USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 759 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 42 LYS NZ :NH3+ -167:sc= -1.47! (180deg=-1.7!) USER MOD Set 1.2: A 79 TYR OH : rot -10:sc= 1.56 USER MOD Set 2.1: A 21 CYS SG : rot -57:sc= -0.17 USER MOD Set 2.2: A 73 LYS NZ :NH3+ -123:sc= -0.987 (180deg=-4.39!) USER MOD Set 3.1: A 13 GLN : amide:sc= -0.443 K(o=1.2,f=-6!) USER MOD Set 3.2: A 88 SER OG : rot 78:sc= 1.63 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 179:sc= 0 USER MOD Single : A 6 SER OG : rot 44:sc= 0.584 USER MOD Single : A 9 MET CE :methyl -104:sc= -2.29 (180deg=-5.28!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 CYS SG : rot -131:sc= -0.362 USER MOD Single : A 32 SER OG : rot -32:sc= 0.693 USER MOD Single : A 37 ASN : amide:sc= -0.0432 X(o=-0.043,f=-0.043) USER MOD Single : A 39 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.797) USER MOD Single : A 43 ASN : amide:sc= -2.34! C(o=-2.3!,f=-6.9!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -156:sc= 1.29 USER MOD Single : A 55 TYR OH : rot 180:sc= -0.707 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0179) USER MOD Single : A 64 HIS : no HE2:sc= -5.29! C(o=-5.3!,f=-4.9!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0114 USER MOD Single : A 80 SER OG : rot 180:sc= -0.241 USER MOD Single : A 82 MET CE :methyl 150:sc= -0.418 (180deg=-1.57!) USER MOD Single : A 83 THR OG1 : rot 134:sc= 0.159 USER MOD Single : A 84 THR OG1 : rot 154:sc= -0.165 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.768 -9.158 10.708 1.00 0.00 N ATOM 2 CA GLY A 1 -33.875 -8.296 10.336 1.00 0.00 C ATOM 3 C GLY A 1 -33.728 -7.735 8.935 1.00 0.00 C ATOM 4 O GLY A 1 -34.563 -7.989 8.067 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.916 -9.516 11.673 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.714 -9.959 10.047 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.880 -8.618 10.671 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -34.807 -8.857 10.403 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -33.946 -7.474 11.048 1.00 0.00 H new ATOM 8 N SER A 2 -32.664 -6.969 8.715 1.00 0.00 N ATOM 9 CA SER A 2 -32.413 -6.366 7.411 1.00 0.00 C ATOM 10 C SER A 2 -30.915 -6.253 7.145 1.00 0.00 C ATOM 11 O SER A 2 -30.100 -6.370 8.060 1.00 0.00 O ATOM 12 CB SER A 2 -33.063 -4.984 7.332 1.00 0.00 C ATOM 13 OG SER A 2 -33.289 -4.603 5.986 1.00 0.00 O ATOM 0 H SER A 2 -31.962 -6.751 9.423 1.00 0.00 H new ATOM 0 HA SER A 2 -32.852 -7.010 6.649 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.008 -4.992 7.875 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.422 -4.249 7.819 1.00 0.00 H new ATOM 0 HG SER A 2 -33.707 -3.717 5.963 1.00 0.00 H new ATOM 19 N SER A 3 -30.560 -6.024 5.885 1.00 0.00 N ATOM 20 CA SER A 3 -29.161 -5.898 5.495 1.00 0.00 C ATOM 21 C SER A 3 -28.992 -4.838 4.411 1.00 0.00 C ATOM 22 O SER A 3 -29.970 -4.351 3.845 1.00 0.00 O ATOM 23 CB SER A 3 -28.625 -7.242 4.998 1.00 0.00 C ATOM 24 OG SER A 3 -29.342 -7.688 3.861 1.00 0.00 O ATOM 0 H SER A 3 -31.223 -5.922 5.116 1.00 0.00 H new ATOM 0 HA SER A 3 -28.592 -5.590 6.372 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.568 -7.146 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.700 -7.984 5.793 1.00 0.00 H new ATOM 0 HG SER A 3 -28.979 -8.548 3.562 1.00 0.00 H new ATOM 30 N GLY A 4 -27.742 -4.485 4.126 1.00 0.00 N ATOM 31 CA GLY A 4 -27.466 -3.486 3.111 1.00 0.00 C ATOM 32 C GLY A 4 -25.995 -3.128 3.034 1.00 0.00 C ATOM 33 O GLY A 4 -25.423 -2.615 3.996 1.00 0.00 O ATOM 0 H GLY A 4 -26.916 -4.874 4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -27.798 -3.857 2.141 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -28.045 -2.587 3.324 1.00 0.00 H new ATOM 37 N SER A 5 -25.380 -3.400 1.887 1.00 0.00 N ATOM 38 CA SER A 5 -23.965 -3.108 1.691 1.00 0.00 C ATOM 39 C SER A 5 -23.547 -3.394 0.251 1.00 0.00 C ATOM 40 O SER A 5 -23.566 -4.540 -0.197 1.00 0.00 O ATOM 41 CB SER A 5 -23.113 -3.936 2.655 1.00 0.00 C ATOM 42 OG SER A 5 -21.823 -3.371 2.810 1.00 0.00 O ATOM 0 H SER A 5 -25.839 -3.822 1.080 1.00 0.00 H new ATOM 0 HA SER A 5 -23.806 -2.049 1.895 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.607 -3.993 3.625 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.024 -4.956 2.282 1.00 0.00 H new ATOM 0 HG SER A 5 -21.305 -3.907 3.446 1.00 0.00 H new ATOM 48 N SER A 6 -23.169 -2.342 -0.468 1.00 0.00 N ATOM 49 CA SER A 6 -22.750 -2.477 -1.858 1.00 0.00 C ATOM 50 C SER A 6 -21.255 -2.208 -2.003 1.00 0.00 C ATOM 51 O SER A 6 -20.825 -1.059 -2.087 1.00 0.00 O ATOM 52 CB SER A 6 -23.541 -1.516 -2.747 1.00 0.00 C ATOM 53 OG SER A 6 -23.430 -0.182 -2.281 1.00 0.00 O ATOM 0 H SER A 6 -23.144 -1.387 -0.111 1.00 0.00 H new ATOM 0 HA SER A 6 -22.950 -3.501 -2.174 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.174 -1.578 -3.772 