USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 691 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 66 GLN : amide:sc= -0.181 K(o=0.069,f=-2) USER MOD Set 1.3: A 70 LYS NZ :NH3+ -173:sc= 0.25 (180deg=0) USER MOD Set 2.1: A 4 SER OG : rot -74:sc= 0.173! USER MOD Set 2.2: A 11 THR OG1 : rot 151:sc= 0.846 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0388 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.6! USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HE2:sc= -2.89! C(o=-2.9!,f=-9.2!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0744 USER MOD Single : A 16 THR OG1 : rot 99:sc= 0.926 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 70:sc= 1.19 USER MOD Single : A 41 GLN : amide:sc= 0.241 K(o=0.24,f=-8.2!) USER MOD Single : A 44 SER OG : rot 50:sc= -1.53! USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 SER OG : rot -131:sc= 1.1 USER MOD Single : A 51 SER OG : rot -81:sc= -0.0288 USER MOD Single : A 58 THR OG1 : rot 177:sc= 0.0812 USER MOD Single : A 59 LYS NZ :NH3+ -152:sc= -0.183! (180deg=-0.885!) USER MOD Single : A 67 TYR OH : rot -163:sc= 1.14 USER MOD Single : A 68 SER OG : rot 25:sc= 1.18 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -161:sc= 0.954 (180deg=0.297) USER MOD Single : A 79 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.14) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 50:sc= 1.15 USER MOD Single : A 84 ASN : amide:sc= 0.948 K(o=0.95,f=-1.2) USER MOD Single : A 89 HIS : no HE2:sc= 0.396 K(o=0.4,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.378 -35.403 -6.252 1.00 4.91 N ATOM 2 CA GLY A 1 -5.730 -35.685 -4.928 1.00 4.55 C ATOM 3 C GLY A 1 -6.186 -34.651 -3.887 1.00 4.13 C ATOM 4 O GLY A 1 -7.302 -34.177 -3.934 1.00 4.29 O ATOM 0 H1 GLY A 1 -6.671 -36.298 -6.693 1.00 4.91 H new ATOM 0 H2 GLY A 1 -7.212 -34.798 -6.109 1.00 4.91 H new ATOM 0 H3 GLY A 1 -5.701 -34.917 -6.874 1.00 4.91 H new ATOM 0 HA2 GLY A 1 -5.991 -36.689 -4.593 1.00 4.55 H new ATOM 0 HA3 GLY A 1 -4.645 -35.655 -5.031 1.00 4.55 H new ATOM 10 N SER A 2 -5.333 -34.306 -2.949 1.00 3.83 N ATOM 11 CA SER A 2 -5.716 -33.304 -1.896 1.00 3.59 C ATOM 12 C SER A 2 -5.819 -31.883 -2.489 1.00 3.36 C ATOM 13 O SER A 2 -5.731 -31.695 -3.686 1.00 3.37 O ATOM 14 CB SER A 2 -4.595 -33.396 -0.845 1.00 3.45 C ATOM 15 OG SER A 2 -4.212 -32.097 -0.411 1.00 3.19 O ATOM 0 H SER A 2 -4.386 -34.675 -2.866 1.00 3.83 H new ATOM 0 HA SER A 2 -6.696 -33.512 -1.466 1.00 3.59 H new ATOM 0 HB2 SER A 2 -4.934 -33.985 0.007 1.00 3.45 H new ATOM 0 HB3 SER A 2 -3.734 -33.913 -1.268 1.00 3.45 H new ATOM 0 HG SER A 2 -3.500 -32.172 0.258 1.00 3.19 H new ATOM 21 N MET A 3 -6.003 -30.881 -1.659 1.00 3.27 N ATOM 22 CA MET A 3 -6.104 -29.479 -2.183 1.00 3.17 C ATOM 23 C MET A 3 -4.704 -28.862 -2.368 1.00 2.71 C ATOM 24 O MET A 3 -4.509 -28.004 -3.208 1.00 2.67 O ATOM 25 CB MET A 3 -6.930 -28.700 -1.143 1.00 3.41 C ATOM 26 CG MET A 3 -6.107 -28.453 0.128 1.00 3.26 C ATOM 27 SD MET A 3 -7.163 -28.594 1.590 1.00 3.67 S ATOM 28 CE MET A 3 -5.897 -28.197 2.823 1.00 3.94 C ATOM 0 H MET A 3 -6.087 -30.973 -0.647 1.00 3.27 H new ATOM 0 HA MET A 3 -6.580 -29.448 -3.163 1.00 3.17 H new ATOM 0 HB2 MET A 3 -7.251 -27.748 -1.565 1.00 3.41 H new ATOM 0 HB3 MET A 3 -7.832 -29.259 -0.895 1.00 3.41 H new ATOM 0 HG2 MET A 3 -5.291 -29.174 0.188 1.00 3.26 H new ATOM 0 HG3 MET A 3 -5.655 -27.462 0.091 1.00 3.26 H new ATOM 0 HE1 MET A 3 -6.338 -28.226 3.819 1.00 3.94 H new ATOM 0 HE2 MET A 3 -5.089 -28.926 2.762 1.00 3.94 H new ATOM 0 HE3 MET A 3 -5.502 -27.200 2.630 1.00 3.94 H new ATOM 38 N SER A 4 -3.722 -29.302 -1.613 1.00 2.54 N ATOM 39 CA SER A 4 -2.341 -28.739 -1.783 1.00 2.29 C ATOM 40 C SER A 4 -1.432 -29.776 -2.447 1.00 2.39 C ATOM 41 O SER A 4 -0.365 -30.095 -1.964 1.00 2.58 O ATOM 42 CB SER A 4 -1.843 -28.393 -0.380 1.00 2.37 C ATOM 43 OG SER A 4 -1.133 -27.157 -0.442 1.00 2.26 O ATOM 0 H SER A 4 -3.815 -30.019 -0.894 1.00 2.54 H new ATOM 0 HA SER A 4 -2.341 -27.856 -2.422 1.00 2.29 H new ATOM 0 HB2 SER A 4 -2.683 -28.313 0.311 1.00 2.37 H new ATOM 0 HB3 SER A 4 -1.194 -29.184 -0.003 1.00 2.37 H new ATOM 0 HG SER A 4 -0.261 -27.302 -0.864 1.00 2.26 H new ATOM 49 N ILE A 5 -1.862 -30.300 -3.558 1.00 2.47 N ATOM 50 CA ILE A 5 -1.053 -31.319 -4.286 1.00 2.72 C ATOM 51 C ILE A 5 -0.324 -30.674 -5.475 1.00 2.61 C ATOM 52 O ILE A 5 -0.211 -29.465 -5.560 1.00 2.39 O ATOM 53 CB ILE A 5 -2.064 -32.383 -4.754 1.00 2.99 C ATOM 54 CG1 ILE A 5 -3.357 -31.750 -5.298 1.00 2.92 C ATOM 55 CG2 ILE A 5 -2.427 -33.266 -3.566 1.00 3.27 C ATOM 56 CD1 ILE A 5 -3.043 -30.820 -6.471 1.00 2.78 C ATOM 0 H ILE A 5 -2.751 -30.064 -4.000 1.00 2.47 H new ATOM 0 HA ILE A 5 -0.280 -31.759 -3.657 1.00 2.72 H new ATOM 0 HB ILE A 5 -1.600 -32.957 -5.556 1.00 2.99 H new ATOM 0 HG12 ILE A 5 -4.045 -32.532 -5.620 1.00 2.92 H new ATOM 0 HG13 ILE A 5 -3.857 -31.192 -4.507 1.00 2.92 H new ATOM 0 HG21 ILE A 5 -3.143 -34.025 -3.882 1.00 3.27 H new ATOM 0 HG22 ILE A 5 -1.528 -33.751 -3.185 1.00 3.27 H new ATOM 0 HG23 ILE A 5 -2.870 -32.654 -2.780 1.00 3.27 H new ATOM 0 HD11 ILE A 5 -3.968 -30.380 -6.844 1.00 2.78 H new ATOM 0 HD12 ILE A 5 -2.373 -30.027 -6.138 1.00 2.78 H new ATOM 0 HD13 ILE A 5 -2.564 -31.389 -7.268 1.00 2.78 H new ATOM 68 N MET A 6 0.182 -31.468 -6.389 1.00 2.86 N ATOM 69 CA MET A 6 0.904 -30.894 -7.572 1.00 2.90 C ATOM 70 C MET A 6 0.555 -31.651 -8.867 1.00 3.10 C ATOM 71 O MET A 6 1.108 -31.369 -9.911 1.00 3.27 O ATOM 72 CB MET A 6 2.410 -31.042 -7.267 1.00 3.02 C ATOM 73 CG MET A 6 2.773 -30.350 -5.947 1.00 3.78 C ATOM 74 SD MET A 6 4.221 -31.163 -5.216 1.00 4.17 S ATOM 75 CE MET A 6 5.496 -30.227 -6.098 1.00 4.74 C ATOM 0 H MET A 6 0.127 -32.486 -6.368 1.00 2.86 H new ATOM 0 HA MET A 6 0.617 -29.854 -7.728 1.00 2.90 H new ATOM 0 HB2 MET A 6 2.672 -32.099 -7.212 1.00 3.02 H new ATOM 0 HB3 MET A 6 2.994 -30.611 -8.080 1.00 3.02 H new ATOM 0 HG2 MET A 6 2.985 -29.295 -6.123 1.00 3.78 H new ATOM 0 HG3 MET A 6 1.930 -30.395 -5.257 1.00 3.78 H new ATOM 0 HE1 MET A 6 6.482 -30.575 -5.790 1.00 4.74 H new ATOM 0 HE2 MET A 6 5.378 -30.374 -7.172 1.00 4.74 H new ATOM 0 HE3 MET A 6 5.396 -29.167 -5.864 1.00 4.74 H new ATOM 85 N ASP A 7 -0.356 -32.595 -8.822 1.00 3.18 N ATOM 86 CA ASP A 7 -0.722 -33.348 -10.070 1.00 3.42 C ATOM 87 C ASP A 7 -1.380 -32.414 -11.100 1.00 3.36 C ATOM 88 O ASP A 7 -1.330 -32.663 -12.291 1.00 3.57 O ATOM 89 CB ASP A 7 -1.694 -34.456 -9.618 1.00 3.57 C ATOM 90 CG ASP A 7 -2.755 -33.900 -8.665 1.00 3.38 C ATOM 91 OD1 ASP A 7 -3.769 -33.419 -9.143 1.00 3.47 O ATOM 92 OD2 ASP A 7 -2.532 -33.966 -7.470 1.00 3.29 O ATOM 0 H ASP A 7 -0.860 -32.877 -7.982 1.00 3.18 H new ATOM 0 HA ASP A 7 0.157 -33.768 -10.560 1.00 3.42 H new ATOM 0 HB2 ASP A 7 -2.178 -34.898 -10.489 1.00 3.57 H new ATOM 0 HB3 ASP A 7 -1.138 -35.253 -9.124 1.00 3.57 H new ATOM 97 N HIS A 8 -1.987 -31.341 -10.654 1.00 3.17 N ATOM 98 CA HIS A 8 -2.642 -30.394 -11.622 1.00 3.26 C ATOM 99 C HIS A 8 -2.567 -28.919 -11.160 1.00 3.00 C ATOM 100 O HIS A 8 -2.907 -28.020 -11.905 1.00 3.15 O ATOM 101 CB HIS A 8 -4.100 -30.863 -11.710 1.00 3.43 C ATOM 102 CG HIS A 8 -4.865 -30.421 -10.493 1.00 3.19 C ATOM 103 ND1 HIS A 8 -4.969 -31.210 -9.364 1.00 3.12 N ATOM 104 CD2 HIS A 8 -5.561 -29.273 -10.218 1.00 3.15 C ATOM 105 CE1 HIS A 8 -5.703 -30.532 -8.463 1.00 3.02 C ATOM 106 NE2 HIS A 8 -6.092 -29.344 -8.935 1.00 3.06 N ATOM 0 H HIS A 8 -2.059 -31.078 -9.671 1.00 3.17 H new ATOM 0 HA HIS A 8 -2.134 -30.414 -12.586 1.00 3.26 H new ATOM 0 HB2 HIS A 8 -4.566 -30.457 -12.608 1.00 3.43 H new ATOM 0 HB3 HIS A 8 -4.135 -31.949 -11.795 1.00 3.43 H new ATOM 0 HD1 HIS A 8 -4.563 -32.137 -9.237 1.00 3.12 H new ATOM 0 HD2 HIS A 8 -5.679 -28.440 -10.895 1.00 3.15 H new ATOM 0 HE1 HIS A 8 -5.948 -30.903 -7.479 1.00 3.02 H new ATOM 114 N SER A 9 -2.135 -28.661 -9.952 1.00 2.72 N ATOM 115 CA SER A 9 -2.048 -27.259 -9.464 1.00 2.57 C ATOM 116 C SER A 9 -0.840 -27.110 -8.542 1.00 2.16 C ATOM 117 O SER A 9 -0.723 -27.819 -7.564 1.00 2.15 O ATOM 118 CB SER A 9 -3.347 -27.017 -8.697 1.00 2.82 C ATOM 119 OG SER A 9 -3.990 -25.869 -9.228 1.00 3.44 O ATOM 0 H SER A 9 -1.838 -29.369 -9.281 1.00 2.72 H new ATOM 0 HA SER A 9 -1.925 -26.542 -10.276 1.00 2.57 H new ATOM 0 HB2 SER A 9 -4.000 -27.886 -8.779 1.00 2.82 H new ATOM 0 HB3 SER A 9 -3.137 -26.875 -7.637 1.00 2.82 H new ATOM 0 HG SER A 9 -4.826 -25.708 -8.742 1.00 3.44 H new ATOM 125 N PRO A 10 0.029 -26.198 -8.885 1.00 2.05 N ATOM 126 CA PRO A 10 1.242 -25.975 -8.067 1.00 1.90 C ATOM 127 C PRO A 10 0.880 -25.250 -6.766 1.00 1.67 C ATOM 128 O PRO A 10 1.019 -24.044 -6.662 1.00 1.60 O ATOM 129 CB PRO A 10 2.120 -25.103 -8.964 1.00 2.17 C ATOM 130 CG PRO A 10 1.170 -24.407 -9.890 1.00 2.37 C ATOM 131 CD PRO A 10 -0.037 -25.296 -10.044 1.00 2.37 C ATOM 0 HA PRO A 10 1.739 -26.897 -7.767 1.00 1.90 H new ATOM 0 HB2 PRO A 10 2.693 -24.386 -8.376 1.00 2.17 H new ATOM 0 HB3 PRO A 10 2.838 -25.707 -9.518 1.00 2.17 H new ATOM 0 HG2 PRO A 10 0.883 -23.436 -9.487 1.00 2.37 H new ATOM 0 HG3 PRO A 10 1.639 -24.225 -10.857 1.00 2.37 H new ATOM 0 HD2 PRO A 10 -0.960 -24.717 -10.046 1.00 2.37 H new ATOM 0 HD3 PRO A 10 -0.006 -25.850 -10.982 1.00 2.37 H new ATOM 139 N THR A 11 0.415 -25.968 -5.767 1.00 1.67 N ATOM 140 CA THR A 11 0.052 -25.286 -4.478 1.00 1.66 C ATOM 141 C THR A 11 1.245 -24.472 -3.969 1.00 1.64 C ATOM 142 O THR A 11 1.085 -23.369 -3.496 1.00 1.60 O ATOM 143 CB THR A 11 -0.338 -26.374 -3.468 1.00 1.88 C ATOM 144 OG1 THR A 11 -0.577 -25.752 -2.212 1.00 2.06 O ATOM 145 CG2 THR A 11 0.783 -27.400 -3.313 1.00 2.07 C ATOM 0 H THR A 11 0.273 -26.978 -5.785 1.00 1.67 H new ATOM 0 HA THR A 11 -0.782 -24.599 -4.622 1.00 1.66 H new ATOM 0 HB THR A 11 -1.230 -26.890 -3.823 1.00 1.88 H new ATOM 0 HG1 THR A 11 -1.239 -26.272 -1.710 1.00 2.06 H new ATOM 0 HG21 THR A 11 0.483 -28.161 -2.592 1.00 2.07 H new ATOM 0 HG22 THR A 11 0.981 -27.871 -4.276 1.00 2.07 H new ATOM 0 HG23 THR A 11 1.686 -26.902 -2.960 1.00 2.07 H new ATOM 153 N THR A 12 2.444 -24.986 -4.101 1.00 1.76 N ATOM 154 CA THR A 12 3.650 -24.215 -3.662 1.00 1.89 C ATOM 155 C THR A 12 3.734 -22.912 -4.454 1.00 1.73 C ATOM 156 O THR A 12 4.028 -21.862 -3.916 1.00 1.72 O ATOM 157 CB THR A 12 4.842 -25.118 -3.979 1.00 2.20 C ATOM 158 OG1 THR A 12 4.591 -25.817 -5.191 1.00 2.26 O ATOM 159 CG2 THR A 12 5.032 -26.119 -2.841 1.00 2.50 C ATOM 0 H THR A 12 2.640 -25.907 -4.494 1.00 1.76 H new ATOM 0 HA THR A 12 3.620 -23.953 -2.604 1.00 1.89 H new ATOM 0 HB THR A 12 5.744 -24.515 -4.087 1.00 2.20 H new ATOM 0 HG1 THR A 12 5.354 -26.396 -5.399 1.00 2.26 H new ATOM 0 HG21 THR A 12 5.881 -26.765 -3.063 1.00 2.50 H new ATOM 0 HG22 THR A 12 5.218 -25.582 -1.911 1.00 2.50 H new ATOM 0 HG23 THR A 12 4.132 -26.725 -2.736 1.00 2.50 H new ATOM 167 N GLY A 13 3.448 -22.975 -5.727 1.00 1.68 N ATOM 168 CA GLY A 13 3.472 -21.747 -6.579 1.00 1.68 C ATOM 169 C GLY A 13 2.295 -20.853 -6.192 1.00 1.50 C ATOM 170 O GLY A 13 2.464 -19.679 -5.917 1.00 1.49 O ATOM 0 H GLY A 13 3.196 -23.832 -6.219 1.00 1.68 H new ATOM 0 HA2 GLY A 13 4.412 -21.212 -6.443 1.00 1.68 H new ATOM 0 HA3 GLY A 13 3.409 -22.018 -7.633 1.00 1.68 H new ATOM 174 N VAL A 14 1.105 -21.408 -6.145 1.00 1.43 N ATOM 175 CA VAL A 14 -0.089 -20.597 -5.745 1.00 1.41 C ATOM 176 C VAL A 14 0.163 -19.980 -4.363 1.00 1.33 C ATOM 177 O VAL A 14 -0.150 -18.833 -4.119 1.00 1.36 O ATOM 178 CB VAL A 14 -1.256 -21.593 -5.702 1.00 1.50 C ATOM 179 CG1 VAL A 14 -2.457 -20.968 -4.985 1.00 1.66 C ATOM 180 CG2 VAL A 14 -1.663 -21.963 -7.131 1.00 1.68 C ATOM 0 H VAL A 14 0.911 -22.385 -6.366 1.00 1.43 H new ATOM 0 HA VAL A 14 -0.298 -19.778 -6.433 1.00 1.41 H new ATOM 0 HB VAL A 14 -0.939 -22.485 -5.162 1.00 1.50 H new ATOM 0 HG11 VAL A 14 -3.279 -21.684 -4.960 1.00 1.66 H new ATOM 0 HG12 VAL A 14 -2.175 -20.704 -3.966 1.00 1.66 H new ATOM 0 HG13 VAL A 14 -2.773 -20.071 -5.518 1.00 1.66 H new ATOM 0 HG21 VAL A 14 -2.492 -22.670 -7.102 1.00 1.68 H new ATOM 0 HG22 VAL A 14 -1.971 -21.065 -7.666 1.00 1.68 H new ATOM 0 HG23 VAL A 14 -0.816 -22.418 -7.644 1.00 1.68 H new ATOM 190 N VAL A 15 0.759 -20.726 -3.468 1.00 1.35 N ATOM 191 CA VAL A 15 1.064 -20.175 -2.112 1.00 1.43 C ATOM 192 C VAL A 15 2.187 -19.141 -2.236 1.00 1.42 C ATOM 193 O VAL A 15 2.140 -18.080 -1.644 1.00 1.43 O ATOM 194 CB VAL A 15 1.501 -21.382 -1.265 1.00 1.62 C ATOM 195 CG1 VAL A 15 2.183 -20.904 0.021 1.00 1.84 C ATOM 196 CG2 VAL A 15 0.273 -22.219 -0.891 1.00 1.74 C ATOM 0 H VAL A 15 1.048 -21.693 -3.617 1.00 1.35 H new ATOM 0 HA VAL A 15 0.211 -19.674 -1.654 1.00 1.43 H new ATOM 0 HB VAL A 15 2.200 -21.983 -1.846 1.00 1.62 H new ATOM 0 HG11 VAL A 15 2.488 -21.767 0.613 1.00 1.84 H new ATOM 0 HG12 VAL A 15 3.060 -20.309 -0.232 1.00 1.84 H new ATOM 0 HG13 VAL A 15 1.486 -20.296 0.598 1.00 1.84 H new ATOM 0 HG21 VAL A 15 0.584 -23.074 -0.291 1.00 1.74 H new ATOM 0 HG22 VAL A 15 -0.423 -21.607 -0.317 1.00 1.74 H new ATOM 0 HG23 VAL A 15 -0.217 -22.572 -1.798 1.00 1.74 H new ATOM 206 N THR A 16 3.186 -19.440 -3.021 1.00 1.48 N ATOM 207 CA THR A 16 4.314 -18.475 -3.211 1.00 1.59 C ATOM 208 C THR A 16 3.780 -17.146 -3.748 1.00 1.51 C ATOM 209 O THR A 16 4.128 -16.086 -3.261 1.00 1.57 O ATOM 210 CB THR A 16 5.263 -19.132 -4.223 1.00 1.76 C ATOM 211 OG1 THR A 16 5.819 -20.308 -3.655 1.00 1.91 O ATOM 212 CG2 THR A 16 6.400 -18.170 -4.574 1.00 1.97 C ATOM 0 H THR A 16 3.273 -20.313 -3.542 1.00 1.48 H new ATOM 0 HA THR A 16 4.828 -18.259 -2.274 1.00 1.59 H new ATOM 0 HB THR A 16 4.702 -19.380 -5.124 1.00 1.76 H new ATOM 0 HG1 THR A 16 5.324 -21.091 -3.974 1.00 1.91 H new ATOM 0 HG21 THR A 16 7.069 -18.644 -5.293 1.00 1.97 H new ATOM 0 HG22 THR A 16 5.986 -17.260 -5.009 1.00 1.97 H new ATOM 0 HG23 THR A 16 6.956 -17.919 -3.671 1.00 1.97 H new ATOM 220 N VAL A 17 2.936 -17.190 -4.745 1.00 1.48 N ATOM 221 CA VAL A 17 2.389 -15.922 -5.307 1.00 1.55 C ATOM 222 C VAL A 17 1.418 -15.251 -4.322 1.00 1.47 C ATOM 223 O VAL A 17 1.466 -14.051 -4.163 1.00 1.55 O ATOM 224 CB VAL A 17 1.705 -16.279 -6.634 1.00 1.68 C ATOM 225 CG1 VAL A 17 2.739 -16.842 -7.612 1.00 1.84 C ATOM 226 CG2 VAL A 17 0.602 -17.316 -6.425 1.00 1.61 C ATOM 0 H VAL A 17 2.604 -18.045 -5.192 1.00 1.48 H new ATOM 0 HA VAL A 17 3.185 -15.197 -5.479 1.00 1.55 H new ATOM 0 HB VAL A 17 1.259 -15.370 -7.038 1.00 1.68 H new ATOM 0 HG11 VAL A 17 2.250 -17.094 -8.553 1.00 1.84 H new ATOM 0 HG12 VAL A 17 3.512 -16.096 -7.794 1.00 1.84 H new ATOM 0 HG13 VAL A 17 3.192 -17.738 -7.187 1.00 1.84 H new ATOM 0 HG21 VAL A 17 0.136 -17.549 -7.382 1.00 1.61 H new ATOM 0 HG22 VAL A 17 1.031 -18.223 -6.000 1.00 1.61 H new ATOM 0 HG23 VAL A 17 -0.149 -16.916 -5.743 1.00 1.61 H new ATOM 236 N ILE A 18 0.551 -15.978 -3.637 1.00 1.40 N ATOM 237 CA ILE A 18 -0.359 -15.282 -2.670 1.00 1.47 C ATOM 238 C ILE A 18 0.456 -14.733 -1.501 1.00 1.46 C ATOM 239 O ILE A 18 0.161 -13.675 -0.991 1.00 1.54 O ATOM 240 CB ILE A 18 -1.409 -16.304 -2.200 1.00 1.55 C ATOM 241 CG1 ILE A 18 -0.748 -17.513 -1.534 1.00 1.49 C ATOM 242 CG2 ILE A 18 -2.246 -16.773 -3.389 1.00 1.65 C ATOM 243 CD1 ILE A 18 -1.653 -18.034 -0.416 1.00 1.84 C ATOM 0 H ILE A 18 0.440 -16.990 -3.705 1.00 1.40 H new ATOM 0 HA ILE A 18 -0.863 -14.437 -3.138 1.00 1.47 H new ATOM 0 HB ILE A 18 -2.050 -15.814 -1.467 1.00 1.55 H new ATOM 0 HG12 ILE A 18 -0.573 -18.297 -2.270 1.00 1.49 H new ATOM 0 HG13 ILE A 18 0.224 -17.233 -1.129 1.00 1.49 H new ATOM 0 HG21 ILE A 18 -2.987 -17.496 -3.049 1.00 1.65 H new ATOM 0 HG22 ILE A 18 -2.752 -15.918 -3.838 1.00 1.65 H new ATOM 0 HG23 ILE A 18 -1.597 -17.240 -4.130 1.00 1.65 H new ATOM 0 HD11 ILE A 18 -1.184 -18.895 0.060 1.00 1.84 H new ATOM 0 HD12 ILE A 18 -1.806 -17.249 0.324 1.00 1.84 H new ATOM 0 HD13 ILE A 18 -2.615 -18.330 -0.835 1.00 1.84 H new ATOM 255 N VAL A 19 1.501 -15.415 -1.105 1.00 1.44 N ATOM 256 CA VAL A 19 2.354 -14.887 0.006 1.00 1.56 C ATOM 257 C VAL A 19 3.066 -13.624 -0.489 1.00 1.57 C ATOM 258 O VAL A 19 3.112 -12.618 0.195 1.00 1.64 O ATOM 259 CB VAL A 19 3.351 -16.007 0.344 1.00 1.67 C ATOM 260 CG1 VAL A 19 4.525 -15.441 1.151 1.00 1.88 C ATOM 261 CG2 VAL A 19 2.650 -17.082 1.180 1.00 1.75 C ATOM 0 H VAL A 19 1.800 -16.307 -1.498 1.00 1.44 H new ATOM 0 HA VAL A 19 1.783 -14.617 0.894 1.00 1.56 H new ATOM 0 HB VAL A 19 3.722 -16.439 -0.585 1.00 1.67 H new ATOM 0 HG11 VAL A 19 5.225 -16.243 1.385 1.00 1.88 H new ATOM 0 HG12 VAL A 19 5.033 -14.675 0.566 1.00 1.88 H new ATOM 0 HG13 VAL A 19 4.152 -15.003 2.077 1.00 1.88 H new ATOM 0 HG21 VAL A 19 3.358 -17.876 1.419 1.00 1.75 H new ATOM 0 HG22 VAL A 19 2.276 -16.639 2.103 1.00 1.75 H new ATOM 0 HG23 VAL A 19 1.817 -17.497 0.614 1.00 1.75 H new ATOM 271 N ILE A 20 3.583 -13.647 -1.692 1.00 1.57 N ATOM 272 CA ILE A 20 4.238 -12.419 -2.233 1.00 1.69 C ATOM 273 C ILE A 20 3.160 -11.359 -2.442 1.00 1.67 C ATOM 274 O ILE A 20 3.352 -10.198 -2.150 1.00 1.75 O ATOM 275 CB ILE A 20 4.876 -12.834 -3.566 1.00 1.79 C ATOM 276 CG1 ILE A 20 6.053 -13.774 -3.301 1.00 1.91 C ATOM 277 CG2 ILE A 20 5.386 -11.595 -4.309 1.00 2.00 C ATOM 278 CD1 ILE A 20 6.514 -14.402 -4.618 1.00 2.03 C ATOM 0 H ILE A 20 3.580 -14.454 -2.316 1.00 1.57 H new ATOM 0 HA ILE A 20 4.995 -12.006 -1.566 1.00 1.69 H new ATOM 0 HB ILE A 20 4.126 -13.341 -4.174 1.00 1.79 H new ATOM 0 HG12 ILE A 20 6.874 -13.224 -2.841 1.00 1.91 H new ATOM 0 HG13 ILE A 20 5.758 -14.553 -2.598 1.00 1.91 H new ATOM 0 HG21 ILE A 20 5.837 -11.898 -5.254 1.00 2.00 H new ATOM 0 HG22 ILE A 20 4.553 -10.920 -4.505 1.00 2.00 H new ATOM 0 HG23 ILE A 20 6.131 -11.085 -3.698 1.00 2.00 H new ATOM 0 HD11 ILE A 20 7.353 -15.072 -4.428 1.00 2.03 H new ATOM 0 HD12 ILE A 20 5.692 -14.966 -5.059 1.00 2.03 H new ATOM 0 HD13 ILE A 20 6.826 -13.616 -5.306 1.00 2.03 H new ATOM 290 N LEU A 21 2.020 -11.768 -2.924 1.00 1.63 N ATOM 291 CA LEU A 21 0.897 -10.807 -3.134 1.00 1.72 C ATOM 292 C LEU A 21 0.496 -10.176 -1.796 1.00 1.72 C ATOM 293 O LEU A 21 0.455 -8.964 -1.671 1.00 1.81 O ATOM 294 CB LEU A 21 -0.252 -11.641 -3.714 1.00 1.75 C ATOM 295 CG LEU A 21 -0.145 -11.673 -5.240 1.00 1.88 C ATOM 296 CD1 LEU A 21 -1.000 -12.816 -5.788 1.00 1.92 C ATOM 297 CD2 LEU A 21 -0.647 -10.345 -5.814 1.00 2.16 C ATOM 0 H LEU A 21 1.815 -12.733 -3.184 1.00 1.63 H new ATOM 0 HA LEU A 21 1.169 -9.990 -3.803 1.00 1.72 H new ATOM 0 HB2 LEU A 21 -0.216 -12.655 -3.316 1.00 1.75 H new ATOM 0 HB3 LEU A 21 -1.210 -11.215 -3.416 1.00 1.75 H new ATOM 0 HG LEU A 21 0.895 -11.826 -5.527 1.00 1.88 H new ATOM 0 HD11 LEU A 21 -0.924 -12.839 -6.875 1.00 1.92 H new ATOM 0 HD12 LEU A 21 -0.647 -13.763 -5.380 1.00 1.92 H new ATOM 0 HD13 LEU A 21 -2.040 -12.663 -5.500 1.00 1.92 H new ATOM 0 HD21 LEU A 21 -0.571 -10.367 -6.901 1.00 2.16 H new ATOM 0 HD22 LEU A 21 -1.687 -10.194 -5.526 1.00 2.16 H new ATOM 0 HD23 LEU A 21 -0.040 -9.528 -5.424 1.00 2.16 H new ATOM 309 N ILE A 22 0.217 -10.973 -0.781 1.00 1.67 N ATOM 310 CA ILE A 22 -0.156 -10.367 0.535 1.00 1.76 C ATOM 311 C ILE A 22 0.988 -9.491 1.041 1.00 1.77 C ATOM 312 O ILE A 22 0.779 -8.398 1.529 1.00 1.85 O ATOM 313 CB ILE A 22 -0.434 -11.525 1.501 1.00 1.82 C ATOM 314 CG1 ILE A 22 0.782 -12.447 1.641 1.00 1.77 C ATOM 315 CG2 ILE A 22 -1.629 -12.335 1.002 1.00 1.88 C ATOM 316 CD1 ILE A 22 0.506 -13.506 2.713 1.00 1.88 C ATOM 0 H ILE A 22 0.232 -11.992 -0.810 1.00 1.67 H new ATOM 0 HA ILE A 22 -1.039 -9.733 0.447 