471 6.374 -28.326 1.00 23.54 H new ATOM 1074 N HIS A 72 -1.685 8.741 -28.149 1.00 15.04 N ATOM 1075 CA HIS A 72 -2.890 9.309 -28.743 1.00 52.02 C ATOM 1076 C HIS A 72 -2.768 10.824 -28.877 1.00 65.15 C ATOM 1077 O HIS A 72 -2.063 11.469 -28.102 1.00 15.51 O ATOM 1078 CB HIS A 72 -4.115 8.958 -27.899 1.00 35.22 C ATOM 1079 CG HIS A 72 -4.811 7.708 -28.343 1.00 62.11 C ATOM 1080 ND1 HIS A 72 -4.166 6.681 -29.000 1.00 32.24 N ATOM 1081 CD2 HIS A 72 -6.102 7.322 -28.220 1.00 74.14 C ATOM 1082 CE1 HIS A 72 -5.031 5.718 -29.263 1.00 35.10 C ATOM 1083 NE2 HIS A 72 -6.214 6.082 -28.800 1.00 43.00 N ATOM 0 H HIS A 72 -1.537 8.994 -27.172 1.00 15.04 H new ATOM 0 HA HIS A 72 -3.010 8.882 -29.739 1.00 52.02 H new ATOM 0 HB2 HIS A 72 -3.809 8.844 -26.859 1.00 35.22 H new ATOM 0 HB3 HIS A 72 -4.820 9.789 -27.934 1.00 35.22 H new ATOM 0 HD2 HIS A 72 -6.897 7.884 -27.753 1.00 74.14 H new ATOM 0 HE1 HIS A 72 -4.809 4.791 -29.770 1.00 35.10 H new ATOM 0 HE2 HIS A 72 -7.071 5.532 -28.863 1.00 43.00 H new ATOM 1091 N GLU A 73 -3.457 11.383 -29.867 1.00 42.31 N ATOM 1092 CA GLU A 73 -3.423 12.822 -30.103 1.00 23.12 C ATOM 1093 C GLU A 73 -4.814 13.351 -30.439 1.00 1.20 C ATOM 1094 O GLU A 73 -5.547 12.748 -31.223 1.00 11.41 O ATOM 1095 CB GLU A 73 -2.451 13.152 -31.238 1.00 13.20 C ATOM 1096 CG GLU A 73 -2.943 12.713 -32.607 1.00 21.11 C ATOM 1097 CD GLU A 73 -2.003 13.123 -33.724 1.00 2.23 C ATOM 1098 OE1 GLU A 73 -1.963 14.327 -34.054 1.00 61.44 O ATOM 1099 OE2 GLU A 73 -1.307 12.240 -34.267 1.00 24.12 O ATOM 0 H GLU A 73 -4.045 10.862 -30.518 1.00 42.31 H new ATOM 0 HA GLU A 73 -3.080 13.307 -29.189 1.00 23.12 H new ATOM 0 HB2 GLU A 73 -2.274 14.227 -31.252 1.00 13.20 H new ATOM 0 HB3 GLU A 73 -1.493 12.674 -31.035 1.00 13.20 H new ATOM 0 HG2 GLU A 73 -3.061 11.629 -32.616 1.00 21.11 H new ATOM 0 HG3 GLU A 73 -3.928 13.143 -32.790 1.00 21.11 H new ATOM 1106 N VAL A 74 -5.171 14.483 -29.839 1.00 60.35 N ATOM 1107 CA VAL A 74 -6.473 15.095 -30.075 1.00 33.53 C ATOM 1108 C VAL A 74 -6.330 16.566 -30.447 1.00 30.11 C ATOM 1109 O VAL A 74 -5.505 17.283 -29.880 1.00 35.21 O ATOM 1110 CB VAL A 74 -7.381 14.976 -28.836 1.00 72.42 C ATOM 1111 CG1 VAL A 74 -8.798 15.417 -29.169 1.00 35.35 C ATOM 1112 CG2 VAL A 74 -7.369 13.551 -28.302 1.00 3.53 C ATOM 0 H VAL A 74 -4.577 14.994 -29.186 1.00 60.35 H new ATOM 0 HA VAL A 74 -6.930 14.557 -30.905 1.00 33.53 H new ATOM 0 HB VAL A 74 -6.994 15.634 -28.058 1.00 72.42 H new