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.590 -1.812 -2.765 1.00 0.00 H new ATOM 0 HG SER A 6 -22.498 0.005 -2.043 1.00 0.00 H new ATOM 59 N GLY A 7 -20.467 -3.279 -2.030 1.00 0.00 N ATOM 60 CA GLY A 7 -19.029 -3.139 -2.165 1.00 0.00 C ATOM 61 C GLY A 7 -18.407 -2.401 -0.996 1.00 0.00 C ATOM 62 O GLY A 7 -19.095 -2.052 -0.037 1.00 0.00 O ATOM 0 H GLY A 7 -20.799 -4.241 -1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -18.577 -4.127 -2.249 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.804 -2.606 -3.089 1.00 0.00 H new ATOM 66 N ILE A 8 -17.102 -2.165 -1.075 1.00 0.00 N ATOM 67 CA ILE A 8 -16.387 -1.465 -0.014 1.00 0.00 C ATOM 68 C ILE A 8 -15.805 -0.150 -0.520 1.00 0.00 C ATOM 69 O ILE A 8 -15.101 -0.118 -1.529 1.00 0.00 O ATOM 70 CB ILE A 8 -15.250 -2.329 0.563 1.00 0.00 C ATOM 71 CG1 ILE A 8 -15.824 -3.543 1.297 1.00 0.00 C ATOM 72 CG2 ILE A 8 -14.380 -1.502 1.498 1.00 0.00 C ATOM 73 CD1 ILE A 8 -14.770 -4.526 1.754 1.00 0.00 C ATOM 0 H ILE A 8 -16.518 -2.448 -1.862 1.00 0.00 H new ATOM 0 HA ILE A 8 -17.112 -1.260 0.774 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.631 -2.685 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.389 -3.200 2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.527 -4.056 0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.581 -2.126 1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -13.947 -0.666 0.948 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -14.988 -1.121 2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.249 -5.361 2.266 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.220 -4.898 0.889 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.080 -4.029 2.436 1.00 0.00 H new ATOM 85 N MET A 9 -16.102 0.934 0.190 1.00 0.00 N ATOM 86 CA MET A 9 -15.605 2.253 -0.185 1.00 0.00 C ATOM 87 C MET A 9 -14.471 2.689 0.736 1.00 0.00 C ATOM 88 O MET A 9 -14.519 2.465 1.946 1.00 0.00 O ATOM 89 CB MET A 9 -16.738 3.280 -0.140 1.00 0.00 C ATOM 90 CG MET A 9 -18.048 2.766 -0.714 1.00 0.00 C ATOM 91 SD MET A 9 -17.909 2.296 -2.449 1.00 0.00 S ATOM 92 CE MET A 9 -18.566 0.630 -2.403 1.00 0.00 C ATOM 0 H MET A 9 -16.684 0.925 1.028 1.00 0.00 H new ATOM 0 HA MET A 9 -15.219 2.192 -1.203 1.00 0.00 H new ATOM 0 HB2 MET A 9 -16.899 3.586 0.894 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.433 4.169 -0.692 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.381 1.905 -0.134 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.813 3.536 -0.610 1.00 0.00 H new ATOM 0 HE1 MET A 9 -17.747 -0.086 -2.469 1.00 0.00 H new ATOM 0 HE2 MET A 9 -19.107 0.478 -1.469 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.244 0.483 -3.243 1.00 0.00 H new ATOM 102 N VAL A 10 -13.450 3.312 0.157 1.00 0.00 N ATOM 103 CA VAL A 10 -12.303 3.780 0.926 1.00 0.00 C ATOM 104 C VAL A 10 -12.590 5.130 1.574 1.00 0.00 C ATOM 105 O VAL A 10 -12.524 6.172 0.920 1.00 0.00 O ATOM 106 CB VAL A 10 -11.047 3.903 0.044 1.00 0.00 C ATOM 107 CG1 VAL A 10 -9.887 4.479 0.842 1.00 0.00 C ATOM 108 CG2 VAL A 10 -10.678 2.551 -0.548 1.00 0.00 C ATOM 0 H VAL A 10 -13.394 3.505 -0.843 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.120 3.038 1.703 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.266 4.586 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.009 4.558 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -10.156 5.468 1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.664 3.824 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.788 2.656 -1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.478 1.844 0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -11.504 2.183 -1.157 1.00 0.00 H new ATOM 118 N THR A 11 -12.908 5.106 2.865 1.00 0.00 N ATOM 119 CA THR A 11 -13.206 6.327 3.601 1.00 0.00 C ATOM 120 C THR A 11 -11.976 7.222 3.703 1.00 0.00 C ATOM 121 O THR A 11 -12.042 8.420 3.428 1.00 0.00 O ATOM 122 CB THR A 11 -13.720 6.016 5.020 1.00 0.00 C ATOM 123 OG1 THR A 11 -12.688 5.389 5.788 1.00 0.00 O ATOM 124 CG2 THR A 11 -14.941 5.111 4.967 1.00 0.00 C ATOM 0 H THR A 11 -12.966 4.253 3.422 1.00 0.00 H new ATOM 0 HA THR A 11 -13.986 6.848 3.046 1.00 0.00 H new ATOM 0 HB THR A 11 -14.005 6.956 5.494 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.022 5.196 6.689 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.286 4.905 5.980 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.735 5.604 4.407 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.678 4.174 4.476 1.00 0.00 H new ATOM 132 N LYS A 12 -10.853 6.632 4.100 1.00 0.00 N ATOM 133 CA LYS A 12 -9.606 7.375 4.237 1.00 0.00 C ATOM 134 C LYS A 12 -8.634 7.016 3.118 1.00 0.00 C ATOM 135 O LYS A 12 -7.890 6.040 3.219 1.00 0.00 O ATOM 136 CB LYS A 12 -8.964 7.088 5.596 1.00 0.00 C ATOM 137 CG LYS A 12 -7.663 7.837 5.825 1.00 0.00 C ATOM 138 CD LYS A 12 -7.090 7.552 7.203 1.00 0.00 C ATOM 139 CE LYS A 12 -5.791 8.309 7.434 1.00 0.00 C ATOM 140 NZ LYS A 12 -6.033 9.745 7.744 1.00 0.00 N ATOM 0 H LYS A 12 -10.781 5.641 4.332 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.836 8.438 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.669 7.352 6.384 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.777 6.018 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.938 7.551 5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.835 8.908 5.716 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.817 7.833 7.965 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.913 6.482 7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.243 7.848 8.256 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.162 8.230 6.