1.00 1.76 H new ATOM 0 HB ILE A 22 -0.652 -11.099 2.480 1.00 1.82 H new ATOM 0 HG12 ILE A 22 0.997 -12.929 0.687 1.00 1.77 H new ATOM 0 HG13 ILE A 22 1.663 -11.864 1.910 1.00 1.77 H new ATOM 0 HG21 ILE A 22 -1.824 -13.157 1.690 1.00 1.88 H new ATOM 0 HG22 ILE A 22 -2.507 -11.692 0.947 1.00 1.88 H new ATOM 0 HG23 ILE A 22 -1.410 -12.735 0.012 1.00 1.88 H new ATOM 0 HD11 ILE A 22 1.373 -14.160 2.810 1.00 1.88 H new ATOM 0 HD12 ILE A 22 0.313 -13.016 3.667 1.00 1.88 H new ATOM 0 HD13 ILE A 22 -0.364 -14.097 2.426 1.00 1.88 H new ATOM 328 N ALA A 23 2.197 -9.957 0.895 1.00 1.74 N ATOM 329 CA ALA A 23 3.373 -9.145 1.335 1.00 1.83 C ATOM 330 C ALA A 23 3.423 -7.836 0.535 1.00 1.87 C ATOM 331 O ALA A 23 3.591 -6.766 1.093 1.00 1.93 O ATOM 332 CB ALA A 23 4.599 -10.015 1.042 1.00 1.89 C ATOM 0 H ALA A 23 2.425 -10.865 0.490 1.00 1.74 H new ATOM 0 HA ALA A 23 3.324 -8.874 2.390 1.00 1.83 H new ATOM 0 HB1 ALA A 23 5.502 -9.483 1.340 1.00 1.89 H new ATOM 0 HB2 ALA A 23 4.526 -10.947 1.602 1.00 1.89 H new ATOM 0 HB3 ALA A 23 4.643 -10.235 -0.025 1.00 1.89 H new ATOM 338 N ILE A 24 3.247 -7.908 -0.766 1.00 1.87 N ATOM 339 CA ILE A 24 3.254 -6.663 -1.594 1.00 1.98 C ATOM 340 C ILE A 24 2.098 -5.763 -1.141 1.00 1.97 C ATOM 341 O ILE A 24 2.265 -4.573 -0.953 1.00 2.05 O ATOM 342 CB ILE A 24 3.061 -7.136 -3.044 1.00 2.05 C ATOM 343 CG1 ILE A 24 4.367 -7.755 -3.565 1.00 2.13 C ATOM 344 CG2 ILE A 24 2.672 -5.951 -3.935 1.00 2.22 C ATOM 345 CD1 ILE A 24 5.480 -6.699 -3.586 1.00 2.32 C ATOM 0 H ILE A 24 3.100 -8.773 -1.286 1.00 1.87 H new ATOM 0 HA ILE A 24 4.174 -6.087 -1.496 1.00 1.98 H new ATOM 0 HB ILE A 24 2.267 -7.882 -3.069 1.00 2.05 H new ATOM 0 HG12 ILE A 24 4.661 -8.591 -2.930 1.00 2.13 H new ATOM 0 HG13 ILE A 24 4.215 -8.154 -4.568 1.00 2.13 H new ATOM 0 HG21 ILE A 24 2.537 -6.296 -4.960 1.00 2.22 H new ATOM 0 HG22 ILE A 24 1.741 -5.514 -3.574 1.00 2.22 H new ATOM 0 HG23 ILE A 24 3.461 -5.199 -3.905 1.00 2.22 H new ATOM 0 HD11 ILE A 24 6.401 -7.149 -3.957 1.00 2.32 H new ATOM 0 HD12 ILE A 24 5.189 -5.877 -4.239 1.00 2.32 H new ATOM 0 HD13 ILE A 24 5.642 -6.321 -2.577 1.00 2.32 H new ATOM 357 N ALA A 25 0.933 -6.334 -0.937 1.00 1.93 N ATOM 358 CA ALA A 25 -0.228 -5.524 -0.463 1.00 1.99 C ATOM 359 C ALA A 25 0.090 -4.922 0.908 1.00 1.97 C ATOM 360 O ALA A 25 -0.139 -3.750 1.151 1.00 2.03 O ATOM 361 CB ALA A 25 -1.396 -6.510 -0.375 1.00 2.00 C ATOM 0 H ALA A 25 0.740 -7.325 -1.079 1.00 1.93 H new ATOM 0 HA ALA A 25 -0.461 -4.693 -1.129 1.00 1.99 H new ATOM 0 HB1 ALA A 25 -2.289 -5.987 -0.032 1.00 2.00 H new ATOM 0 HB2 ALA A 25 -1.583 -6.941 -1.359 1.00 2.00 H new ATOM 0 HB3 ALA A 25 -1.149 -7.305 0.328 1.00 2.00 H new ATOM 367 N ALA A 26 0.645 -5.710 1.791 1.00 1.93 N ATOM 368 CA ALA A 26 1.014 -5.186 3.141 1.00 1.97 C ATOM 369 C ALA A 26 2.039 -4.060 2.975 1.00 2.00 C ATOM 370 O ALA A 26 1.898 -2.992 3.543 1.00 2.03 O ATOM 371 CB ALA A 26 1.617 -6.379 3.886 1.00 2.00 C ATOM 0 H ALA A 26 0.859 -6.695 1.636 1.00 1.93 H new ATOM 0 HA ALA A 26 0.165 -4.775 3.687 1.00 1.97 H new ATOM 0 HB1 ALA A 26 1.913 -6.070 4.889 1.00 2.00 H new ATOM 0 HB2 ALA A 26 0.877 -7.176 3.955 1.00 2.00 H new ATOM 0 HB3 ALA A 26 2.491 -6.741 3.345 1.00 2.00 H new ATOM 377 N LEU A 27 3.051 -4.280 2.167 1.00 2.02 N ATOM 378 CA LEU A 27 4.063 -3.212 1.927 1.00 2.12 C ATOM 379 C LEU A 27 3.357 -1.986 1.333 1.00 2.14 C ATOM 380 O LEU A 27 3.564 -0.869 1.768 1.00 2.20 O ATOM 381 CB LEU A 27 5.055 -3.821 0.926 1.00 2.20 C ATOM 382 CG LEU A 27 5.993 -2.731 0.402 1.00 2.38 C ATOM 383 CD1 LEU A 27 7.428 -3.256 0.378 1.00 2.58 C ATOM 384 CD2 LEU A 27 5.574 -2.334 -1.017 1.00 2.42 C ATOM 0 H LEU A 27 3.216 -5.153 1.666 1.00 2.02 H new ATOM 0 HA LEU A 27 4.572 -2.887 2.834 1.00 2.12 H new ATOM 0 HB2 LEU A 27 5.632 -4.611 1.406 1.00 2.20 H new ATOM 0 HB3 LEU A 27 4.515 -4.279 0.097 1.00 2.20 H new ATOM 0 HG LEU A 27 5.936 -1.861 1.057 1.00 2.38 H new ATOM 0 HD11 LEU A 27 8.094 -2.478 0.005 1.00 2.58 H new ATOM 0 HD12 LEU A 27 7.729 -3.538 1.387 1.00 2.58 H new ATOM 0 HD13 LEU A 27 7.486 -4.127 -0.275 1.00 2.58 H new ATOM 0 HD21 LEU A 27 6.242 -1.558 -1.390 1.00 2.42 H new ATOM 0 HD22 LEU A 27 5.630 -3.205 -1.670 1.00 2.42 H new ATOM 0 HD23 LEU A 27 4.552 -1.956 -1.002 1.00 2.42 H new ATOM 396 N GLY A 28 2.500 -2.197 0.357 1.00 2.13 N ATOM 397 CA GLY A 28 1.751 -1.056 -0.254 1.00 2.21 C ATOM 398 C GLY A 28 0.955 -0.341 0.841 1.00 2.16 C ATOM 399 O GLY A 28 0.962 0.874 0.931 1.00 2.21 O ATOM 0 H GLY A 28 2.289 -3.113 -0.040 1.00 2.13 H new ATOM 0 HA2 GLY A 28 2.444 -0.362 -0.730 1.00 2.21 H new ATOM 0 HA3 GLY A 28 1.079 -1.420 -1.032 1.00 2.21 H new ATOM 403 N ALA A 29 0.282 -1.087 1.687 1.00 2.10 N ATOM 404 CA ALA A 29 -0.499 -0.449 2.794 1.00 2.09 C ATOM 405 C ALA A 29 0.448 0.289 3.744 1.00 2.08 C ATOM 406 O ALA A 29 0.196 1.415 4.139 1.00 2.11 O ATOM 407 CB ALA A 29 -1.203 -1.606 3.510 1.00 2.06 C ATOM 0 H ALA A 29 0.240 -2.106 1.658 1.00 2.10 H new ATOM 0 HA ALA A 29 -1.215 0.287 2.427 1.00 2.09 H new ATOM 0 HB1 ALA A 29 -1.797 -1.215 4.336 1.00 2.06 H new ATOM 0 HB2 ALA A 29 -1.856 -2.125 2.808 1.00 2.06 H new ATOM 0 HB3 ALA A 29 -0.458 -2.302 3.896 1.00 2.06 H new ATOM 413 N LEU A 30 1.547 -0.332 4.085 1.00 2.08 N ATOM 414 CA LEU A 30 2.544 0.328 4.984 1.00 2.13 C ATOM 415 C LEU A 30 3.033 1.624 4.325 1.00 2.19 C ATOM 416 O LEU A 30 3.165 2.651 4.968 1.00 2.23 O ATOM 417 CB LEU A 30 3.690 -0.686 5.123 1.00 2.17 C ATOM 418 CG LEU A 30 3.393 -1.644 6.279 1.00 2.22 C ATOM 419 CD1 LEU A 30 4.200 -2.931 6.097 1.00 2.23 C ATOM 420 CD2 LEU A 30 3.788 -0.981 7.600 1.00 2.43 C ATOM 0 H LEU A 30 1.799 -1.272 3.779 1.00 2.08 H new ATOM 0 HA LEU A 30 2.132 0.593 5.957 1.00 2.13 H new ATOM 0 HB2 LEU A 30 3.808 -1.246 4.195 1.00 2.17 H new ATOM 0 HB3 LEU A 30 4.630 -0.165 5.302 1.00 2.17 H new ATOM 0 HG LEU A 30 2.329 -1.881 6.291 1.00 2.22 H new ATOM 0 HD11 LEU A 30 3.988 -3.613 6.921 1.00 2.23 H new ATOM 0 HD12 LEU A 30 3.924 -3.404 5.154 1.00 2.23 H new ATOM 0 HD13 LEU A 30 5.264 -2.695 6.086 1.00 2.23 H new ATOM 0 HD21 LEU A 30 3.578 -1.661 8.426 1.00 2.43 H new ATOM 0 HD22 LEU A 30 4.852 -0.746 7.585 1.00 2.43 H new ATOM 0 HD23 LEU A 30 3.216 -0.063 7.732 1.00 2.43 H new ATOM 432 N ILE A 31 3.270 1.584 3.036 1.00 2.23 N ATOM 433 CA ILE A 31 3.722 2.811 2.310 1.00 2.34 C ATOM 434 C ILE A 31 2.577 3.832 2.274 1.00 2.33 C ATOM 435 O ILE A 31 2.760 4.993 2.592 1.00 2.39 O ATOM 436 CB ILE A 31 4.081 2.328 0.895 1.00 2.41 C ATOM 437 CG1 ILE A 31 5.348 1.460 0.949 1.00 2.47 C ATOM 438 CG2 ILE A 31 4.323 3.530 -0.028 1.00 2.59 C ATOM 439 CD1 ILE A 31 6.558 2.314 1.345 1.00 2.64 C ATOM 0 H ILE A 31 3.169 0.752 2.455 1.00 2.23 H new ATOM 0 HA ILE A 31 4.571 3.300 2.788 1.00 2.34 H new ATOM 0 HB ILE A 31 3.252 1.738 0.503 1.00 2.41 H new ATOM 0 HG12 ILE A 31 5.213 0.652 1.668 1.00 2.47 H new ATOM 0 HG13 ILE A 31 5.522 0.997 -0.022 1.00 2.47 H new ATOM 0 HG21 ILE A 31 4.576 3.176 -1.027 1.00 2.59 H new ATOM 0 HG22 ILE A 31 3.420 4.139 -0.077 1.00 2.59 H new ATOM 0 HG23 ILE A 31 5.144 4.130 0.364 1.00 2.59 H new ATOM 0 HD11 ILE A 31 7.450 1.688 1.380 1.00 2.64 H new ATOM 0 HD12 ILE A 31 6.700 3.107 0.610 1.00 2.64 H new ATOM 0 HD13 ILE A 31 6.386 2.755 2.327 1.00 2.64 H new ATOM 451 N LEU A 32 1.392 3.401 1.905 1.00 2.27 N ATOM 452 CA LEU A 32 0.223 4.335 1.861 1.00 2.28 C ATOM 453 C LEU A 32 -0.005 4.959 3.246 1.00 2.23 C ATOM 454 O LEU A 32 -0.154 6.159 3.371 1.00 2.28 O ATOM 455 CB LEU A 32 -0.972 3.463 1.455 1.00 2.26 C ATOM 456 CG LEU A 32 -2.141 4.361 1.038 1.00 2.33 C ATOM 457 CD1 LEU A 32 -2.437 4.159 -0.447 1.00 2.55 C ATOM 458 CD2 LEU A 32 -3.382 3.999 1.859 1.00 2.58 C ATOM 0 H LEU A 32 1.185 2.440 1.632 1.00 2.27 H new ATOM 0 HA LEU A 32 0.376 5.158 1.163 1.00 2.28 H new ATOM 0 HB2 LEU A 32 -0.693 2.805 0.632 1.00 2.26 H new ATOM 0 HB3 LEU A 32 -1.269 2.824 2.287 1.00 2.26 H new ATOM 0 HG LEU A 32 -1.878 5.404 1.217 1.00 2.33 H new ATOM 0 HD11 LEU A 32 -3.269 4.798 -0.742 1.00 2.55 H new ATOM 0 HD12 LEU A 32 -1.555 4.418 -1.032 1.00 2.55 H new ATOM 0 HD13 LEU A 32 -2.699 3.116 -0.627 1.00 2.55 H new ATOM 0 HD21 LEU A 32 -4.214 4.638 1.562 1.00 2.58 H new ATOM 0 HD22 LEU A 32 -3.644 2.956 1.681 1.00 2.58 H new ATOM 0 HD23 LEU A 32 -3.173 4.145 2.919 1.00 2.58 H new ATOM 470 N GLY A 33 -0.021 4.151 4.283 1.00 2.16 N ATOM 471 CA GLY A 33 -0.227 4.691 5.663 1.00 2.13 C ATOM 472 C GLY A 33 0.902 5.667 6.013 1.00 2.19 C ATOM 473 O GLY A 33 0.660 6.759 6.494 1.00 2.23 O ATOM 0 H GLY A 33 0.100 3.140 4.230 1.00 2.16 H new ATOM 0 HA2 GLY A 33 -1.190 5.198 5.725 1.00 2.13 H new ATOM 0 HA3 GLY A 33 -0.250 3.873 6.384 1.00 2.13 H new ATOM 477 N CYS A 34 2.134 5.280 5.766 1.00 2.23 N ATOM 478 CA CYS A 34 3.288 6.185 6.069 1.00 2.34 C ATOM 479 C CYS A 34 3.183 7.469 5.231 1.00 2.43 C ATOM 480 O CYS A 34 3.388 8.562 5.726 1.00 2.53 O ATOM 481 CB CYS A 34 4.537 5.381 5.688 1.00 2.40 C ATOM 482 SG CYS A 34 6.012 6.211 6.335 1.00 2.69 S ATOM 0 H CYS A 34 2.388 4.376 5.368 1.00 2.23 H new ATOM 0 HA CYS A 34 3.314 6.493 7.114 1.00 2.34 H new ATOM 0 HB2 CYS A 34 4.469 4.371 6.091 1.00 2.40 H new ATOM 0 HB3 CYS A 34 4.605 5.287 4.604 1.00 2.40 H new ATOM 0 HG CYS A 34 7.070 5.528 6.014 1.00 2.69 H new ATOM 488 N TRP A 35 2.851 7.342 3.968 1.00 2.43 N ATOM 489 CA TRP A 35 2.711 8.549 3.091 1.00 2.55 C ATOM 490 C TRP A 35 1.513 9.398 3.565 1.00 2.51 C ATOM 491 O TRP A 35 1.612 10.604 3.721 1.00 2.62 O ATOM 492 CB TRP A 35 2.501 7.964 1.677 1.00 2.60 C ATOM 493 CG TRP A 35 1.489 8.753 0.902 1.00 2.65 C ATOM 494 CD1 TRP A 35 0.210 8.369 0.682 1.00 2.65 C ATOM 495 CD2 TRP A 35 1.650 10.038 0.237 1.00 2.75 C ATOM 496 NE1 TRP A 35 -0.424 9.338 -0.076 