ATOM 0 HG11 VAL A 74 -9.425 15.326 -28.282 1.00 35.35 H new ATOM 0 HG12 VAL A 74 -8.787 16.455 -29.501 1.00 35.35 H new ATOM 0 HG13 VAL A 74 -9.198 14.786 -29.963 1.00 35.35 H new ATOM 0 HG21 VAL A 74 -8.016 13.485 -27.427 1.00 3.53 H new ATOM 0 HG22 VAL A 74 -7.731 12.871 -29.073 1.00 3.53 H new ATOM 0 HG23 VAL A 74 -6.352 13.275 -28.023 1.00 3.53 H new ATOM 1122 N SER A 75 -7.139 17.010 -31.404 1.00 1.24 N ATOM 1123 CA SER A 75 -7.100 18.396 -31.855 1.00 13.45 C ATOM 1124 C SER A 75 -8.358 19.144 -31.422 1.00 21.35 C ATOM 1125 O SER A 75 -9.472 18.639 -31.560 1.00 55.31 O ATOM 1126 CB SER A 75 -6.957 18.456 -33.377 1.00 24.15 C ATOM 1127 OG SER A 75 -8.224 18.523 -34.006 1.00 73.12 O ATOM 0 H SER A 75 -7.829 16.430 -31.882 1.00 1.24 H new ATOM 0 HA SER A 75 -6.236 18.877 -31.397 1.00 13.45 H new ATOM 0 HB2 SER A 75 -6.363 19.326 -33.655 1.00 24.15 H new ATOM 0 HB3 SER A 75 -6.419 17.576 -33.730 1.00 24.15 H new ATOM 0 HG SER A 75 -8.105 18.562 -34.978 1.00 73.12 H new ATOM 1133 N PHE A 76 -8.170 20.350 -30.896 1.00 74.21 N ATOM 1134 CA PHE A 76 -9.289 21.168 -30.441 1.00 64.22 C ATOM 1135 C PHE A 76 -9.020 22.648 -30.698 1.00 24.24 C ATOM 1136 O PHE A 76 -7.916 23.031 -31.088 1.00 35.33 O ATOM 1137 CB PHE A 76 -9.545 20.935 -28.951 1.00 10.33 C ATOM 1138 CG PHE A 76 -10.328 19.686 -28.665 1.00 73.00 C ATOM 1139 CD1 PHE A 76 -11.530 19.444 -29.310 1.00 35.53 C ATOM 1140 CD2 PHE A 76 -9.863 18.754 -27.751 1.00 45.32 C ATOM 1141 CE1 PHE A 76 -12.254 18.295 -29.049 1.00 64.43 C ATOM 1142 CE2 PHE A 76 -10.581 17.604 -27.487 1.00 70.42 C ATOM 1143 CZ PHE A 76 -11.779 17.374 -28.136 1.00 4.00 C ATOM 0 H PHE A 76 -7.254 20.782 -30.774 1.00 74.21 H new ATOM 0 HA PHE A 76 -10.175 20.875 -31.005 1.00 64.22 H new ATOM 0 HB2 PHE A 76 -8.589 20.882 -28.430 1.00 10.33 H new ATOM 0 HB3 PHE A 76 -10.082 21.792 -28.545 1.00 10.33 H new ATOM 0 HD1 PHE A 76 -11.906 20.161 -30.025 1.00 35.53 H new ATOM 0 HD2 PHE A 76 -8.928 18.929 -27.239 1.00 45.32 H new ATOM 0 HE1 PHE A 76 -13.190 18.118 -29.558 1.00 64.43 H new ATOM 0 HE2 PHE A 76 -10.206 16.885 -26.774 1.00 70.42 H new ATOM 0 HZ PHE A 76 -12.343 16.476 -27.930 1.00 4.00 H new ATOM 1153 N ASP A 77 -10.036 23.474 -30.476 1.00 44.53 N ATOM 1154 CA ASP A 77 -9.910 24.913 -30.683 1.00 31.45 C ATOM 1155 C ASP A 77 -10.424 25.682 -29.470 1.00 54.41 C ATOM 1156 O ASP A 77 -11.339 25.234 -28.779 1.00 31.20 O ATOM 1157 CB ASP A 77 -10.677 25.339 -31.935 1.00 62.45 C