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.123 10.226 7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.533 10.192 6.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.612 9.822 8.605 1.00 0.00 H new ATOM 154 N GLN A 13 -8.644 7.812 2.053 1.00 0.00 N ATOM 155 CA GLN A 13 -7.762 7.577 0.916 1.00 0.00 C ATOM 156 C GLN A 13 -6.300 7.745 1.318 1.00 0.00 C ATOM 157 O GLN A 13 -5.986 8.442 2.283 1.00 0.00 O ATOM 158 CB GLN A 13 -8.102 8.535 -0.227 1.00 0.00 C ATOM 159 CG GLN A 13 -9.537 8.413 -0.716 1.00 0.00 C ATOM 160 CD GLN A 13 -9.705 7.333 -1.766 1.00 0.00 C ATOM 161 OE1 GLN A 13 -8.964 6.349 -1.786 1.00 0.00 O ATOM 162 NE2 GLN A 13 -10.683 7.510 -2.647 1.00 0.00 N ATOM 0 H GLN A 13 -9.253 8.624 1.954 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.912 6.552 0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.925 9.559 0.103 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.425 8.347 -1.061 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.188 8.196 0.131 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.859 9.369 -1.129 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.273 8.340 -2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.844 6.816 -3.377 1.00 0.00 H new ATOM 171 N LEU A 14 -5.409 7.101 0.571 1.00 0.00 N ATOM 172 CA LEU A 14 -3.979 7.179 0.849 1.00 0.00 C ATOM 173 C LEU A 14 -3.469 8.606 0.682 1.00 0.00 C ATOM 174 O LEU A 14 -3.957 9.355 -0.164 1.00 0.00 O ATOM 175 CB LEU A 14 -3.208 6.237 -0.078 1.00 0.00 C ATOM 176 CG LEU A 14 -3.651 4.774 -0.068 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.102 4.042 -1.283 1.00 0.00 C ATOM 178 CD2 LEU A 14 -3.205 4.090 1.216 1.00 0.00 C ATOM 0 H LEU A 14 -5.652 6.520 -0.231 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.817 6.874 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.292 6.614 -1.097 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.153 6.278 0.191 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.740 4.744 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.428 3.002 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.472 4.517 -2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.013 4.082 -1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.529 3.049 1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.118 4.131 1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.648 4.599 2.072 1.00 0.00 H new ATOM 190 N GLU A 15 -2.482 8.975 1.492 1.00 0.00 N ATOM 191 CA GLU A 15 -1.904 10.313 1.433 1.00 0.00 C ATOM 192 C GLU A 15 -0.423 10.250 1.072 1.00 0.00 C ATOM 193 O GLU A 15 0.309 9.387 1.557 1.00 0.00 O ATOM 194 CB GLU A 15 -2.084 11.030 2.772 1.00 0.00 C ATOM 195 CG GLU A 15 -1.495 10.275 3.951 1.00 0.00 C ATOM 196 CD GLU A 15 -1.543 11.075 5.239 1.00 0.00 C ATOM 197 OE1 GLU A 15 -2.642 11.543 5.605 1.00 0.00 O ATOM 198 OE2 GLU A 15 -0.483 11.234 5.879 1.00 0.00 O ATOM 0 H GLU A 15 -2.066 8.367 2.197 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.426 10.873 0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.619 12.014 2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.148 11.190 2.949 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.039 9.340 4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.461 10.012 3.729 1.00 0.00 H new ATOM 205 N ASP A 16 0.011 11.170 0.217 1.00 0.00 N ATOM 206 CA ASP A 16 1.405 11.220 -0.209 1.00 0.00 C ATOM 207 C ASP A 16 2.344 11.026 0.978 1.00 0.00 C ATOM 208 O ASP A 16 2.145 11.611 2.043 1.00 0.00 O ATOM 209 CB ASP A 16 1.702 12.554 -0.897 1.00 0.00 C ATOM 210 CG ASP A 16 3.167 12.934 -0.814 1.00 0.00 C ATOM 211 OD1 ASP A 16 3.622 13.310 0.287 1.00 0.00 O ATOM 212 OD2 ASP A 16 3.860 12.854 -1.850 1.00 0.00 O ATOM 0 H ASP A 16 -0.582 11.891 -0.194 1.00 0.00 H new ATOM 0 HA ASP A 16 1.572 10.409 -0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.404 12.494 -1.944 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.100 13.338 -0.438 1.00 0.00 H new ATOM 217 N THR A 17 3.367 10.199 0.788 1.00 0.00 N ATOM 218 CA THR A 17 4.335 9.925 1.843 1.00 0.00 C ATOM 219 C THR A 17 5.762 10.106 1.339 1.00 0.00 C ATOM 220 O THR A 17 6.083 9.747 0.206 1.00 0.00 O ATOM 221 