1.00 2.72 N ATOM 497 CE2 TRP A 35 0.424 10.384 -0.377 1.00 2.79 C ATOM 498 CE3 TRP A 35 2.734 10.925 0.100 1.00 2.86 C ATOM 499 CZ2 TRP A 35 0.274 11.573 -1.089 1.00 2.91 C ATOM 500 CZ3 TRP A 35 2.586 12.122 -0.617 1.00 3.01 C ATOM 501 CH2 TRP A 35 1.361 12.443 -1.216 1.00 3.02 C ATOM 0 H TRP A 35 2.670 6.451 3.505 1.00 2.43 H new ATOM 0 HA TRP A 35 3.573 9.216 3.115 1.00 2.55 H new ATOM 0 HB2 TRP A 35 3.449 7.959 1.140 1.00 2.60 H new ATOM 0 HB3 TRP A 35 2.173 6.927 1.756 1.00 2.60 H new ATOM 0 HD1 TRP A 35 -0.242 7.456 1.040 1.00 2.65 H new ATOM 0 HE1 TRP A 35 -1.398 9.285 -0.375 1.00 2.72 H new ATOM 0 HE3 TRP A 35 3.686 10.683 0.550 1.00 2.86 H new ATOM 0 HZ2 TRP A 35 -0.676 11.821 -1.540 1.00 2.91 H new ATOM 0 HZ3 TRP A 35 3.422 12.800 -0.708 1.00 3.01 H new ATOM 0 HH2 TRP A 35 1.256 13.361 -1.775 1.00 3.02 H new ATOM 512 N CYS A 36 0.394 8.769 3.810 1.00 2.39 N ATOM 513 CA CYS A 36 -0.812 9.506 4.293 1.00 2.36 C ATOM 514 C CYS A 36 -1.637 8.576 5.191 1.00 2.30 C ATOM 515 O CYS A 36 -2.250 7.633 4.721 1.00 2.37 O ATOM 516 CB CYS A 36 -1.589 9.882 3.027 1.00 2.47 C ATOM 517 SG CYS A 36 -2.591 11.355 3.347 1.00 2.55 S ATOM 0 H CYS A 36 0.262 7.764 3.695 1.00 2.39 H new ATOM 0 HA CYS A 36 -0.566 10.392 4.878 1.00 2.36 H new ATOM 0 HB2 CYS A 36 -0.897 10.071 2.206 1.00 2.47 H new ATOM 0 HB3 CYS A 36 -2.228 9.054 2.721 1.00 2.47 H new ATOM 0 HG CYS A 36 -3.248 11.675 2.272 1.00 2.55 H new ATOM 523 N TYR A 37 -1.638 8.819 6.481 1.00 2.22 N ATOM 524 CA TYR A 37 -2.402 7.931 7.417 1.00 2.19 C ATOM 525 C TYR A 37 -3.815 7.671 6.892 1.00 2.27 C ATOM 526 O TYR A 37 -4.575 8.590 6.653 1.00 2.28 O ATOM 527 CB TYR A 37 -2.438 8.666 8.758 1.00 2.11 C ATOM 528 CG TYR A 37 -1.907 7.736 9.817 1.00 2.27 C ATOM 529 CD1 TYR A 37 -0.554 7.390 9.819 1.00 2.41 C ATOM 530 CD2 TYR A 37 -2.766 7.200 10.780 1.00 2.47 C ATOM 531 CE1 TYR A 37 -0.057 6.512 10.785 1.00 2.67 C ATOM 532 CE2 TYR A 37 -2.267 6.317 11.746 1.00 2.69 C ATOM 533 CZ TYR A 37 -0.912 5.975 11.747 1.00 2.75 C ATOM 534 OH TYR A 37 -0.417 5.107 12.694 1.00 3.06 O ATOM 0 H TYR A 37 -1.144 9.592 6.926 1.00 2.22 H new ATOM 0 HA TYR A 37 -1.928 6.954 7.515 1.00 2.19 H new ATOM 0 HB2 TYR A 37 -1.835 9.573 8.711 1.00 2.11 H new ATOM 0 HB3 TYR A 37 -3.456 8.972 8.997 1.00 2.11 H new ATOM 0 HD1 TYR A 37 0.109 7.802 9.073 1.00 2.41 H new ATOM 0 HD2 TYR A 37 -3.813 7.466 10.779 1.00 2.47 H new ATOM 0 HE1 TYR A 37 0.990 6.249 10.787 1.00 2.67 H new ATOM 0 HE2 TYR A 37 -2.930 5.900 12.490 1.00 2.69 H new ATOM 0 HH TYR A 37 0.164 5.596 13.314 1.00 3.06 H new ATOM 544 N LEU A 38 -4.142 6.410 6.689 1.00 2.36 N ATOM 545 CA LEU A 38 -5.489 6.016 6.150 1.00 2.47 C ATOM 546 C LEU A 38 -5.935 6.955 5.004 1.00 2.52 C ATOM 547 O LEU A 38 -7.115 7.158 4.776 1.00 2.58 O ATOM 548 CB LEU A 38 -6.445 6.060 7.358 1.00 2.42 C ATOM 549 CG LEU A 38 -6.925 7.489 7.628 1.00 2.36 C ATOM 550 CD1 LEU A 38 -8.452 7.511 7.663 1.00 2.49 C ATOM 551 CD2 LEU A 38 -6.390 7.958 8.981 1.00 2.26 C ATOM 0 H LEU A 38 -3.519 5.624 6.878 1.00 2.36 H new ATOM 0 HA LEU A 38 -5.475 5.021 5.705 1.00 2.47 H new ATOM 0 HB2 LEU A 38 -7.303 5.414 7.171 1.00 2.42 H new ATOM 0 HB3 LEU A 38 -5.939 5.670 8.241 1.00 2.42 H new ATOM 0 HG LEU A 38 -6.563 8.148 6.839 1.00 2.36 H new ATOM 0 HD11 LEU A 38 -8.797 8.527 7.855 1.00 2.49 H new ATOM 0 HD12 LEU A 38 -8.843 7.170 6.704 1.00 2.49 H new ATOM 0 HD13 LEU A 38 -8.807 6.851 8.455 1.00 2.49 H new ATOM 0 HD21 LEU A 38 -6.731 8.975 9.174 1.00 2.26 H new ATOM 0 HD22 LEU A 38 -6.757 7.297 9.766 1.00 2.26 H new ATOM 0 HD23 LEU A 38 -5.300 7.937 8.969 1.00 2.26 H new ATOM 563 N ARG A 39 -4.988 7.520 4.285 1.00 2.53 N ATOM 564 CA ARG A 39 -5.316 8.443 3.148 1.00 2.64 C ATOM 565 C ARG A 39 -6.207 9.608 3.609 1.00 2.61 C ATOM 566 O ARG A 39 -6.982 10.142 2.833 1.00 2.76 O ATOM 567 CB ARG A 39 -6.055 7.566 2.132 1.00 2.79 C ATOM 568 CG ARG A 39 -5.837 8.113 0.719 1.00 3.01 C ATOM 569 CD ARG A 39 -7.188 8.266 0.014 1.00 3.18 C ATOM 570 NE ARG A 39 -7.708 9.592 0.468 1.00 3.43 N ATOM 571 CZ ARG A 39 -8.322 10.372 -0.369 1.00 3.80 C ATOM 572 NH1 ARG A 39 -7.650 10.967 -1.302 1.00 4.22 N ATOM 573 NH2 ARG A 39 -9.602 10.540 -0.284 1.00 3.87 N ATOM 0 H ARG A 39 -3.990 7.378 4.441 1.00 2.53 H new ATOM 0 HA ARG A 39 -4.419 8.900 2.729 1.00 2.64 H new ATOM 0 HB2 ARG A 39 -5.694 6.539 2.194 1.00 2.79 H new ATOM 0 HB3 ARG A 39 -7.120 7.544 2.363 1.00 2.79 H new ATOM 0 HG2 ARG A 39 -5.328 9.076 0.765 1.00 3.01 H new ATOM 0 HG3 ARG A 39 -5.194 7.440 0.153 1.00 3.01 H new ATOM 0 HD2 ARG A 39 -7.074 8.236 -1.070 1.00 3.18 H new ATOM 0 HD3 ARG A 39 -7.869 7.460 0.286 1.00 3.18 H new ATOM 0 HE ARG A 39 -7.580 9.884 1.437 1.00 3.43 H new ATOM 0 HH11 ARG A 39 -6.643 10.822 -1.377 1.00 4.22 H new ATOM 0 HH12 ARG A 39 -8.127 11.581 -1.962 1.00 4.22 H new ATOM 0 HH21 ARG A 39 -10.132 10.059 0.442 1.00 3.87 H new ATOM 0 HH22 ARG A 39 -10.081 11.154 -0.943 1.00 3.87 H new ATOM 587 N LEU A 40 -6.105 10.008 4.861 1.00 2.45 N ATOM 588 CA LEU A 40 -6.952 11.140 5.375 1.00 2.45 C ATOM 589 C LEU A 40 -8.425 10.936 4.979 1.00 2.61 C ATOM 590 O LEU A 40 -9.081 11.841 4.497 1.00 2.78 O ATOM 591 CB LEU A 40 -6.382 12.399 4.710 1.00 2.56 C ATOM 592 CG LEU A 40 -6.083 13.452 5.776 1.00 2.46 C ATOM 593 CD1 LEU A 40 -4.572 13.655 5.873 1.00 2.71 C ATOM 594 CD2 LEU A 40 -6.752 14.773 5.387 1.00 2.98 C ATOM 0 H LEU A 40 -5.472 9.599 5.548 1.00 2.45 H new ATOM 0 HA LEU A 40 -6.928 11.208 6.463 1.00 2.45 H new ATOM 0 HB2 LEU A 40 -5.472 12.153 4.162 1.00 2.56 H new ATOM 0 HB3 LEU A 40 -7.094 12.793 3.985 1.00 2.56 H new ATOM 0 HG LEU A 40 -6.470 13.120 6.739 1.00 2.46 H new ATOM 0 HD11 LEU A 40 -4.354 14.406 6.633 1.00 2.71 H new ATOM 0 HD12 LEU A 40 -4.095 12.714 6.146 1.00 2.71 H new ATOM 0 HD13 LEU A 40 -4.187 13.991 4.910 1.00 2.71 H new ATOM 0 HD21 LEU A 40 -6.540 15.526 6.146 1.00 2.98 H new ATOM 0 HD22 LEU A 40 -6.364 15.108 4.425 1.00 2.98 H new ATOM 0 HD23 LEU A 40 -7.830 14.627 5.312 1.00 2.98 H new ATOM 606 N GLN A 41 -8.940 9.749 5.162 1.00 2.61 N ATOM 607 CA GLN A 41 -10.363 9.480 4.777 1.00 2.81 C ATOM 608 C GLN A 41 -11.291 9.424 6.008 1.00 2.83 C ATOM 609 O GLN A 41 -12.441 9.028 5.907 1.00 3.12 O ATOM 610 CB GLN A 41 -10.310 8.129 4.058 1.00 3.10 C ATOM 611 CG GLN A 41 -11.512 7.995 3.122 1.00 3.33 C ATOM 612 CD GLN A 41 -11.045 8.101 1.675 1.00 3.36 C ATOM 613 OE1 GLN A 41 -10.932 9.181 1.142 1.00 3.42 O ATOM 614 NE2 GLN A 41 -10.759 7.020 1.012 1.00 3.74 N ATOM 0 H GLN A 41 -8.441 8.954 5.560 1.00 2.61 H new ATOM 0 HA GLN A 41 -10.773 10.272 4.150 1.00 2.81 H new ATOM 0 HB2 GLN A 41 -9.384 8.045 3.490 1.00 3.10 H new ATOM 0 HB3 GLN A 41 -10.312 7.318 4.787 1.00 3.10 H new ATOM 0 HG2 GLN A 41 -12.009 7.039 3.286 1.00 3.33 H new ATOM 0 HG3 GLN A 41 -12.243 8.775 3.337 1.00 3.33 H new ATOM 0 HE21 GLN A 41 -10.853 6.108 1.459 1.00 3.74 H new ATOM 0 HE22 GLN A 41 -10.440 7.084 0.045 1.00 3.74 H new ATOM 623 N ARG A 42 -10.818 9.816 7.168 1.00 2.61 N ATOM 624 CA ARG A 42 -11.685 9.785 8.379 1.00 2.72 C ATOM 625 C ARG A 42 -11.137 10.766 9.434 1.00 2.47 C ATOM 626 O ARG A 42 -10.658 11.829 9.090 1.00 2.27 O ATOM 627 CB ARG A 42 -11.602 8.334 8.848 1.00 2.96 C ATOM 628 CG ARG A 42 -12.945 7.912 9.452 1.00 3.28 C ATOM 629 CD ARG A 42 -13.683 6.974 8.486 1.00 3.60 C ATOM 630 NE ARG A 42 -14.095 7.829 7.329 1.00 3.50 N ATOM 631 CZ ARG A 42 -15.347 7.941 7.011 1.00 3.91 C ATOM 632 NH1 ARG A 42 -16.145 8.608 7.777 1.00 4.19 N ATOM 633 NH2 ARG A 42 -15.785 7.380 5.931 1.00 4.33 N ATOM 0 H ARG A 42 -9.869 10.155 7.324 1.00 2.61 H new ATOM 0 HA ARG A 42 -12.715 10.089 8.193 1.00 2.72 H new ATOM 0 HB2 ARG A 42 -11.348 7.684 8.010 1.00 2.96 H new ATOM 0 HB3 ARG A 42 -10.809 8.225 9.588 1.00 2.96 H new ATOM 0 HG2 ARG A 42 -12.783 7.411 10.406 1.00 3.28 H new ATOM 0 HG3 ARG A 42 -13.555 8.792 9.654 1.00 3.28 H new ATOM 0 HD2 ARG A 42 -13.036 6.159 8.160 1.00 3.60 H new ATOM 0 HD3 ARG A 42 -14.550 6.520 8.966 1.00 3.60 H new ATOM 0 HE ARG A 42 -13.387 8.326 6.788 1.00 3.50 H new ATOM 0 HH11 ARG A 42 -15.789 9.044 8.628 1.00 4.19 H new ATOM 0 HH12 ARG A 42 -17.131 8.699 7.531 1.00 4.19 H new ATOM 0 HH21 ARG A 42 -15.147 6.853 5.335 1.00 4.33 H new ATOM 0 HH22 ARG A 42 -16.769 7.464 5.675 1.00 4.33 H new ATOM 647 N ILE A 43 -11.195 10.426 10.704 1.00 2.56 N ATOM 648 CA ILE A 43 -10.662 11.342 11.767 1.00 2.41 C ATOM 649 C ILE A 43 -9.269 11.857 11.396 1.00 2.03 C ATOM 650 O ILE A 43 -8.922 12.993 11.663 1.00 1.90 O ATOM 651 CB ILE A 43 -10.579 10.492 13.041 1.00 2.61 C ATOM 652 CG1 ILE A 43 -9.952 9.115 12.760 1.00 2.64 C ATOM 653 CG2 ILE A 43 -11.976 10.292 13.607 1.00 3.01 C ATOM 654 CD1 ILE A 43 -8.696 8.942 13.621 1.00 2.74 C ATOM 0 H ILE A 43 -11.590 9.551 11.050 1.00 2.56 H new ATOM 0 HA ILE A 43 -11.303 12.214 11.893 1.00 2.41 H new ATOM 0 HB ILE A 43 -9.948 11.019 13.757 1.00 2.61 H new ATOM 0 HG12 ILE A 43 -10.669 8.325 12.981 1.00 2.64 H new ATOM 0 HG13 ILE A 43 -9.697 9.028 11.704 1.00 2.64 H new ATOM 0 HG21 ILE A 43 -11.919 9.688 14.513 1.00 3.01 H new ATOM 0 HG22 ILE A 43 -12.415 11.261 13.844 1.00 3.01 H new ATOM 0 HG23 ILE A 43 -12.598 9.783 12.870 1.00 3.01 H new ATOM 0 HD11 ILE A 43 -8.251 7.967 13.423 1.00 2.74 H new ATOM 0 HD12 ILE A 43 -7.978 9.725 13.378 1.00 2.74 H new ATOM 0 HD13 ILE A 43 -8.965 9.011 14.675 1.00 2.74 H new ATOM 666 N SER A 44 -8.479 11.015 10.781 1.00 1.95 N ATOM 667 CA SER A 44 -7.086 11.397 10.363 1.00 1.68 C ATOM 668 C SER A 44 -6.188 11.652 11.583 1.00 1.57 C ATOM 669 O SER A 44 -5.161 11.020 11.741 1.00 1.62 O ATOM 670 CB SER A 44 -7.237 12.663 9.519 1.00 1.49 C ATOM 671 OG SER A 44 -6.019 12.903 8.826 1.00 1.51 O ATOM 0 H SER A 44 -8.742 10.058 