ATOM 1158 CG ASP A 77 -10.199 24.617 -33.180 1.00 70.40 C ATOM 1159 OD1 ASP A 77 -8.974 24.417 -33.317 1.00 44.21 O ATOM 1160 OD2 ASP A 77 -11.050 24.250 -34.017 1.00 15.25 O ATOM 0 H ASP A 77 -10.955 23.173 -30.153 1.00 44.53 H new ATOM 0 HA ASP A 77 -8.854 25.145 -30.818 1.00 31.45 H new ATOM 0 HB2 ASP A 77 -11.740 25.144 -31.791 1.00 62.45 H new ATOM 0 HB3 ASP A 77 -10.567 26.414 -32.077 1.00 62.45 H new ATOM 1165 N VAL A 78 -9.829 26.844 -29.217 1.00 34.22 N ATOM 1166 CA VAL A 78 -10.227 27.676 -28.088 1.00 11.32 C ATOM 1167 C VAL A 78 -10.724 29.039 -28.558 1.00 22.12 C ATOM 1168 O VAL A 78 -10.140 29.650 -29.454 1.00 61.41 O ATOM 1169 CB VAL A 78 -9.061 27.879 -27.102 1.00 13.31 C ATOM 1170 CG1 VAL A 78 -7.882 28.542 -27.798 1.00 73.10 C ATOM 1171 CG2 VAL A 78 -9.514 28.700 -25.904 1.00 41.40 C ATOM 0 H VAL A 78 -9.070 27.230 -29.779 1.00 34.22 H new ATOM 0 HA VAL A 78 -11.037 27.153 -27.579 1.00 11.32 H new ATOM 0 HB VAL A 78 -8.737 26.902 -26.743 1.00 13.31 H new ATOM 0 HG11 VAL A 78 -7.068 28.677 -27.086 1.00 73.10 H new ATOM 0 HG12 VAL A 78 -7.544 27.912 -28.620 1.00 73.10 H new ATOM 0 HG13 VAL A 78 -8.188 29.513 -28.187 1.00 73.10 H new ATOM 0 HG21 VAL A 78 -8.678 28.834 -25.218 1.00 41.40 H new ATOM 0 HG22 VAL A 78 -9.865 29.675 -26.243 1.00 41.40 H new ATOM 0 HG23 VAL A 78 -10.324 28.180 -25.392 1.00 41.40 H new ATOM 1181 N LEU A 79 -11.805 29.511 -27.947 1.00 70.02 N ATOM 1182 CA LEU A 79 -12.381 30.803 -28.302 1.00 54.24 C ATOM 1183 C LEU A 79 -12.905 31.524 -27.065 1.00 15.42 C ATOM 1184 O LEU A 79 -13.580 30.928 -26.225 1.00 4.23 O ATOM 1185 CB LEU A 79 -13.512 30.618 -29.316 1.00 11.21 C ATOM 1186 CG LEU A 79 -13.152 29.857 -30.592 1.00 63.11 C ATOM 1187 CD1 LEU A 79 -13.363 28.363 -30.400 1.00 45.12 C ATOM 1188 CD2 LEU A 79 -13.973 30.367 -31.767 1.00 71.33 C ATOM 0 H LEU A 79 -12.300 29.018 -27.204 1.00 70.02 H new ATOM 0 HA LEU A 79 -11.596 31.412 -28.750 1.00 54.24 H new ATOM 0 HB2 LEU A 79 -14.332 30.095 -28.824 1.00 11.21 H new ATOM 0 HB3 LEU A 79 -13.885 31.603 -29.597 1.00 11.21 H new ATOM 0 HG LEU A 79 -12.098 30.029 -30.810 1.00 63.11 H new ATOM 0 HD11 LEU A 79 -13.102 27.838 -31.319 1.00 45.12 H new ATOM 0 HD12 LEU A 79 -12.731 28.008 -29.586 1.00 45.12 H new ATOM 0 HD13 LEU A 79 -14.408 28.171 -30.157 1.00 45.12 H new ATOM 0 HD21 LEU A 79 -13.703 29.814 -32.667 1.00 71.33 H new ATOM 0 HD22 LEU A 79 -15.033 30.226 -31.558 1.00 71.33 H new ATOM 0 HD23 LEU A 79 -13.771 31.427 -31.919 1.00 71.33 H new ATOM 1200 N VAL A 80 -12.593 32.812 -26.960 1.00 2.14 N ATOM 1201 CA VAL A 80 -13.035 33.616 -25.827 1.00 2.15 C ATOM 1202 C VAL A 80 -13.945 34.752 -26.280 1.00 62.03 C ATOM 1203 O VAL A 80 -13.669 35.422 -27.275 1.00 51.32 O ATOM 1204 CB VAL A 80 -11.839 34.207 -25.057 1.00 44.53 C ATOM 1205 CG1 VAL A 80 -11.125 35.253 -25.901 1.00 32.11 C ATOM 1206 CG2 VAL A 80 -12.298 34.801 -23.734 1.00 25.11 C ATOM 0 H VAL A 80 -12.036 33.321 -27.646 1.00 2.14 H new ATOM 0 HA VAL A 80 -13.591 32.951 -25.166 1.00 2.15 H new ATOM 0 HB VAL A 80 -11.134 33.404 -24.843 1.00 44.53 H new ATOM 0 HG11 VAL A 80 -10.283 35.660 -25.341 1.00 32.11 H new ATOM 0 HG12 VAL A 80 -10.761 34.793 -26.820 1.00 32.11 H new ATOM 0 HG13 VAL A 80 -11.819 36.057 -26.148 1.00 32.11 H new ATOM 0 HG21 VAL A 80 -11.440 35.214 -23.203 1.00 25.11 H new ATOM 0 HG22 VAL A 80 -13.023 35.593 -23.923 1.00 25.11 H new ATOM 0 HG23 VAL A 80 -12.760 34.023 -23.127 1.00 25.11 H new ATOM 1216 N SER A 81 -15.031 34.963 -25.544 1.00 1.13 N ATOM 1217 CA SER A 81 -15.984 36.016 -25.872 1.00 54.31 C ATOM 1218 C SER A 81 -16.377 36.802 -24.625 1.00 31.14 C ATOM 1219 O SER A 81 -16.208 36.346 -23.494 1.00 21.34 O ATOM 1220 CB SER A 81 -17.232 35.418 -26.526 1.00 2.52 C ATOM 1221 OG SER A 81 -17.062 34.034 -26.778 1.00 1.42 O ATOM 0 H SER A 81 -15.273 34.418 -24.716 1.00 1.13 H new ATOM 0 HA SER A 81 -15.505 36.699 -26.574 1.00 54.31 H new ATOM 0 HB2 SER A 81 -18.095 35.569 -25.877 1.00 2.52 H new ATOM 0 HB3 SER A 81 -17.441 35.938 -27.461 1.00 2.52 H new ATOM 0 HG SER A 81 -17.873 33.675 -27.194 1.00 1.42 H new ATOM 1227 N PRO A 82 -16.915 38.013 -24.834 1.00 23.12 N ATOM 1228 CA PRO A 82 -17.343 38.888 -23.739 1.00 54.52 C ATOM 1229 C PRO A 82 -18.579 38.356 -23.021 1.00 3.11 C ATOM 1230 O PRO A 82 -19.701 38.493 -23.509 1.00 2.34 O ATOM 1231 CB PRO A 82 -17.663 40.209 -24.445 1.00 62.42 C ATOM 1232 CG PRO A 82 -17.999 39.819 -25.843 1.00 64.23 C ATOM 1233 CD PRO A 82 -17.146 38.620 -26.155 1.00 42.22 C ATOM 0 HA PRO A 82 -16.580 38.975 -22.965 1.00 54.52 H new ATOM 0 HB2 PRO A 82 -18.497 40.722 -23.966 1.00 62.42 H new ATOM 0 HB3 PRO A 82 -16.812 40.889 -24.417 1.00 62.42 H new ATOM 0 HG2 PRO A 82 -19.058 39.580 -25.937 1.00 64.23 H new ATOM 0 HG3 PRO A 82 -17.794 40.635 -26.536 1.00 64.23 H new ATOM 0 HD2 PRO A 82 -17.653 37.931 -26.831 1.00 42.22 H new ATOM 0 HD3 PRO A 82 -16.210 38.906 -26.635 1.00 42.22 H new