CB THR A 17 4.174 8.496 2.395 1.00 0.00 C ATOM 222 OG1 THR A 17 2.815 8.270 2.783 1.00 0.00 O ATOM 223 CG2 THR A 17 5.092 8.270 3.587 1.00 0.00 C ATOM 0 H THR A 17 3.547 9.707 -0.087 1.00 0.00 H new ATOM 0 HA THR A 17 4.142 10.639 2.643 1.00 0.00 H new ATOM 0 HB THR A 17 4.447 7.793 1.608 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.721 7.359 3.131 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.961 7.254 3.960 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.128 8.413 3.281 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.846 8.981 4.376 1.00 0.00 H new ATOM 231 N THR A 18 6.618 10.664 2.190 1.00 0.00 N ATOM 232 CA THR A 18 8.012 10.894 1.831 1.00 0.00 C ATOM 233 C THR A 18 8.953 10.199 2.809 1.00 0.00 C ATOM 234 O THR A 18 9.113 10.637 3.948 1.00 0.00 O ATOM 235 CB THR A 18 8.343 12.398 1.797 1.00 0.00 C ATOM 236 OG1 THR A 18 7.423 13.083 0.941 1.00 0.00 O ATOM 237 CG2 THR A 18 9.766 12.627 1.309 1.00 0.00 C ATOM 0 H THR A 18 6.370 10.965 3.133 1.00 0.00 H new ATOM 0 HA THR A 18 8.155 10.476 0.834 1.00 0.00 H new ATOM 0 HB THR A 18 8.255 12.790 2.810 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.639 14.039 0.926 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.978 13.696 1.293 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.465 12.129 1.980 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.876 12.221 0.304 1.00 0.00 H new ATOM 245 N ALA A 19 9.573 9.115 2.357 1.00 0.00 N ATOM 246 CA ALA A 19 10.501 8.361 3.192 1.00 0.00 C ATOM 247 C ALA A 19 11.926 8.465 2.660 1.00 0.00 C ATOM 248 O ALA A 19 12.171 9.094 1.631 1.00 0.00 O ATOM 249 CB ALA A 19 10.071 6.904 3.275 1.00 0.00 C ATOM 0 H ALA A 19 9.450 8.738 1.417 1.00 0.00 H new ATOM 0 HA ALA A 19 10.483 8.791 4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.772 6.353 3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.073 6.843 3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.059 6.471 2.275 1.00 0.00 H new ATOM 255 N TYR A 20 12.863 7.845 3.369 1.00 0.00 N ATOM 256 CA TYR A 20 14.265 7.870 2.970 1.00 0.00 C ATOM 257 C TYR A 20 14.690 6.527 2.384 1.00 0.00 C ATOM 258 O TYR A 20 14.032 5.508 2.599 1.00 0.00 O ATOM 259 CB TYR A 20 15.152 8.220 4.166 1.00 0.00 C ATOM 260 CG TYR A 20 14.857 9.578 4.761 1.00 0.00 C ATOM 261 CD1 TYR A 20 14.919 10.728 3.983 1.00 0.00 C ATOM 262 CD2 TYR A 20 14.515 9.712 6.101 1.00 0.00 C ATOM 263 CE1 TYR A 20 14.651 11.971 4.523 1.00 0.00 C ATOM 264 CE2 TYR A 20 14.244 10.951 6.649 1.00 0.00 C ATOM 265 CZ TYR A 20 14.314 12.077 5.856 1.00 0.00 C ATOM 266 OH TYR A 20 14.044 13.314 6.398 1.00 0.00 O ATOM 0 H TYR A 20 12.677 7.319 4.223 1.00 0.00 H new ATOM 0 HA TYR A 20 14.383 8.635 2.202 1.00 0.00 H new ATOM 0 HB2 TYR A 20 15.025 7.460 4.937 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.196 8.188 3.855 1.00 0.00 H new ATOM 0 HD1 TYR A 20 15.181 10.649 2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 20 14.460 8.832 6.725 1.00 0.00 H new ATOM 0 HE1 TYR A 20 14.705 12.855 3.905 1.00 0.00 H new ATOM 0 HE2 TYR A 20 13.979 11.037 7.692 1.00 0.00 H new ATOM 0 HH TYR A 20 13.822 13.214 7.347 1.00 0.00 H new ATOM 276 N CYS A 21 15.793 6.533 1.644 1.00 0.00 N ATOM 277 CA CYS A 21 16.306 5.316 1.026 1.00 0.00 C ATOM 278 C CYS A 21 16.667 4.279 2.086 1.00 0.00 C ATOM 279 O CYS A 21 17.661 4.422 2.796 1.00 0.00 O ATOM 280 CB CYS A 21 17.531 5.632 0.167 1.00 0.00 C ATOM 281 SG CYS A 21 18.124 4.236 -0.817 1.00 0.00 S ATOM 0 H CYS A 21 16.349 7.367 1.457 1.00 0.00 H new ATOM 0 HA CYS A 21 15.523 4.903 0.390 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.289 6.457 -0.502 1.00 0.00 H new ATOM 0 HB3 CYS A 21 18.338 5.974 0.816 1.00 0.00 H new ATOM 0 HG CYS A 21 18.388 3.233 -0.033 1.00 0.00 H new ATOM 287 N GLY A 22 15.850 3.235 2.187 1.00 0.00 N ATOM 288 CA GLY A 22 16.099 2.191 3.164 1.00 0.00 C ATOM 289 C GLY A 22 15.133 2.246 4.330 1.00 0.00 C ATOM 290 O GLY A 22 14.925 1.248 5.020 1.00 0.00 O ATOM 0 H GLY A 22 15.021 3.094 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.023 1.218 2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.119 2.282 3.537 1.00 0.00 H new ATOM 294 N GLU A 23 14.542 3.416 4.553 1.00 0.00 N ATOM 295 CA GLU A 23 13.595 3.597 5.647 1.00 0.00 C ATOM 296 C GLU A 23 12.377 2.694 5.467 1.00 0.00 C ATOM 297 O GLU A 23 12.177 2.109 4.403 1.00 0.00 O ATOM 298 CB GLU A 23 13.151 5.059 5.730 1.00 0.00 C ATOM 299 CG GLU A 23 14.021 5.907 6.642 1.00 0.00 C ATOM 300 CD GLU A 23 13.776 5.624 8.112 1.00 0.00 C ATOM 301 OE1 GLU A 23 12.656 5.189 8.453 1.00 0.00 O ATOM 302 OE2 GLU A 23 14.703 5.838 8.920 1.00 0.00 O ATOM 0 H GLU A 23 14.702 4.252 3.991 1.00 0.00 H new ATOM 0 HA GLU A 23 14.095 3.323 6.576 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.160 5.490 4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.121 5.098 6.085 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.070 