10.544 1.00 1.95 H new ATOM 0 HA SER A 44 -6.609 10.595 9.799 1.00 1.68 H new ATOM 0 HB2 SER A 44 -8.057 12.548 8.811 1.00 1.49 H new ATOM 0 HB3 SER A 44 -7.482 13.513 10.155 1.00 1.49 H new ATOM 0 HG SER A 44 -5.734 12.083 8.372 1.00 1.51 H new ATOM 677 N GLN A 45 -6.563 12.563 12.448 1.00 1.53 N ATOM 678 CA GLN A 45 -5.723 12.839 13.650 1.00 1.51 C ATOM 679 C GLN A 45 -5.793 11.658 14.629 1.00 1.76 C ATOM 680 O GLN A 45 -6.707 11.553 15.425 1.00 2.07 O ATOM 681 CB GLN A 45 -6.306 14.108 14.279 1.00 1.61 C ATOM 682 CG GLN A 45 -5.946 15.323 13.417 1.00 1.46 C ATOM 683 CD GLN A 45 -6.730 16.543 13.899 1.00 1.78 C ATOM 684 OE1 GLN A 45 -7.934 16.600 13.775 1.00 2.19 O ATOM 685 NE2 GLN A 45 -6.093 17.531 14.448 1.00 2.09 N ATOM 0 H GLN A 45 -7.411 13.124 12.372 1.00 1.53 H new ATOM 0 HA GLN A 45 -4.672 12.972 13.392 1.00 1.51 H new ATOM 0 HB2 GLN A 45 -7.389 14.019 14.365 1.00 1.61 H new ATOM 0 HB3 GLN A 45 -5.916 14.238 15.289 1.00 1.61 H new ATOM 0 HG2 GLN A 45 -4.875 15.519 13.476 1.00 1.46 H new ATOM 0 HG3 GLN A 45 -6.176 15.120 12.371 1.00 1.46 H new ATOM 0 HE21 GLN A 45 -5.080 17.488 14.555 1.00 2.09 H new ATOM 0 HE22 GLN A 45 -6.606 18.351 14.773 1.00 2.09 H new ATOM 694 N SER A 46 -4.828 10.775 14.577 1.00 1.72 N ATOM 695 CA SER A 46 -4.815 9.609 15.503 1.00 1.99 C ATOM 696 C SER A 46 -3.702 9.810 16.543 1.00 1.87 C ATOM 697 O SER A 46 -3.955 10.239 17.654 1.00 2.04 O ATOM 698 CB SER A 46 -4.556 8.387 14.614 1.00 2.17 C ATOM 699 OG SER A 46 -4.500 7.217 15.423 1.00 2.38 O ATOM 0 H SER A 46 -4.044 10.815 13.926 1.00 1.72 H new ATOM 0 HA SER A 46 -5.746 9.486 16.056 1.00 1.99 H new ATOM 0 HB2 SER A 46 -5.347 8.291 13.870 1.00 2.17 H new ATOM 0 HB3 SER A 46 -3.620 8.511 14.070 1.00 2.17 H new ATOM 0 HG SER A 46 -3.699 6.700 15.195 1.00 2.38 H new ATOM 705 N GLU A 47 -2.471 9.538 16.187 1.00 1.71 N ATOM 706 CA GLU A 47 -1.350 9.750 17.145 1.00 1.68 C ATOM 707 C GLU A 47 -0.925 11.222 17.104 1.00 1.44 C ATOM 708 O GLU A 47 -1.253 11.929 16.166 1.00 1.30 O ATOM 709 CB GLU A 47 -0.217 8.847 16.658 1.00 1.75 C ATOM 710 CG GLU A 47 -0.641 7.379 16.774 1.00 2.05 C ATOM 711 CD GLU A 47 -0.949 6.826 15.385 1.00 2.10 C ATOM 712 OE1 GLU A 47 -0.014 6.623 14.628 1.00 2.30 O ATOM 713 OE2 GLU A 47 -2.115 6.618 15.099 1.00 2.18 O ATOM 0 H GLU A 47 -2.197 9.178 15.273 1.00 1.71 H new ATOM 0 HA GLU A 47 -1.627 9.514 18.172 1.00 1.68 H new ATOM 0 HB2 GLU A 47 0.030 9.084 15.623 1.00 1.75 H new ATOM 0 HB3 GLU A 47 0.682 9.024 17.249 1.00 1.75 H new ATOM 0 HG2 GLU A 47 0.153 6.796 17.241 1.00 2.05 H new ATOM 0 HG3 GLU A 47 -1.519 7.293 17.414 1.00 2.05 H new ATOM 720 N ASP A 48 -0.214 11.682 18.113 1.00 1.48 N ATOM 721 CA ASP A 48 0.231 13.119 18.172 1.00 1.42 C ATOM 722 C ASP A 48 -0.995 14.043 18.299 1.00 1.51 C ATOM 723 O ASP A 48 -1.965 13.918 17.578 1.00 1.83 O ATOM 724 CB ASP A 48 1.011 13.393 16.873 1.00 1.30 C ATOM 725 CG ASP A 48 2.521 13.222 17.099 1.00 1.48 C ATOM 726 OD1 ASP A 48 2.969 13.399 18.219 1.00 1.95 O ATOM 727 OD2 ASP A 48 3.209 12.927 16.134 1.00 1.45 O ATOM 0 H ASP A 48 0.081 11.116 18.908 1.00 1.48 H new ATOM 0 HA ASP A 48 0.864 13.310 19.038 1.00 1.42 H new ATOM 0 HB2 ASP A 48 0.676 12.711 16.091 1.00 1.30 H new ATOM 0 HB3 ASP A 48 0.803 14.405 16.525 1.00 1.30 H new ATOM 732 N GLU A 49 -0.968 14.949 19.234 1.00 1.63 N ATOM 733 CA GLU A 49 -2.132 15.855 19.440 1.00 1.81 C ATOM 734 C GLU A 49 -1.773 17.312 19.105 1.00 1.82 C ATOM 735 O GLU A 49 -0.793 17.841 19.587 1.00 1.88 O ATOM 736 CB GLU A 49 -2.458 15.698 20.928 1.00 2.07 C ATOM 737 CG GLU A 49 -3.974 15.749 21.136 1.00 2.33 C ATOM 738 CD GLU A 49 -4.480 17.148 20.809 1.00 2.42 C ATOM 739 OE1 GLU A 49 -4.060 18.078 21.473 1.00 2.52 O ATOM 740 OE2 GLU A 49 -5.277 17.276 19.893 1.00 2.45 O ATOM 0 H GLU A 49 -0.185 15.102 19.869 1.00 1.63 H new ATOM 0 HA GLU A 49 -2.974 15.606 18.794 1.00 1.81 H new ATOM 0 HB2 GLU A 49 -2.063 14.752 21.298 1.00 2.07 H new ATOM 0 HB3 GLU A 49 -1.976 16.491 21.501 1.00 2.07 H new ATOM 0 HG2 GLU A 49 -4.465 15.014 20.498 1.00 2.33 H new ATOM 0 HG3 GLU A 49 -4.220 15.492 22.166 1.00 2.33 H new ATOM 747 N GLU A 50 -2.570 17.965 18.290 1.00 1.87 N ATOM 748 CA GLU A 50 -2.284 19.397 17.933 1.00 1.94 C ATOM 749 C GLU A 50 -3.559 20.259 18.031 1.00 2.17 C ATOM 750 O GLU A 50 -3.697 21.255 17.347 1.00 2.25 O ATOM 751 CB GLU A 50 -1.751 19.362 16.489 1.00 1.79 C ATOM 752 CG GLU A 50 -2.825 18.827 15.524 1.00 1.78 C ATOM 753 CD GLU A 50 -2.806 19.617 14.208 1.00 1.83 C ATOM 754 OE1 GLU A 50 -1.749 20.102 13.831 1.00 1.94 O ATOM 755 OE2 GLU A 50 -3.852 19.710 13.591 1.00 1.99 O ATOM 0 H GLU A 50 -3.405 17.571 17.857 1.00 1.87 H new ATOM 0 HA GLU A 50 -1.563 19.844 18.617 1.00 1.94 H new ATOM 0 HB2 GLU A 50 -1.448 20.363 16.184 1.00 1.79 H new ATOM 0 HB3 GLU A 50 -0.864 18.731 16.439 1.00 1.79 H new ATOM 0 HG2 GLU A 50 -2.648 17.770 15.323 1.00 1.78 H new ATOM 0 HG3 GLU A 50 -3.809 18.903 15.987 1.00 1.78 H new ATOM 762 N SER A 51 -4.489 19.888 18.881 1.00 2.35 N ATOM 763 CA SER A 51 -5.755 20.685 19.020 1.00 2.64 C ATOM 764 C SER A 51 -6.102 20.940 20.497 1.00 2.85 C ATOM 765 O SER A 51 -6.386 22.052 20.894 1.00 3.10 O ATOM 766 CB SER A 51 -6.835 19.829 18.341 1.00 2.71 C ATOM 767 OG SER A 51 -7.216 18.752 19.196 1.00 2.78 O ATOM 0 H SER A 51 -4.427 19.068 19.485 1.00 2.35 H new ATOM 0 HA SER A 51 -5.663 21.671 18.565 1.00 2.64 H new ATOM 0 HB2 SER A 51 -7.704 20.444 18.108 1.00 2.71 H new ATOM 0 HB3 SER A 51 -6.459 19.438 17.396 1.00 2.71 H new ATOM 0 HG SER A 51 -6.559 18.028 19.123 1.00 2.78 H new ATOM 773 N ILE A 52 -6.082 19.915 21.298 1.00 2.80 N ATOM 774 CA ILE A 52 -6.408 20.056 22.752 1.00 3.04 C ATOM 775 C ILE A 52 -5.167 20.505 23.539 1.00 3.00 C ATOM 776 O ILE A 52 -5.200 21.482 24.261 1.00 3.19 O ATOM 777 CB ILE A 52 -6.843 18.649 23.191 1.00 3.11 C ATOM 778 CG1 ILE A 52 -8.042 18.182 22.354 1.00 3.20 C ATOM 779 CG2 ILE A 52 -7.236 18.665 24.669 1.00 3.40 C ATOM 780 CD1 ILE A 52 -9.183 19.198 22.453 1.00 3.47 C ATOM 0 H ILE A 52 -5.850 18.966 21.006 1.00 2.80 H new ATOM 0 HA ILE A 52 -7.181 20.803 22.933 1.00 3.04 H new ATOM 0 HB ILE A 52 -6.010 17.963 23.042 1.00 3.11 H new ATOM 0 HG12 ILE A 52 -7.743 18.060 21.313 1.00 3.20 H new ATOM 0 HG13 ILE A 52 -8.382 17.207 22.704 1.00 3.20 H new ATOM 0 HG21 ILE A 52 -7.543 17.665 24.975 1.00 3.40 H new ATOM 0 HG22 ILE A 52 -6.383 18.981 25.269 1.00 3.40 H new ATOM 0 HG23 ILE A 52 -8.062 19.360 24.818 1.00 3.40 H new ATOM 0 HD11 ILE A 52 -10.028 18.856 21.855 1.00 3.47 H new ATOM 0 HD12 ILE A 52 -9.492 19.298 23.494 1.00 3.47 H new ATOM 0 HD13 ILE A 52 -8.843 20.164 22.081 1.00 3.47 H new ATOM 792 N VAL A 53 -4.074 19.792 23.407 1.00 2.77 N ATOM 793 CA VAL A 53 -2.828 20.165 24.146 1.00 2.77 C ATOM 794 C VAL A 53 -1.727 20.635 23.175 1.00 2.57 C ATOM 795 O VAL A 53 -0.961 21.528 23.490 1.00 2.68 O ATOM 796 CB VAL A 53 -2.408 18.886 24.891 1.00 2.75 C ATOM 797 CG1 VAL A 53 -1.828 17.858 23.911 1.00 2.48 C ATOM 798 CG2 VAL A 53 -1.350 19.237 25.936 1.00 2.84 C ATOM 0 H VAL A 53 -3.992 18.964 22.816 1.00 2.77 H new ATOM 0 HA VAL A 53 -2.993 20.996 24.831 1.00 2.77 H new ATOM 0 HB VAL A 53 -3.285 18.456 25.374 1.00 2.75 H new ATOM 0 HG11 VAL A 53 -1.536 16.960 24.456 1.00 2.48 H new ATOM 0 HG12 VAL A 53 -2.580 17.602 23.165 1.00 2.48 H new ATOM 0 HG13 VAL A 53 -0.954 18.281 23.415 1.00 2.48 H new ATOM 0 HG21 VAL A 53 -1.049 18.334 26.467 1.00 2.84 H new ATOM 0 HG22 VAL A 53 -0.482 19.674 25.442 1.00 2.84 H new ATOM 0 HG23 VAL A 53 -1.763 19.954 26.645 1.00 2.84 H new ATOM 808 N GLY A 54 -1.639 20.045 22.005 1.00 2.36 N ATOM 809 CA GLY A 54 -0.585 20.462 21.025 1.00 2.29 C ATOM 810 C GLY A 54 0.787 19.963 21.490 1.00 2.24 C ATOM 811 O GLY A 54 1.359 19.053 20.915 1.00 2.21 O ATOM 0 H GLY A 54 -2.251 19.294 21.687 1.00 2.36 H new ATOM 0 HA2 GLY A 54 -0.813 20.058 20.039 1.00 2.29 H new ATOM 0 HA3 GLY A 54 -0.574 21.548 20.930 1.00 2.29 H new ATOM 815 N ASP A 55 1.319 20.549 22.530 1.00 2.35 N ATOM 816 CA ASP A 55 2.653 20.111 23.036 1.00 2.35 C ATOM 817 C ASP A 55 2.549 19.631 24.495 1.00 2.35 C ATOM 818 O ASP A 55 1.475 19.522 25.051 1.00 2.40 O ATOM 819 CB ASP A 55 3.546 21.353 22.928 1.00 2.40 C ATOM 820 CG ASP A 55 4.993 20.936 22.658 1.00 2.51 C ATOM 821 OD1 ASP A 55 5.498 20.091 23.383 1.00 2.76 O ATOM 822 OD2 ASP A 55 5.573 21.473 21.731 1.00 2.80 O ATOM 0 H ASP A 55 0.887 21.312 23.051 1.00 2.35 H new ATOM 0 HA ASP A 55 3.054 19.273 22.466 1.00 2.35 H new ATOM 0 HB2 ASP A 55 3.189 21.999 22.126 1.00 2.40 H new ATOM 0 HB3 ASP A 55 3.492 21.931 23.850 1.00 2.40 H new ATOM 827 N GLY A 56 3.664 19.327 25.104 1.00 2.41 N ATOM 828 CA GLY A 56 3.666 18.834 26.513 1.00 2.50 C ATOM 829 C GLY A 56 4.539 17.594 26.552 1.00 2.45 C ATOM 830 O GLY A 56 5.610 17.584 27.140 1.00 2.65 O ATOM 0 H GLY A 56 4.588 19.401 24.678 1.00 2.41 H new ATOM 0 HA2 GLY A 56 4.052 19.598 27.188 1.00 2.50 H new ATOM 0 HA3 GLY A 56 2.653 18.602 26.841 1.00 2.50 H new ATOM 834 N GLU A 57 4.108 16.559 25.886 1.00 2.28 N ATOM 835 CA GLU A 57 4.924 15.316 25.830 1.00 2.37 C ATOM 836 C GLU A 57 5.122 14.856 24.374 1.00 2.23 C ATOM 837 O GLU A 57 5.803 13.881 24.117 1.00 2.37 O ATOM 838 CB GLU A 57 4.153 14.272 26.639 1.00 2.46 C ATOM 839 CG GLU A 57 4.869 14.035 27.976 1.00 2.71 C ATOM 840 CD GLU A 57 6.285 13.510 27.725 1.00 2.91 C ATOM 841 OE1 GLU A 57 6.433 12.310 27.586 1.00 3.07 O ATOM 842 OE2 GLU A 57 7.199 14.322 27.678 1.00 3.01 O ATOM 0 H GLU A 57 3.225 16.521 25.378 1.00 2.28 H new ATOM 0 HA GLU A 57 5.922 15.474 26.239 1.00 2.37 H new ATOM 0 HB2 GLU A 57 3.133 14.613 26.815 1.00 2.46 H new ATOM 0 HB3 GLU A 57 4.085 13.339 26.079 1.00 2.46 H new ATOM 0 HG2 GLU