5.723 6.411 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.830 6.961 6.442 1.00 0.00 H new ATOM 309 N ARG A 24 11.569 2.585 6.516 1.00 0.00 N ATOM 310 CA ARG A 24 10.372 1.753 6.476 1.00 0.00 C ATOM 311 C ARG A 24 9.133 2.596 6.192 1.00 0.00 C ATOM 312 O ARG A 24 8.809 3.516 6.944 1.00 0.00 O ATOM 313 CB ARG A 24 10.201 1.005 7.799 1.00 0.00 C ATOM 314 CG ARG A 24 8.856 0.310 7.936 1.00 0.00 C ATOM 315 CD ARG A 24 8.494 0.081 9.395 1.00 0.00 C ATOM 316 NE ARG A 24 7.204 -0.590 9.540 1.00 0.00 N ATOM 317 CZ ARG A 24 6.860 -1.297 10.611 1.00 0.00 C ATOM 318 NH1 ARG A 24 7.705 -1.425 11.624 1.00 0.00 N ATOM 319 NH2 ARG A 24 5.668 -1.877 10.668 1.00 0.00 N ATOM 0 H ARG A 24 11.721 3.062 7.404 1.00 0.00 H new ATOM 0 HA ARG A 24 10.490 1.029 5.670 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.995 0.264 7.893 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.323 1.708 8.623 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.083 0.913 7.458 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.884 -0.646 7.412 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.270 -0.518 9.871 1.00 0.00 H new ATOM 0 HD3 ARG A 24 8.465 1.038 9.916 1.00 0.00 H new ATOM 0 HE ARG A 24 6.531 -0.511 8.778 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.622 -0.980 11.583 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.438 -1.968 12.445 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.016 -1.780 9.890 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.404 -2.420 11.490 1.00 0.00 H new ATOM 333 N VAL A 25 8.443 2.277 5.101 1.00 0.00 N ATOM 334 CA VAL A 25 7.239 3.004 4.718 1.00 0.00 C ATOM 335 C VAL A 25 5.985 2.291 5.212 1.00 0.00 C ATOM 336 O VAL A 25 5.868 1.071 5.095 1.00 0.00 O ATOM 337 CB VAL A 25 7.150 3.177 3.190 1.00 0.00 C ATOM 338 CG1 VAL A 25 5.949 4.033 2.819 1.00 0.00 C ATOM 339 CG2 VAL A 25 8.435 3.784 2.647 1.00 0.00 C ATOM 0 H VAL A 25 8.698 1.520 4.467 1.00 0.00 H new ATOM 0 HA VAL A 25 7.301 3.987 5.185 1.00 0.00 H new ATOM 0 HB VAL A 25 7.020 2.194 2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.902 4.144 1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.037 3.554 3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.046 5.016 3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.355 3.899 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.598 4.760 3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.274 3.129 2.881 1.00 0.00 H new ATOM 349 N GLU A 26 5.051 3.060 5.763 1.00 0.00 N ATOM 350 CA GLU A 26 3.806 2.500 6.274 1.00 0.00 C ATOM 351 C GLU A 26 2.605 3.292 5.768 1.00 0.00 C ATOM 352 O GLU A 26 2.371 4.426 6.190 1.00 0.00 O ATOM 353 CB GLU A 26 3.816 2.490 7.805 1.00 0.00 C ATOM 354 CG GLU A 26 4.561 1.307 8.401 1.00 0.00 C ATOM 355 CD GLU A 26 4.244 1.099 9.869 1.00 0.00 C ATOM 356 OE1 GLU A 26 4.263 2.091 10.626 1.00 0.00 O ATOM 357 OE2 GLU A 26 3.977 -0.057 10.260 1.00 0.00 O ATOM 0 H GLU A 26 5.133 4.071 5.867 1.00 0.00 H new ATOM 0 HA GLU A 26 3.722 1.476 5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.272 3.413 8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.788 2.481 8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.305 0.404 7.846 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.634 1.461 8.283 1.00 0.00 H new ATOM 364 N LEU A 27 1.845 2.688 4.860 1.00 0.00 N ATOM 365 CA LEU A 27 0.667 3.337 4.295 1.00 0.00 C ATOM 366 C LEU A 27 -0.605 2.852 4.983 1.00 0.00 C ATOM 367 O LEU A 27 -0.988 1.690 4.852 1.00 0.00 O ATOM 368 CB LEU A 27 0.583 3.063 2.792 1.00 0.00 C ATOM 369 CG LEU A 27 1.862 3.312 1.991 1.00 0.00 C ATOM 370 CD1 LEU A 27 1.677 2.887 0.543 1.00 0.00 C ATOM 371 CD2 LEU A 27 2.264 4.778 2.071 1.00 0.00 C ATOM 0 H LEU A 27 2.024 1.751 4.500 1.00 0.00 H new ATOM 0 HA LEU A 27 0.760 4.411 4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.285 2.024 2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.210 3.683 2.374 1.00 0.00 H new ATOM 0 HG LEU A 27 2.662 2.712 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.597 3.072 -0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.437 1.825 0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.864 3.460 0.097 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.176 4.937 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.465 5.397 1.663 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.439 5.051 3.112 1.00 0.00 H new ATOM 383 N GLU A 28 -1.254 3.751 5.716 1.00 0.00 N ATOM 384 CA GLU A 28 -2.484 3.415 6.424 1.00 0.00 C ATOM 385 C GLU A 28 -3.706 3.914 5.658 1.00 0.00 C ATOM 386 O GLU A 28 -3.658 4.953 5.000 1.00 0.00 O ATOM 387 CB GLU A 28 -2.469 4.016 7.831 1.00 0.00 C ATOM 388 CG GLU A 28 -3.519 3.424 8.756 1.00 0.00 C ATOM 389 CD GLU A 28 -3.972 4.401 9.824 1.00 0.00 C ATOM 390 OE1 GLU A 28 -3.353 4.423 10.908 1.00 0.00 O ATOM 391 OE2 GLU A 28 -4.946 5.142 9.576 1.00 0.00 O ATOM 0 H GLU A 28 -0.949 4.717 5.835 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.544 2.329 6.501 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.483 3.866 8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.625 5.092 7.759 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.381 3.109 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.116 2.531 9.233 1.00 0.00 H new ATOM 398 N CYS A 29 -4.800 3.166 5.750 1.00 0.00 N ATOM 399 CA CYS A 29 -6.035 3.530 5.066 1.00 0.00 C ATOM 400 C CYS A 29 -7.239 2.867 5.726 1.00 0.00 C ATOM 401 O CYS A 29 -7.106 1.841 6.392 1.00 0.00 O ATOM 402 CB CYS A 29 -5.963 3.131 3.591 1.00 0.00 C ATOM 403 SG CYS A 29 -5.340 1.456 3.310 1.00 0.00 S ATOM 0 H CYS A 29 -4.857 2.304 6.292 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.155 4.611 5.137 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.958 3.215 3.154 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.322 3.839 3.065 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.405 1.487 2.408 1.00 0.00 H new ATOM 409 N GLU A 30 -8.413 3.462 5.539 1.00 0.00 N ATOM 410 CA GLU A 30 -9.640 2.929 6.119 1.00 0.00 C ATOM 411 C GLU A 30 -10.666 2.620 5.033 1.00 0.00 C ATOM 412 O GLU A 30 -10.646 3.216 3.956 1.00 0.00 O ATOM 413 CB GLU A 30 -10.228 3.922 7.124 1.00 0.00 C ATOM 414 CG GLU A 30 -9.716 3.729 8.542 1.00 0.00 C ATOM 415 CD GLU A 30 -10.581 4.426 9.574 1.00 0.00 C ATOM 416 OE1 GLU A 30 -10.337 5.621 9.844 1.00 0.00 O ATOM 417 OE2 GLU A 30 -11.501 3.776 10.113 1.00 0.00 O ATOM 0 H GLU A 30 -8.540 4.313 4.991 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.394 2.002 6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.996 4.936 6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.314 3.827 7.123 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.675 2.663 8.768 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.697 4.109 8.611 1.00 0.00 H new ATOM 424 N VAL A 31 -11.563 1.683 5.324 1.00 0.00 N ATOM 425 CA VAL A 31 -12.598 1.293 4.374 1.00 0.00 C ATOM 426 C VAL A 31 -13.984 1.387 5.002 1.00 0.00 C ATOM 427 O VAL A 31 -14.125 1.756 6.168 1.00 0.00 O ATOM 428 CB VAL A 31 -12.376 -0.141 3.858 1.00 0.00 C ATOM 429 CG1 VAL A 31 -11.243 -0.174 2.843 1.00 0.00 C ATOM 430 CG2 VAL A 31 -12.092 -1.085 5.017 1.00 0.00 C ATOM 0 H VAL A 31 -11.594 1.180 6.211 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.535 1.986 3.535 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.287 -0.475 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.101 -1.195 2.490 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.491 0.471 2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.324 0.179 3.312 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.938 -2.094 4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.196 -0.755 5.544 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.938 -1.083 5.704 1.00 0.00 H new ATOM 440 N SER A 32 -15.005 1.048 4.222 1.00 0.00 N ATOM 441 CA SER A 32 -16.382 1.097 4.701 1.00 0.00 C ATOM 442 C SER A 32 -16.767 -0.213 5.382 1.00 0.00 C ATOM 443 O SER A 32 -17.879 -0.358 5.888 1.00 0.00 O ATOM 444 CB SER A 32 -17.338 1.381 3.540 1.00 0.00 C ATOM 445 OG SER A 32 -18.685 1.392 3.980 1.00 0.00 O ATOM 0 H SER A 32 -14.905 0.736 3.256 1.00 0.00 H new ATOM 0 HA SER A 32 -16.458 1.903 5.431 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.092 2.342 3.089 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.211 0.624 2.766 1.00 0.00 H new ATOM 0 HG SER A 32 -18.792 0.760 4.722 1.00 0.00 H new ATOM 451 N GLU A 33 -15.838 -1.164 5.389 1.00 0.00 N ATOM 452 CA GLU A 33 -16.080 -2.462 6.007 1.00 0.00 C ATOM 453 C GLU A 33 -14.963 -2.816 6.985 1.00 0.00 C ATOM 454 O GLU A 33 -13.935 -2.141 7.040 1.00 0.00 O ATOM 455 CB GLU A 33 -16.198 -3.548 4.935 1.00 0.00 C ATOM 456 CG GLU A 33 -17.599 -3.691 4.365 1.00 0.00 C ATOM 457 CD GLU A 33 -18.558 -4.354 5.335 1.00 0.00 C ATOM 458 OE1 GLU A 33 -18.244 -4.399 6.542 1.00 0.00 O ATOM 459 OE2 GLU A 33 -19.623 -4.828 4.886 1.00 0.00 O ATOM 0 H GLU A 33 -14.912 -1.060 4.974 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.018 -2.404 6.559 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.506 -3.322 4.124 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.889 -4.502 5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -17.981 -2.706 4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.556 -4.276 3.446 1.00 0.00 H new ATOM 466 N ASP A 34 -15.172 -3.879 7.753 1.00 0.00 N ATOM 467 CA ASP A 34 -14.184 -4.324 8.729 1.00 0.00 C ATOM 468 C ASP A 34 -13.520 -5.622 8.277 1.00 0.00 C ATOM 469 O ASP A 34 -14.042 -6.330 7.415 1.00 0.00 O ATOM 470 CB ASP A 34 -14.839 -4.521 10.097 1.00 0.00 C ATOM 471 CG ASP A 34 -15.891 -5.612 10.083 1.00 0.00 C ATOM 472 OD1 ASP A 34 -17.019 -5.344 9.617 1.00 0.00 O ATOM 473 OD2 ASP A 34 -15.587 -6.735 10.538 1.00 0.00 O ATOM 0 