A 57 4.912 14.964 28.545 1.00 2.71 H new ATOM 0 HG3 GLU A 57 4.308 13.319 28.577 1.00 2.71 H new ATOM 849 N THR A 58 4.558 15.556 23.417 1.00 2.05 N ATOM 850 CA THR A 58 4.733 15.164 21.989 1.00 1.95 C ATOM 851 C THR A 58 6.132 15.576 21.506 1.00 2.12 C ATOM 852 O THR A 58 6.278 16.349 20.580 1.00 2.11 O ATOM 853 CB THR A 58 3.635 15.919 21.210 1.00 1.78 C ATOM 854 OG1 THR A 58 3.170 17.033 21.969 1.00 1.81 O ATOM 855 CG2 THR A 58 2.462 14.980 20.937 1.00 1.88 C ATOM 0 H THR A 58 3.983 16.384 23.569 1.00 2.05 H new ATOM 0 HA THR A 58 4.647 14.087 21.843 1.00 1.95 H new ATOM 0 HB THR A 58 4.055 16.273 20.269 1.00 1.78 H new ATOM 0 HG1 THR A 58 2.514 17.536 21.443 1.00 1.81 H new ATOM 0 HG21 THR A 58 1.688 15.515 20.387 1.00 1.88 H new ATOM 0 HG22 THR A 58 2.806 14.131 20.346 1.00 1.88 H new ATOM 0 HG23 THR A 58 2.054 14.623 21.883 1.00 1.88 H new ATOM 863 N LYS A 59 7.164 15.062 22.134 1.00 2.37 N ATOM 864 CA LYS A 59 8.560 15.418 21.718 1.00 2.65 C ATOM 865 C LYS A 59 8.845 14.856 20.319 1.00 2.64 C ATOM 866 O LYS A 59 8.514 13.723 20.025 1.00 2.59 O ATOM 867 CB LYS A 59 9.474 14.766 22.765 1.00 2.94 C ATOM 868 CG LYS A 59 9.853 15.793 23.841 1.00 3.11 C ATOM 869 CD LYS A 59 9.074 15.506 25.130 1.00 3.02 C ATOM 870 CE LYS A 59 8.078 16.641 25.395 1.00 2.95 C ATOM 871 NZ LYS A 59 7.797 16.579 26.861 1.00 2.96 N ATOM 0 H LYS A 59 7.100 14.411 22.917 1.00 2.37 H new ATOM 0 HA LYS A 59 8.717 16.495 21.668 1.00 2.65 H new ATOM 0 HB2 LYS A 59 8.968 13.916 23.223 1.00 2.94 H new ATOM 0 HB3 LYS A 59 10.374 14.380 22.285 1.00 2.94 H new ATOM 0 HG2 LYS A 59 10.925 15.751 24.036 1.00 3.11 H new ATOM 0 HG3 LYS A 59 9.633 16.801 23.489 1.00 3.11 H new ATOM 0 HD2 LYS A 59 8.544 14.557 25.043 1.00 3.02 H new ATOM 0 HD3 LYS A 59 9.763 15.410 25.969 1.00 3.02 H new ATOM 0 HE2 LYS A 59 8.498 17.607 25.115 1.00 2.95 H new ATOM 0 HE3 LYS A 59 7.166 16.509 24.813 1.00 2.95 H new ATOM 0 HZ1 LYS A 59 6.843 16.950 27.048 1.00 2.96 H new ATOM 0 HZ2 LYS A 59 7.854 15.592 27.184 1.00 2.96 H new ATOM 0 HZ3 LYS A 59 8.498 17.152 27.373 1.00 2.96 H new ATOM 885 N GLU A 60 9.446 15.644 19.454 1.00 2.76 N ATOM 886 CA GLU A 60 9.748 15.172 18.060 1.00 2.79 C ATOM 887 C GLU A 60 8.518 14.461 17.449 1.00 2.43 C ATOM 888 O GLU A 60 8.590 13.301 17.077 1.00 2.50 O ATOM 889 CB GLU A 60 10.928 14.206 18.221 1.00 3.16 C ATOM 890 CG GLU A 60 12.252 14.954 18.013 1.00 3.59 C ATOM 891 CD GLU A 60 12.649 15.680 19.299 1.00 3.77 C ATOM 892 OE1 GLU A 60 13.155 15.023 20.193 1.00 4.05 O ATOM 893 OE2 GLU A 60 12.449 16.881 19.363 1.00 3.80 O ATOM 0 H GLU A 60 9.742 16.599 19.655 1.00 2.76 H new ATOM 0 HA GLU A 60 9.988 15.993 17.385 1.00 2.79 H new ATOM 0 HB2 GLU A 60 10.907 13.756 19.214 1.00 3.16 H new ATOM 0 HB3 GLU A 60 10.843 13.393 17.500 1.00 3.16 H new ATOM 0 HG2 GLU A 60 13.035 14.252 17.725 1.00 3.59 H new ATOM 0 HG3 GLU A 60 12.151 15.670 17.198 1.00 3.59 H new ATOM 900 N PRO A 61 7.421 15.187 17.375 1.00 2.14 N ATOM 901 CA PRO A 61 6.159 14.622 16.821 1.00 1.83 C ATOM 902 C PRO A 61 6.225 14.489 15.291 1.00 1.78 C ATOM 903 O PRO A 61 7.012 15.141 14.628 1.00 1.95 O ATOM 904 CB PRO A 61 5.098 15.641 17.236 1.00 1.67 C ATOM 905 CG PRO A 61 5.837 16.930 17.425 1.00 1.90 C ATOM 906 CD PRO A 61 7.259 16.588 17.793 1.00 2.18 C ATOM 0 HA PRO A 61 5.954 13.617 17.190 1.00 1.83 H new ATOM 0 HB2 PRO A 61 4.327 15.739 16.472 1.00 1.67 H new ATOM 0 HB3 PRO A 61 4.599 15.336 18.156 1.00 1.67 H new ATOM 0 HG2 PRO A 61 5.810 17.525 16.512 1.00 1.90 H new ATOM 0 HG3 PRO A 61 5.371 17.527 18.209 1.00 1.90 H new ATOM 0 HD2 PRO A 61 7.969 17.239 17.282 1.00 2.18 H new ATOM 0 HD3 PRO A 61 7.431 16.705 18.863 1.00 2.18 H new ATOM 914 N PHE A 62 5.388 13.653 14.732 1.00 1.62 N ATOM 915 CA PHE A 62 5.372 13.469 13.256 1.00 1.60 C ATOM 916 C PHE A 62 3.950 13.658 12.722 1.00 1.43 C ATOM 917 O PHE A 62 3.695 14.506 11.882 1.00 1.43 O ATOM 918 CB PHE A 62 5.880 12.044 13.017 1.00 1.74 C ATOM 919 CG PHE A 62 6.443 11.943 11.622 1.00 2.28 C ATOM 920 CD1 PHE A 62 7.705 12.464 11.338 1.00 2.71 C ATOM 921 CD2 PHE A 62 5.700 11.328 10.617 1.00 2.83 C ATOM 922 CE1 PHE A 62 8.226 12.368 10.043 1.00 3.47 C ATOM 923 CE2 PHE A 62 6.220 11.230 9.324 1.00 3.55 C ATOM 924 CZ PHE A 62 7.482 11.749 9.036 1.00 3.81 C ATOM 0 H PHE A 62 4.710 13.087 15.242 1.00 1.62 H new ATOM 0 HA PHE A 62 5.996 14.196 12.737 1.00 1.60 H new ATOM 0 HB2 PHE A 62 6.646 11.791 13.750 1.00 1.74 H new ATOM 0 HB3 PHE A 62 5.067 11.329 13.146 1.00 1.74 H new ATOM 0 HD1 PHE A 62 8.280 12.942 12.118 1.00 2.71 H new ATOM 0 HD2 PHE A 62 4.722 10.927 10.837 1.00 2.83 H new ATOM 0 HE1 PHE A 62 9.203 12.772 9.822 1.00 3.47 H new ATOM 0 HE2 PHE A 62 5.644 10.751 8.546 1.00 3.55 H new ATOM 0 HZ PHE A 62 7.883 11.672 8.036 1.00 3.81 H new ATOM 934 N LEU A 63 3.013 12.903 13.231 1.00 1.35 N ATOM 935 CA LEU A 63 1.595 13.062 12.782 1.00 1.23 C ATOM 936 C LEU A 63 1.124 14.480 13.120 1.00 1.11 C ATOM 937 O LEU A 63 0.338 15.071 12.405 1.00 1.06 O ATOM 938 CB LEU A 63 0.791 12.006 13.549 1.00 1.28 C ATOM 939 CG LEU A 63 1.124 10.611 13.015 1.00 1.47 C ATOM 940 CD1 LEU A 63 1.818 9.802 14.109 1.00 1.68 C ATOM 941 CD2 LEU A 63 -0.167 9.901 12.603 1.00 1.62 C ATOM 0 H LEU A 63 3.166 12.183 13.937 1.00 1.35 H new ATOM 0 HA LEU A 63 1.473 12.925 11.708 1.00 1.23 H new ATOM 0 HB2 LEU A 63 1.021 12.063 14.613 1.00 1.28 H new ATOM 0 HB3 LEU A 63 -0.276 12.201 13.443 1.00 1.28 H new ATOM 0 HG LEU A 63 1.783 10.700 12.151 1.00 1.47 H new ATOM 0 HD11 LEU A 63 2.056 8.808 13.731 1.00 1.68 H new ATOM 0 HD12 LEU A 63 2.737 10.307 14.407 1.00 1.68 H new ATOM 0 HD13 LEU A 63 1.157 9.713 14.971 1.00 1.68 H new ATOM 0 HD21 LEU A 63 0.070 8.907 12.223 1.00 1.62 H new ATOM 0 HD22 LEU A 63 -0.825 9.811 13.468 1.00 1.62 H new ATOM 0 HD23 LEU A 63 -0.667 10.478 11.825 1.00 1.62 H new ATOM 953 N LEU A 64 1.641 15.036 14.189 1.00 1.14 N ATOM 954 CA LEU A 64 1.281 16.434 14.582 1.00 1.18 C ATOM 955 C LEU A 64 1.556 17.375 13.401 1.00 1.24 C ATOM 956 O LEU A 64 0.679 18.081 12.935 1.00 1.23 O ATOM 957 CB LEU A 64 2.200 16.759 15.766 1.00 1.33 C ATOM 958 CG LEU A 64 1.632 17.938 16.551 1.00 1.68 C ATOM 959 CD1 LEU A 64 2.076 17.840 18.011 1.00 1.90 C ATOM 960 CD2 LEU A 64 2.148 19.250 15.953 1.00 2.00 C ATOM 0 H LEU A 64 2.304 14.575 14.812 1.00 1.14 H new ATOM 0 HA LEU A 64 0.231 16.547 14.850 1.00 1.18 H new ATOM 0 HB2 LEU A 64 2.293 15.889 16.416 1.00 1.33 H new ATOM 0 HB3 LEU A 64 3.201 16.998 15.407 1.00 1.33 H new ATOM 0 HG LEU A 64 0.544 17.916 16.497 1.00 1.68 H new ATOM 0 HD11 LEU A 64 1.670 18.682 18.572 1.00 1.90 H new ATOM 0 HD12 LEU A 64 1.710 16.908 18.441 1.00 1.90 H new ATOM 0 HD13 LEU A 64 3.165 17.860 18.062 1.00 1.90 H new ATOM 0 HD21 LEU A 64 1.741 20.091 16.515 1.00 2.00 H new ATOM 0 HD22 LEU A 64 3.237 19.271 16.006 1.00 2.00 H new ATOM 0 HD23 LEU A 64 1.834 19.324 14.912 1.00 2.00 H new ATOM 972 N VAL A 65 2.765 17.360 12.888 1.00 1.38 N ATOM 973 CA VAL A 65 3.085 18.225 11.710 1.00 1.54 C ATOM 974 C VAL A 65 2.267 17.746 10.512 1.00 1.46 C ATOM 975 O VAL A 65 1.853 18.528 9.683 1.00 1.53 O ATOM 976 CB VAL A 65 4.578 18.052 11.427 1.00 1.75 C ATOM 977 CG1 VAL A 65 5.027 19.118 10.427 1.00 2.04 C ATOM 978 CG2 VAL A 65 5.393 18.204 12.720 1.00 1.82 C ATOM 0 H VAL A 65 3.538 16.790 13.232 1.00 1.38 H new ATOM 0 HA VAL A 65 2.849 19.272 11.899 1.00 1.54 H new ATOM 0 HB VAL A 65 4.745 17.055 11.018 1.00 1.75 H new ATOM 0 HG11 VAL A 65 6.091 18.999 10.222 1.00 2.04 H new ATOM 0 HG12 VAL A 65 4.464 19.008 9.500 1.00 2.04 H new ATOM 0 HG13 VAL A 65 4.847 20.108 10.845 1.00 2.04 H new ATOM 0 HG21 VAL A 65 6.453 18.078 12.499 1.00 1.82 H new ATOM 0 HG22 VAL A 65 5.226 19.195 13.141 1.00 1.82 H new ATOM 0 HG23 VAL A 65 5.080 17.447 13.439 1.00 1.82 H new ATOM 988 N GLN A 66 2.015 16.461 10.432 1.00 1.36 N ATOM 989 CA GLN A 66 1.194 15.928 9.303 1.00 1.37 C ATOM 990 C GLN A 66 -0.185 16.592 9.339 1.00 1.21 C ATOM 991 O GLN A 66 -0.645 17.130 8.351 1.00 1.30 O ATOM 992 CB GLN A 66 1.095 14.415 9.530 1.00 1.36 C ATOM 993 CG GLN A 66 1.353 13.674 8.208 1.00 1.58 C ATOM 994 CD GLN A 66 0.052 13.057 7.682 1.00 1.91 C ATOM 995 OE1 GLN A 66 -0.364 13.341 6.576 1.00 2.41 O ATOM 996 NE2 GLN A 66 -0.608 12.216 8.428 1.00 2.12 N ATOM 0 H GLN A 66 2.342 15.762 11.098 1.00 1.36 H new ATOM 0 HA GLN A 66 1.632 16.135 8.327 1.00 1.37 H new ATOM 0 HB2 GLN A 66 1.821 14.102 10.281 1.00 1.36 H new ATOM 0 HB3 GLN A 66 0.108 14.159 9.915 1.00 1.36 H new ATOM 0 HG2 GLN A 66 1.761 14.364 7.470 1.00 1.58 H new ATOM 0 HG3 GLN A 66 2.098 12.893 8.360 1.00 1.58 H new ATOM 0 HE21 GLN A 66 -0.260 11.976 9.357 1.00 2.12 H new ATOM 0 HE22 GLN A 66 -1.472 11.798 8.083 1.00 2.12 H new ATOM 1005 N TYR A 67 -0.820 16.605 10.482 1.00 1.05 N ATOM 1006 CA TYR A 67 -2.153 17.287 10.592 1.00 0.97 C ATOM 1007 C TYR A 67 -1.963 18.774 10.290 1.00 1.09 C ATOM 1008 O TYR A 67 -2.636 19.348 9.452 1.00 1.14 O ATOM 1009 CB TYR A 67 -2.622 17.132 12.051 1.00 0.94 C ATOM 1010 CG TYR A 67 -2.552 15.695 12.528 1.00 0.92 C ATOM 1011 CD1 TYR A 67 -2.829 14.629 11.661 1.00 0.99 C ATOM 1012 CD2 TYR A 67 -2.221 15.440 13.862 1.00 1.01 C ATOM 1013 CE1 TYR A 67 -2.770 13.309 12.135 1.00 1.14 C ATOM 1014 CE2 TYR A 67 -2.160 14.126 14.331 1.00 1.10 C ATOM 1015 CZ TYR A 67 -2.435 13.060 13.471 1.00 1.17 C ATOM 1016 OH TYR A 67 -2.382 11.762 13.943 1.00 1.38 O ATOM 0 H TYR A 67 -0.479 16.176 11.342 1.00 1.05 H new ATOM 0 HA TYR A 67 -2.878 16.859 9.899 1.00 0.97 H new ATOM 0 HB2 TYR A 67 -2.006 17.757 12.697 1.00 0.94 H new ATOM 0 HB3 TYR A 67 -3.647 17.493 12.141 1.00 0.94 H new ATOM 0 HD1 TYR A 67 -3.087 14.823 10.630 1.00 0.99 H new ATOM 0 HD2 TYR A 67 -2.012 16.261 14.532 1.00 1.01 H new ATOM 0 HE1 TYR A 67 -2.983 12.486 11.469 1.00 1.14 H new ATOM 0 HE2 TYR A 67 -1.900 13.933 15.361 1.00 1.10 H new ATOM 0 HH TYR A 67 -2.397 11.769 14.923 1.00 1.38 H new ATOM 1026 N SER A 68 -1.034 19.382 10.983 1.00 1.22 N ATOM 1027 CA SER A 68 -0.740 20.839 10.792 1.00 1.45 C ATOM 1028 C SER A 68 -0.457 21.164 9.321 1.00 1.56 C ATOM 1029 O SER A 68 -0.845 22.202 8.834 1.00 1.70 O ATOM 1030 CB SER A 68 0.504 21.116 11.640 1.00 1.61 C ATOM 1031 OG SER A 68 0.116 21.458 12.967 1.00 1.85 O ATOM 0 H SER A 68 -0.455 18.923 11.687 1.00 1.22 H new ATOM 0 HA SER A 68 -1.590 21.454 11.087 1.00 1.45 H new ATOM 0 HB2 SER A 68 1.149 20.237 11.655 1.00 1.61 H new ATOM 0 HB3 SER A 68 1.082 21.928 11.200 1.00 1.61 H new ATOM 0 HG SER A 68 -0.761 21.067 13.162 1.00 1.85 H new ATOM 1037 N ALA A 69 0.231 20.300 8.612 1.00 1.56 N ATOM 1038 CA ALA A 69 0.532 20.588 7.173 1.00 1.73 C ATOM 1039 C ALA A 69 -0.648 20.189 6.274 1.00 1.68 C ATOM 1040 O ALA A 69 -1.003 20.895 5.346 1.00 1.75 O ATOM 1041 CB ALA A 69 1.771 19.748 6.849 1.00 1.81 C ATOM 0 H ALA A 69 0.595 19.414 8.964 1.00 1.56 H new ATOM 0 HA ALA A 69 0.702 21.651 6.999 1.00 1.73 H new ATOM 0 HB1 ALA A 69 2.055 19.905 5.808 1.00 1.81 H new ATOM 0 HB2 ALA A 69 2.593 20.047 7.499 1.00 1.81 H new ATOM 0 HB3 ALA A 69 1.547 18.693 7.009 1.00 1.81 H new ATOM 1047 N LYS A 70 -1.253 19.062 6.543 1.00 1.61 N ATOM 1048 CA LYS A 70 -2.409 18.594 5.706 1.00 1.61 C ATOM 1049 C LYS A 70 -3.622 19.511 5.879 1.00 1.55 C ATOM 1050 O LYS A 70 -4.260 19.888 4.915 1.00 1.62 O ATOM 1051 CB LYS A 70 -2.742 17.184 6.207 1.00 1.59 C ATOM 1052 CG LYS A 70 -1.584 16.234 5.900 1.00 1.67 C ATOM 1053 CD LYS A 70 -1.602 15.847 4.417 1.00 1.96 C ATOM 1054 CE LYS A 70 -0.176 15.889 3.857 1.00 2.27 C ATOM 1055 NZ LYS A 70 0.223 14.455 3.689 1.00 2.52 N ATOM 0 H LYS A 70 -0.998 18.439 7.309 1.00 1.61 H new ATOM 0 HA LYS A 70 -2.154 18.604 4.646 1.00 1.61 H new ATOM 0 HB2 LYS A 70 -2.931 17.206 7.280 1.00 1.59 H new ATOM 0 HB3 LYS A 70 -3.654 16.825 5.730 1.00 1.59 H new ATOM 0 HG2 LYS A 70 -0.636 16.711 6.148 1.00 1.67 H new ATOM 0 HG3 LYS A 70 -1.663 15.340 6.519 1.00 1.67 H new ATOM 0 HD2 LYS A 70 -2.021 14.848 4.297 1.00 1.96 H new ATOM 0 HD3 LYS A 70 -2.242 16.531 3.860 1.00 1.96 H new ATOM 0 HE2 LYS A 70 -0.142 16.421 2.906 1.00 2.27 H new ATOM 0 HE3 LYS A 70 0.499 16.408 4.537 1.00 2.27 H new ATOM 0 HZ1 LYS A 70 1.227 14.403 3.423 1.00 2.52 H new ATOM 0 HZ2 LYS A 70 0.075 13.946 4.584 1.00 2.52 H new ATOM 0 HZ3 LYS A 70 -0.356 14.019 2.943 1.00 2.52 H new ATOM 1069 N GLY A 71 -3.940 19.854 7.098 1.00 1.45 N ATOM 1070 CA GLY A 71 -5.123 20.745 7.371 1.00 1.42 C ATOM 1071 C GLY A 71 -5.165 21.908 6.372 1.00 1.50 C ATOM 1072 O GLY A 71 -6.099 22.018 5.596 1.00 1.52 O ATOM 0 H GLY A 71 -3.430 19.556 7.930 1.00 1.45 H new ATOM 0 HA2 GLY A 71 -6.044 20.166 7.303 1.00 1.42 H new ATOM 0 HA3 GLY A 71 -5.065 21.134 8.388 1.00 1.42 H new ATOM 1076 N PRO A 72 -4.147 22.734 6.408 1.00 1.58 N ATOM 1077 CA PRO A 72 -4.073 23.886 5.475 1.00 1.71 C ATOM 1078 C PRO A 72 -3.897 23.386 4.036 1.00 1.79 C ATOM 1079 O PRO A 72 -4.557 23.861 3.133 1.00 1.87 O ATOM 1080 CB PRO A 72 -2.853 24.669 5.962 1.00 1.82 C ATOM 1081 CG PRO A 72 -2.021 23.660 6.681 1.00 1.75 C ATOM 1082 CD PRO A 72 -2.982 22.680 7.300 1.00 1.60 C ATOM 0 HA PRO A 72 -4.973 24.501 5.466 1.00 1.71 H new ATOM 0 HB2 PRO A 72 -2.307 25.111 5.129 1.00 1.82 H new ATOM 0 HB3 PRO A 72 -3.144 25.486 6.622 1.00 1.82 H new ATOM 0 HG2 PRO A 72 -1.341 23.156 5.994 1.00 1.75 H new ATOM 0 HG3 PRO A 72 -1.406 24.137 7.445 1.00 1.75 H new ATOM 0 HD2 PRO A 72 -2.558 21.677 7.347 1.00 1.60 H new ATOM 0 HD3 PRO A 72 -3.243 22.963 8.320 1.00 1.60 H new ATOM 1090 N CYS A 73 -3.038 22.416 3.808 1.00 1.81 N ATOM 1091 CA CYS A 73 -2.864 21.891 2.416 1.00 1.95 C ATOM 1092 C CYS A 73 -4.224 21.459 1.851 1.00 1.93 C ATOM 1093 O CYS A 73 -4.561 21.748 0.716 1.00 2.05 O ATOM 1094 CB CYS A 73 -1.922 20.691 2.541 1.00 1.98 C ATOM 1095 SG CYS A 73 -1.413 20.153 0.888 1.00 2.47 S ATOM 0 H CYS A 73 -2.457 21.971 4.518 1.00 1.81 H new ATOM 0 HA CYS A 73 -2.457 22.643 1.740 1.00 1.95 H new ATOM 0 HB2 CYS A 73 -1.048 20.961 3.133 1.00 1.98 H new ATOM 0 HB3 CYS A 73 -2.421 19.875 3.064 1.00 1.98 H new ATOM 0 HG CYS A 73 -0.611 19.135 0.991 1.00 2.47 H new ATOM 1101 N VAL A 74 -5.013 20.792 2.649 1.00 1.81 N ATOM 1102 CA VAL A 74 -6.365 20.354 2.183 1.00 1.81 C ATOM 1103 C VAL A 74 -7.300 21.562 2.118 1.00 1.76 C ATOM 1104 O VAL A 74 -7.983 21.770 1.132 1.00 1.84 O ATOM 1105 CB VAL A 74 -6.846 19.321 3.212 1.00 1.76 C ATOM 1106 CG1 VAL A 74 -8.348 19.070 3.039 1.00 1.84 C ATOM 1107 CG2 VAL A 74 -6.094 18.006 2.998 1.00 1.91 C ATOM 0 H VAL A 74 -4.781 20.530 3.607 1.00 1.81 H new ATOM 0 HA VAL A 74 -6.343 19.918 1.184 1.00 1.81 H new ATOM 0 HB VAL A 74 -6.656 19.702 4.215 1.00 1.76 H new ATOM 0 HG11 VAL A 74 -8.681 18.336 3.773 1.00 1.84 H new ATOM 0 HG12 VAL A 74 -8.892 20.003 3.186 1.00 1.84 H new ATOM 0 HG13 VAL A 74 -8.540 18.692 2.035 1.00 1.84 H new ATOM 0 HG21 VAL A 74 -6.433 17.270 3.727 1.00 1.91 H new ATOM 0 HG22 VAL A 74 -6.288 17.636 1.991 1.00 1.91 H new ATOM 0 HG23 VAL A 74 -5.024 18.174 3.123 1.00 1.91 H new ATOM 1117 N GLU A 75 -7.316 22.371 3.146 1.00 1.67 N ATOM 1118 CA GLU A 75 -8.191 23.593 3.130 1.00 1.66 C ATOM 1119 C GLU A 75 -7.892 24.425 1.876 1.00 1.79 C ATOM 1120 O GLU A 75 -8.782 24.930 1.220 1.00 1.85 O ATOM 1121 CB GLU A 75 -7.825 24.381 4.395 1.00 1.61 C ATOM 1122 CG GLU A 75 -8.827 25.533 4.601 1.00 1.66 C ATOM 1123 CD GLU A 75 -8.106 26.882 4.536 1.00 1.75 C ATOM 1124 OE1 GLU A 75 -7.295 27.144 5.411 1.00 2.00 O ATOM 1125 OE2 GLU A 75 -8.380 27.637 3.616 1.00 1.93 O ATOM 0 H GLU A 75 -6.765 22.243 3.995 1.00 1.67 H new ATOM 0 HA GLU A 75 -9.251 23.340 3.112 1.00 1.66 H new ATOM 0 HB2 GLU A 75 -7.834 23.720 5.262 1.00 1.61 H new ATOM 0 HB3 GLU A 75 -6.814 24.778 4.307 1.00 1.61 H new ATOM 0 HG2 GLU A 75 -9.603 25.490 3.837 1.00 1.66 H new ATOM 0 HG3 GLU A 75 -9.323 25.424 5.565 1.00 1.66 H new ATOM 1132 N ARG A 76 -6.637 24.547 1.542 1.00 1.88 N ATOM 1133 CA ARG A 76 -6.241 25.327 0.332 1.00 2.06 C ATOM 1134 C ARG A 76 -6.664 24.592 -0.948 1.00 2.16 C ATOM 1135 O ARG A 76 -7.276 25.173 -1.821 1.00 2.27 O ATOM 1136 CB ARG A 76 -4.716 25.459 0.416 1.00 2.14 C ATOM 1137 CG ARG A 76 -4.360 26.827 1.005 1.00 2.20 C ATOM 1138 CD ARG A 76 -4.443 26.758 2.530 1.00 2.08 C ATOM 1139 NE ARG A 76 -5.286 27.926 2.923 1.00 2.37 N ATOM 1140 CZ ARG A 76 -4.870 28.756 3.821 1.00 2.44 C ATOM 1141 NH1 ARG A 76 -3.880 29.547 3.560 1.00 2.90 N ATOM 1142 NH2 ARG A 76 -5.437 28.779 4.982 1.00 2.33 N ATOM 0 H ARG A 76 -5.860 24.136 2.060 1.00 1.88 H new ATOM 0 HA ARG A 76 -6.725 26.303 0.298 1.00 2.06 H new ATOM 0 HB2 ARG A 76 -4.304 24.664 1.037 1.00 2.14 H new ATOM 0 HB3 ARG A 76 -4.275 25.350 -0.575 1.00 2.14 H new ATOM 0 HG2 ARG A 76 -3.356 27.118 0.697 1.00 2.20 H new ATOM 0 HG3 ARG A 76 -5.043 27.588 0.626 1.00 2.20 H new ATOM 0 HD2 ARG A 76 -4.890 25.820 2.859 1.00 2.08 H new ATOM 0 HD3 ARG A 76 -3.453 26.815 2.982 1.00 2.08 H new ATOM 0 HE ARG A 76 -6.194 28.069 2.481 1.00 2.37 H new ATOM 0 HH11 ARG A 76 -3.429 29.515 2.646 1.00 2.90 H new ATOM 0 HH12 ARG A 76 -3.551 30.203 4.268 1.00 2.90 H new ATOM 0 HH21 ARG A 76 -6.209 28.144 5.185 1.00 2.33 H new ATOM 0 HH22 ARG A 76 -5.113 29.432 5.695 1.00 2.33 H new ATOM 1156 N LYS A 77 -6.358 23.317 -1.065 1.00 2.17 N ATOM 1157 CA LYS A 77 -6.772 22.565 -2.299 1.00 2.32 C ATOM 1158 C LYS A 77 -8.308 22.505 -2.391 1.00 2.25 C ATOM 1159 O LYS A 77 -8.879 22.452 -3.472 1.00 2.40 O ATOM 1160 CB LYS A 77 -6.129 21.165 -2.174 1.00 2.37 C ATOM 1161 CG LYS A 77 -7.090 20.160 -1.514 1.00 2.33 C ATOM 1162 CD LYS A 77 -7.625 19.184 -2.570 1.00 2.37 C ATOM 1163 CE LYS A 77 -9.156 19.169 -2.528 1.00 2.36 C ATOM 1164 NZ LYS A 77 -9.580 19.886 -3.769 1.00 2.25 N ATOM 0 H LYS A 77 -5.847 22.771 -0.371 1.00 2.17 H new ATOM 0 HA LYS A 77 -6.438 23.049 -3.217 1.00 2.32 H new ATOM 0 HB2 LYS A 77 -5.846 20.804 -3.163 1.00 2.37 H new ATOM 0 HB3 LYS A 77 -5.214 21.235 -1.586 1.00 2.37 H new ATOM 0 HG2 LYS A 77 -6.573 19.611 -0.727 1.00 2.33 H new ATOM 0 HG3 LYS A 77 -7.918 20.690 -1.042 1.00 2.33 H new ATOM 0 HD2 LYS A 77 -7.281 19.481 -3.561 1.00 2.37 H new ATOM 0 HD3 LYS A 77 -7.236 18.183 -2.384 1.00 2.37 H new ATOM 0 HE2 LYS A 77 -9.541 18.149 -2.509 1.00 2.36 H new ATOM 0 HE3 LYS A 77 -9.532 19.668 -1.635 1.00 2.36 H new ATOM 0 HZ1 LYS A 77 -10.566 20.202 -3.668 1.00 2.25 H new ATOM 0 HZ2 LYS A 77 -8.966 20.711 -3.920 1.00 2.25 H new ATOM 0 HZ3 LYS A 77 -9.504 19.244 -4.584 1.00 2.25 H new ATOM 1178 N ALA A 78 -8.980 22.521 -1.267 1.00 2.05 N ATOM 1179 CA ALA A 78 -10.475 22.486 -1.277 1.00 2.00 C ATOM 1180 C ALA A 78 -11.013 23.859 -1.683 1.00 2.01 C ATOM 1181 O ALA A 78 -11.906 23.970 -2.506 1.00 2.08 O ATOM 1182 CB ALA A 78 -10.879 22.144 0.158 1.00 1.85 C ATOM 0 H ALA A 78 -8.556 22.557 -0.340 1.00 2.05 H new ATOM 0 HA ALA A 78 -10.875 21.760 -1.985 1.00 2.00 H new ATOM 0 HB1 ALA A 78 -11.966 22.100 0.229 1.00 1.85 H new ATOM 0 HB2 ALA A 78 -10.458 21.177 0.434 1.00 1.85 H new ATOM 0 HB3 ALA A 78 -10.501 22.910 0.835 1.00 1.85 H new ATOM 1188 N LYS A 79 -10.449 24.897 -1.126 1.00 1.98 N ATOM 1189 CA LYS A 79 -10.885 26.283 -1.478 1.00 2.04 C ATOM 1190 C LYS A 79 -10.475 26.597 -2.919 1.00 2.20 C ATOM 1191 O LYS A 79 -11.216 27.198 -3.669 1.00 2.25 O ATOM 1192 CB LYS A 79 -10.140 27.196 -0.503 1.00 2.04 C ATOM 1193 CG LYS A 79 -10.903 27.282 0.816 1.00 1.99 C ATOM 1194 CD LYS A 79 -10.503 28.568 1.538 1.00 1.98 C ATOM 1195 CE LYS A 79 -11.177 28.615 2.904 1.00 1.96 C ATOM 