H ASP A 34 -16.017 -4.449 7.719 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.417 -3.554 8.810 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.073 -4.769 10.831 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.295 -3.584 10.416 1.00 0.00 H new ATOM 478 N ASP A 35 -12.368 -5.926 8.863 1.00 0.00 N ATOM 479 CA ASP A 35 -11.633 -7.138 8.521 1.00 0.00 C ATOM 480 C ASP A 35 -11.772 -7.457 7.036 1.00 0.00 C ATOM 481 O ASP A 35 -11.929 -8.616 6.652 1.00 0.00 O ATOM 482 CB ASP A 35 -12.134 -8.317 9.358 1.00 0.00 C ATOM 483 CG ASP A 35 -11.822 -8.154 10.833 1.00 0.00 C ATOM 484 OD1 ASP A 35 -10.688 -7.744 11.158 1.00 0.00 O ATOM 485 OD2 ASP A 35 -12.712 -8.436 11.661 1.00 0.00 O ATOM 0 H ASP A 35 -11.923 -5.350 9.577 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.579 -6.968 8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.211 -8.420 9.227 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.679 -9.238 8.993 1.00 0.00 H new ATOM 490 N ALA A 36 -11.714 -6.421 6.206 1.00 0.00 N ATOM 491 CA ALA A 36 -11.833 -6.591 4.763 1.00 0.00 C ATOM 492 C ALA A 36 -10.514 -7.057 4.155 1.00 0.00 C ATOM 493 O ALA A 36 -9.505 -7.171 4.850 1.00 0.00 O ATOM 494 CB ALA A 36 -12.285 -5.292 4.114 1.00 0.00 C ATOM 0 H ALA A 36 -11.585 -5.455 6.508 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.583 -7.359 4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.370 -5.434 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.254 -5.001 4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.556 -4.509 4.321 1.00 0.00 H new ATOM 500 N ASN A 37 -10.530 -7.326 2.853 1.00 0.00 N ATOM 501 CA ASN A 37 -9.335 -7.781 2.152 1.00 0.00 C ATOM 502 C ASN A 37 -9.049 -6.903 0.938 1.00 0.00 C ATOM 503 O ASN A 37 -9.506 -7.189 -0.170 1.00 0.00 O ATOM 504 CB ASN A 37 -9.499 -9.238 1.715 1.00 0.00 C ATOM 505 CG ASN A 37 -8.367 -9.704 0.820 1.00 0.00 C ATOM 506 OD1 ASN A 37 -7.192 -9.520 1.139 1.00 0.00 O ATOM 507 ND2 ASN A 37 -8.716 -10.312 -0.308 1.00 0.00 N ATOM 0 H ASN A 37 -11.357 -7.237 2.263 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.491 -7.707 2.838 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.547 -9.876 2.598 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.446 -9.352 1.188 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.998 -10.648 -0.950 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.702 -10.443 -0.533 1.00 0.00 H new ATOM 514 N VAL A 38 -8.291 -5.833 1.153 1.00 0.00 N ATOM 515 CA VAL A 38 -7.942 -4.914 0.076 1.00 0.00 C ATOM 516 C VAL A 38 -6.780 -5.452 -0.751 1.00 0.00 C ATOM 517 O VAL A 38 -6.026 -6.313 -0.297 1.00 0.00 O ATOM 518 CB VAL A 38 -7.568 -3.524 0.624 1.00 0.00 C ATOM 519 CG1 VAL A 38 -8.528 -3.109 1.729 1.00 0.00 C ATOM 520 CG2 VAL A 38 -6.132 -3.518 1.125 1.00 0.00 C ATOM 0 H VAL A 38 -7.907 -5.581 2.064 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.823 -4.821 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.649 -2.800 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.248 -2.125 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.543 -3.071 1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.482 -3.833 2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.885 -2.528 1.509 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.021 -4.254 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.459 -3.768 0.304 1.00 0.00 H new ATOM 530 N LYS A 39 -6.639 -4.937 -1.968 1.00 0.00 N ATOM 531 CA LYS A 39 -5.568 -5.364 -2.860 1.00 0.00 C ATOM 532 C LYS A 39 -4.628 -4.204 -3.174 1.00 0.00 C ATOM 533 O LYS A 39 -5.025 -3.224 -3.805 1.00 0.00 O ATOM 534 CB LYS A 39 -6.151 -5.927 -4.158 1.00 0.00 C ATOM 535 CG LYS A 39 -6.446 -7.416 -4.096 1.00 0.00 C ATOM 536 CD LYS A 39 -5.249 -8.240 -4.541 1.00 0.00 C ATOM 537 CE LYS A 39 -5.679 -9.580 -5.118 1.00 0.00 C ATOM 538 NZ LYS A 39 -4.603 -10.603 -5.008 1.00 0.00 N ATOM 0 H LYS A 39 -7.254 -4.223 -2.359 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.999 -6.145 -2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.071 -5.392 -4.395 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.452 -5.737 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.720 -7.692 -3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.303 -7.645 -4.730 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.682 -7.686 -5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.583 -8.404 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.569 -9.931 -4.596 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.953 -9.453 -6.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.726 -11.317 -5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.676 -10.145 -5.