1196 NZ LYS A 79 -10.793 29.939 3.463 1.00 2.03 N ATOM 0 H LYS A 79 -9.699 24.845 -0.437 1.00 1.98 H new ATOM 0 HA LYS A 79 -11.965 26.412 -1.407 1.00 2.04 H new ATOM 0 HB2 LYS A 79 -9.135 26.812 -0.327 1.00 2.04 H new ATOM 0 HB3 LYS A 79 -10.030 28.191 -0.935 1.00 2.04 H new ATOM 0 HG2 LYS A 79 -11.977 27.272 0.631 1.00 1.99 H new ATOM 0 HG3 LYS A 79 -10.679 26.415 1.438 1.00 1.99 H new ATOM 0 HD2 LYS A 79 -9.420 28.611 1.653 1.00 1.98 H new ATOM 0 HD3 LYS A 79 -10.795 29.436 0.946 1.00 1.98 H new ATOM 0 HE2 LYS A 79 -12.259 28.520 2.816 1.00 1.96 H new ATOM 0 HE3 LYS A 79 -10.836 27.800 3.543 1.00 1.96 H new ATOM 0 HZ1 LYS A 79 -11.244 30.068 4.391 1.00 2.03 H new ATOM 0 HZ2 LYS A 79 -9.760 29.984 3.571 1.00 2.03 H new ATOM 0 HZ3 LYS A 79 -11.107 30.692 2.818 1.00 2.03 H new ATOM 1210 N LEU A 80 -9.292 26.184 -3.307 1.00 2.31 N ATOM 1211 CA LEU A 80 -8.820 26.438 -4.699 1.00 2.50 C ATOM 1212 C LEU A 80 -9.711 25.696 -5.698 1.00 2.57 C ATOM 1213 O LEU A 80 -10.162 26.260 -6.674 1.00 2.67 O ATOM 1214 CB LEU A 80 -7.379 25.914 -4.738 1.00 2.57 C ATOM 1215 CG LEU A 80 -6.747 26.232 -6.097 1.00 2.80 C ATOM 1216 CD1 LEU A 80 -5.658 27.291 -5.917 1.00 2.98 C ATOM 1217 CD2 LEU A 80 -6.123 24.963 -6.682 1.00 2.94 C ATOM 0 H LEU A 80 -8.632 25.680 -2.714 1.00 2.31 H new ATOM 0 HA LEU A 80 -8.863 27.493 -4.969 1.00 2.50 H new ATOM 0 HB2 LEU A 80 -6.795 26.371 -3.939 1.00 2.57 H new ATOM 0 HB3 LEU A 80 -7.369 24.838 -4.565 1.00 2.57 H new ATOM 0 HG LEU A 80 -7.515 26.606 -6.773 1.00 2.80 H new ATOM 0 HD11 LEU A 80 -5.208 27.518 -6.883 1.00 2.98 H new ATOM 0 HD12 LEU A 80 -6.097 28.197 -5.500 1.00 2.98 H new ATOM 0 HD13 LEU A 80 -4.892 26.914 -5.240 1.00 2.98 H new ATOM 0 HD21 LEU A 80 -5.674 25.191 -7.649 1.00 2.94 H new ATOM 0 HD22 LEU A 80 -5.355 24.589 -6.004 1.00 2.94 H new ATOM 0 HD23 LEU A 80 -6.895 24.204 -6.810 1.00 2.94 H new ATOM 1229 N MET A 81 -9.978 24.440 -5.452 1.00 2.55 N ATOM 1230 CA MET A 81 -10.857 23.663 -6.383 1.00 2.65 C ATOM 1231 C MET A 81 -12.308 24.162 -6.290 1.00 2.57 C ATOM 1232 O MET A 81 -12.938 24.447 -7.290 1.00 2.63 O ATOM 1233 CB MET A 81 -10.751 22.215 -5.914 1.00 2.70 C ATOM 1234 CG MET A 81 -11.197 21.287 -7.042 1.00 3.10 C ATOM 1235 SD MET A 81 -10.730 19.586 -6.653 1.00 3.29 S ATOM 1236 CE MET A 81 -10.979 18.926 -8.316 1.00 4.11 C ATOM 0 H MET A 81 -9.628 23.917 -4.649 1.00 2.55 H new ATOM 0 HA MET A 81 -10.554 23.774 -7.424 1.00 2.65 H new ATOM 0 HB2 MET A 81 -9.725 21.988 -5.625 1.00 2.70 H new ATOM 0 HB3 MET A 81 -11.372 22.060 -5.032 1.00 2.70 H new ATOM 0 HG2 MET A 81 -12.276 21.356 -7.177 1.00 3.10 H new ATOM 0 HG3 MET A 81 -10.738 21.594 -7.982 1.00 3.10 H new ATOM 0 HE1 MET A 81 -10.746 17.861 -8.323 1.00 4.11 H new ATOM 0 HE2 MET A 81 -12.017 19.073 -8.614 1.00 4.11 H new ATOM 0 HE3 MET A 81 -10.324 19.445 -9.015 1.00 4.11 H new ATOM 1246 N THR A 82 -12.833 24.273 -5.097 1.00 2.47 N ATOM 1247 CA THR A 82 -14.239 24.763 -4.927 1.00 2.43 C ATOM 1248 C THR A 82 -14.234 26.034 -4.062 1.00 2.35 C ATOM 1249 O THR A 82 -14.392 25.963 -2.857 1.00 2.32 O ATOM 1250 CB THR A 82 -15.007 23.622 -4.227 1.00 2.48 C ATOM 1251 OG1 THR A 82 -14.112 22.805 -3.477 1.00 2.47 O ATOM 1252 CG2 THR A 82 -15.710 22.759 -5.277 1.00 2.71 C ATOM 0 H THR A 82 -12.349 24.045 -4.229 1.00 2.47 H new ATOM 0 HA THR A 82 -14.707 25.016 -5.879 1.00 2.43 H new ATOM 0 HB THR A 82 -15.741 24.060 -3.551 1.00 2.48 H new ATOM 0 HG1 THR A 82 -13.549 23.372 -2.909 1.00 2.47 H new ATOM 0 HG21 THR A 82 -16.252 21.953 -4.782 1.00 2.71 H new ATOM 0 HG22 THR A 82 -16.410 23.373 -5.843 1.00 2.71 H new ATOM 0 HG23 THR A 82 -14.969 22.335 -5.955 1.00 2.71 H new ATOM 1260 N PRO A 83 -14.028 27.162 -4.710 1.00 2.37 N ATOM 1261 CA PRO A 83 -13.974 28.466 -3.987 1.00 2.36 C ATOM 1262 C PRO A 83 -15.344 28.896 -3.442 1.00 2.36 C ATOM 1263 O PRO A 83 -15.422 29.566 -2.429 1.00 2.40 O ATOM 1264 CB PRO A 83 -13.480 29.441 -5.053 1.00 2.47 C ATOM 1265 CG PRO A 83 -13.869 28.823 -6.356 1.00 2.52 C ATOM 1266 CD PRO A 83 -13.821 27.331 -6.160 1.00 2.46 C ATOM 0 HA PRO A 83 -13.332 28.419 -3.108 1.00 2.36 H new ATOM 0 HB2 PRO A 83 -13.936 30.423 -4.931 1.00 2.47 H new ATOM 0 HB3 PRO A 83 -12.401 29.581 -4.990 1.00 2.47 H new ATOM 0 HG2 PRO A 83 -14.868 29.142 -6.652 1.00 2.52 H new ATOM 0 HG3 PRO A 83 -13.188 29.131 -7.149 1.00 2.52 H new ATOM 0 HD2 PRO A 83 -14.596 26.826 -6.737 1.00 2.46 H new ATOM 0 HD3 PRO A 83 -12.865 26.916 -6.479 1.00 2.46 H new ATOM 1274 N ASN A 84 -16.412 28.529 -4.109 1.00 2.36 N ATOM 1275 CA ASN A 84 -17.799 28.909 -3.659 1.00 2.43 C ATOM 1276 C ASN A 84 -18.027 30.422 -3.810 1.00 2.42 C ATOM 1277 O ASN A 84 -18.992 30.853 -4.412 1.00 2.48 O ATOM 1278 CB ASN A 84 -17.882 28.480 -2.188 1.00 2.53 C ATOM 1279 CG ASN A 84 -19.153 27.664 -1.956 1.00 2.79 C ATOM 1280 OD1 ASN A 84 -19.547 26.874 -2.787 1.00 2.93 O ATOM 1281 ND2 ASN A 84 -19.812 27.817 -0.848 1.00 3.06 N ATOM 0 H ASN A 84 -16.385 27.972 -4.963 1.00 2.36 H new ATOM 0 HA ASN A 84 -18.568 28.425 -4.261 1.00 2.43 H new ATOM 0 HB2 ASN A 84 -17.006 27.888 -1.923 1.00 2.53 H new ATOM 0 HB3 ASN A 84 -17.881 29.359 -1.543 1.00 2.53 H new ATOM 0 HD21 ASN A 84 -20.658 27.273 -0.679 1.00 3.06 H new ATOM 0 HD22 ASN A 84 -19.483 28.481 -0.147 1.00 3.06 H new ATOM 1288 N GLY A 85 -17.146 31.223 -3.278 1.00 2.40 N ATOM 1289 CA GLY A 85 -17.302 32.703 -3.396 1.00 2.46 C ATOM 1290 C GLY A 85 -16.222 33.401 -2.565 1.00 2.55 C ATOM 1291 O GLY A 85 -15.051 33.307 -2.872 1.00 2.54 O ATOM 0 H GLY A 85 -16.320 30.916 -2.764 1.00 2.40 H new ATOM 0 HA2 GLY A 85 -17.223 33.005 -4.440 1.00 2.46 H new ATOM 0 HA3 GLY A 85 -18.291 33.003 -3.051 1.00 2.46 H new ATOM 1295 N PRO A 86 -16.654 34.083 -1.530 1.00 2.77 N ATOM 1296 CA PRO A 86 -15.698 34.805 -0.646 1.00 2.99 C ATOM 1297 C PRO A 86 -14.897 33.834 0.235 1.00 3.03 C ATOM 1298 O PRO A 86 -13.872 34.193 0.778 1.00 3.19 O ATOM 1299 CB PRO A 86 -16.601 35.694 0.208 1.00 3.32 C ATOM 1300 CG PRO A 86 -17.933 35.007 0.211 1.00 3.29 C ATOM 1301 CD PRO A 86 -18.049 34.249 -1.088 1.00 2.94 C ATOM 0 HA PRO A 86 -14.953 35.366 -1.210 1.00 2.99 H new ATOM 0 HB2 PRO A 86 -16.209 35.799 1.220 1.00 3.32 H new ATOM 0 HB3 PRO A 86 -16.676 36.698 -0.210 1.00 3.32 H new ATOM 0 HG2 PRO A 86 -18.014 34.329 1.060 1.00 3.29 H new ATOM 0 HG3 PRO A 86 -18.740 35.734 0.305 1.00 3.29 H new ATOM 0 HD2 PRO A 86 -18.540 33.286 -0.946 1.00 2.94 H new ATOM 0 HD3 PRO A 86 -18.637 34.801 -1.821 1.00 2.94 H new ATOM 1309 N GLU A 87 -15.352 32.615 0.378 1.00 2.93 N ATOM 1310 CA GLU A 87 -14.612 31.623 1.227 1.00 3.04 C ATOM 1311 C GLU A 87 -13.141 31.501 0.786 1.00 3.03 C ATOM 1312 O GLU A 87 -12.254 31.260 1.594 1.00 3.21 O ATOM 1313 CB GLU A 87 -15.353 30.298 1.016 1.00 2.98 C ATOM 1314 CG GLU A 87 -16.678 30.320 1.789 1.00 3.12 C ATOM 1315 CD GLU A 87 -17.852 30.421 0.816 1.00 2.97 C ATOM 1316 OE1 GLU A 87 -17.937 31.420 0.120 1.00 2.90 O ATOM 1317 OE2 GLU A 87 -18.646 29.498 0.783 1.00 3.02 O ATOM 0 H GLU A 87 -16.204 32.260 -0.056 1.00 2.93 H new ATOM 0 HA GLU A 87 -14.589 31.922 2.275 1.00 3.04 H new ATOM 0 HB2 GLU A 87 -15.542 30.141 -0.046 1.00 2.98 H new ATOM 0 HB3 GLU A 87 -14.736 29.466 1.356 1.00 2.98 H new ATOM 0 HG2 GLU A 87 -16.772 29.416 2.391 1.00 3.12 H new ATOM 0 HG3 GLU A 87 -16.692 31.165 2.477 1.00 3.12 H new ATOM 1324 N VAL A 88 -12.886 31.667 -0.484 1.00 2.88 N ATOM 1325 CA VAL A 88 -11.485 31.563 -1.008 1.00 2.94 C ATOM 1326 C VAL A 88 -10.848 32.955 -1.193 1.00 2.96 C ATOM 1327 O VAL A 88 -9.641 33.105 -1.131 1.00 3.15 O ATOM 1328 CB VAL A 88 -11.632 30.839 -2.357 1.00 2.79 C ATOM 1329 CG1 VAL A 88 -12.319 31.747 -3.385 1.00 2.53 C ATOM 1330 CG2 VAL A 88 -10.253 30.446 -2.890 1.00 3.03 C ATOM 0 H VAL A 88 -13.592 31.872 -1.191 1.00 2.88 H new ATOM 0 HA VAL A 88 -10.829 31.030 -0.320 1.00 2.94 H new ATOM 0 HB VAL A 88 -12.240 29.948 -2.200 1.00 2.79 H new ATOM 0 HG11 VAL A 88 -12.414 31.217 -4.333 1.00 2.53 H new ATOM 0 HG12 VAL A 88 -13.309 32.023 -3.023 1.00 2.53 H new ATOM 0 HG13 VAL A 88 -11.723 32.648 -3.531 1.00 2.53 H new ATOM 0 HG21 VAL A 88 -10.365 29.934 -3.846 1.00 3.03 H new ATOM 0 HG22 VAL A 88 -9.647 31.342 -3.027 1.00 3.03 H new ATOM 0 HG23 VAL A 88 -9.763 29.782 -2.178 1.00 3.03 H new ATOM 1340 N HIS A 89 -11.650 33.968 -1.419 1.00 2.93 N ATOM 1341 CA HIS A 89 -11.098 35.339 -1.617 1.00 3.20 C ATOM 1342 C HIS A 89 -11.093 36.113 -0.286 1.00 3.83 C ATOM 1343 O HIS A 89 -11.719 37.154 -0.147 1.00 3.90 O ATOM 1344 CB HIS A 89 -12.048 35.955 -2.649 1.00 3.06 C ATOM 1345 CG HIS A 89 -11.461 37.210 -3.222 1.00 3.44 C ATOM 1346 ND1 HIS A 89 -11.287 38.349 -2.462 1.00 3.88 N ATOM 1347 CD2 HIS A 89 -11.024 37.527 -4.483 1.00 3.72 C ATOM 1348 CE1 HIS A 89 -10.767 39.297 -3.266 1.00 4.23 C ATOM 1349 NE2 HIS A 89 -10.586 38.845 -4.510 1.00 4.18 N ATOM 0 H HIS A 89 -12.666 33.901 -1.474 1.00 2.93 H new ATOM 0 HA HIS A 89 -10.062 35.354 -1.957 1.00 3.20 H new ATOM 0 HB2 HIS A 89 -12.240 35.239 -3.448 1.00 3.06 H new ATOM 0 HB3 HIS A 89 -13.008 36.176 -2.182 1.00 3.06 H new ATOM 0 HD1 HIS A 89 -11.511 38.454 -1.472 1.00 3.88 H new ATOM 0 HD2 HIS A 89 -11.021 36.854 -5.327 1.00 3.72 H new ATOM 0 HE1 HIS A 89 -10.526 40.299 -2.944 1.00 4.23 H new ATOM 1357 N GLY A 90 -10.383 35.600 0.695 1.00 4.60 N ATOM 1358 CA GLY A 90 -10.316 36.278 2.034 1.00 5.45 C ATOM 1359 C GLY A 90 -8.996 35.923 2.721 1.00 6.42 C ATOM 1360 O GLY A 90 -7.994 36.528 2.385 1.00 6.79 O ATOM 1361 OXT GLY A 90 -9.013 35.040 3.564 1.00 7.02 O ATOM 0 H GLY A 90 -9.844 34.737 0.625 1.00 4.60 H new ATOM 0 HA2 GLY A 90 -10.395 37.358 1.911 1.00 5.45 H new ATOM 0 HA3 GLY A 90 -11.156 35.966 2.654 1.00 5.45 H new TER 1365 GLY A 90