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.655 -11.063 -4.076 1.00 0.00 H new ATOM 552 N TRP A 40 -3.381 -4.323 -2.731 1.00 0.00 N ATOM 553 CA TRP A 40 -2.385 -3.285 -2.967 1.00 0.00 C ATOM 554 C TRP A 40 -1.629 -3.540 -4.266 1.00 0.00 C ATOM 555 O TRP A 40 -1.167 -4.654 -4.518 1.00 0.00 O ATOM 556 CB TRP A 40 -1.403 -3.216 -1.796 1.00 0.00 C ATOM 557 CG TRP A 40 -2.068 -2.968 -0.477 1.00 0.00 C ATOM 558 CD1 TRP A 40 -2.724 -3.883 0.296 1.00 0.00 C ATOM 559 CD2 TRP A 40 -2.144 -1.721 0.224 1.00 0.00 C ATOM 560 NE1 TRP A 40 -3.203 -3.281 1.434 1.00 0.00 N ATOM 561 CE2 TRP A 40 -2.860 -1.955 1.414 1.00 0.00 C ATOM 562 CE3 TRP A 40 -1.676 -0.431 -0.038 1.00 0.00 C ATOM 563 CZ2 TRP A 40 -3.118 -0.946 2.338 1.00 0.00 C ATOM 564 CZ3 TRP A 40 -1.933 0.570 0.880 1.00 0.00 C ATOM 565 CH2 TRP A 40 -2.647 0.308 2.056 1.00 0.00 C ATOM 0 H TRP A 40 -3.036 -5.127 -2.207 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.905 -2.331 -3.053 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.845 -4.151 -1.743 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.679 -2.423 -1.985 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.848 -4.927 0.049 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.729 -3.746 2.174 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.123 -0.220 -0.942 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.670 -1.145 3.245 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.577 1.571 0.687 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.830 1.111 2.754 1.00 0.00 H new ATOM 576 N PHE A 41 -1.505 -2.503 -5.088 1.00 0.00 N ATOM 577 CA PHE A 41 -0.805 -2.617 -6.362 1.00 0.00 C ATOM 578 C PHE A 41 0.290 -1.560 -6.477 1.00 0.00 C ATOM 579 O PHE A 41 0.080 -0.393 -6.147 1.00 0.00 O ATOM 580 CB PHE A 41 -1.791 -2.475 -7.524 1.00 0.00 C ATOM 581 CG PHE A 41 -2.924 -3.459 -7.472 1.00 0.00 C ATOM 582 CD1 PHE A 41 -4.026 -3.225 -6.666 1.00 0.00 C ATOM 583 CD2 PHE A 41 -2.888 -4.618 -8.231 1.00 0.00 C ATOM 584 CE1 PHE A 41 -5.069 -4.130 -6.616 1.00 0.00 C ATOM 585 CE2 PHE A 41 -3.929 -5.526 -8.186 1.00 0.00 C ATOM 586 CZ PHE A 41 -5.021 -5.281 -7.378 1.00 0.00 C ATOM 0 H PHE A 41 -1.880 -1.574 -4.895 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.341 -3.602 -6.407 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.198 -1.464 -7.523 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.253 -2.601 -8.464 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.070 -2.325 -6.070 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.036 -4.814 -8.865 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.921 -3.937 -5.981 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.888 -6.426 -8.782 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.837 -5.988 -7.342 1.00 0.00 H new ATOM 596 N LYS A 42 1.460 -1.978 -6.947 1.00 0.00 N ATOM 597 CA LYS A 42 2.590 -1.070 -7.107 1.00 0.00 C ATOM 598 C LYS A 42 2.748 -0.651 -8.565 1.00 0.00 C ATOM 599 O LYS A 42 3.307 -1.390 -9.375 1.00 0.00 O ATOM 600 CB LYS A 42 3.877 -1.733 -6.613 1.00 0.00 C ATOM 601 CG LYS A 42 5.010 -0.751 -6.364 1.00 0.00 C ATOM 602 CD LYS A 42 6.366 -1.395 -6.596 1.00 0.00 C ATOM 603 CE LYS A 42 7.416 -0.361 -6.973 1.00 0.00 C ATOM 604 NZ LYS A 42 8.010 0.290 -5.772 1.00 0.00 N ATOM 0 H LYS A 42 1.651 -2.941 -7.224 1.00 0.00 H new ATOM 0 HA LYS A 42 2.396 -0.179 -6.510 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.666 -2.274 -5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.201 -2.470 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.898 0.110 -7.023 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.953 -0.380 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.679 -1.921 -5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.286 -2.139 -7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.204 -0.839 -7.554 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.965 0.398 -7.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.550 1.130 -6.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.251 0.575 -5.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.644 -0.380 -5.292 1.00 0.00 H new ATOM 618 N ASN A 43 2.255 0.539 -8.892 1.00 0.00 N ATOM 619 CA ASN A 43 2.343 1.056 -10.253 1.00 0.00 C ATOM 620 C ASN A 43 1.550 0.182 -11.219 1.00 0.00 C ATOM 621 O ASN A 43 1.897 0.063 -12.393 1.00 0.00 O ATOM 622 CB ASN A 43 3.805 1.131 -10.698 1.00 0.00 C ATOM 623 CG ASN A 43 4.443 2.466 -10.364 1.00 0.00 C ATOM 624 OD1 ASN A 43 3.764 3.403 -9.944 1.00 0.00 O ATOM 625 ND2 ASN A 43 5.755 2.557 -10.549 1.00 0.00 N ATOM 0 H ASN A 43 1.790 1.164 -8.233 1.00 0.00 H new ATOM 0 HA ASN A 43 1.915 2.058 -10.263 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.369 0.331 -10.218 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.864 0.962 -11.773 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.240 3.430 -10.341 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.278 1.754 -10.899 1.00 0.00 H new ATOM 632 N GLY A 44 0.481 -0.429 -10.716 1.00 0.00 N ATOM 633 CA GLY A 44 -0.345 -1.284 -11.548 1.00 0.00 C ATOM 634 C GLY A 44 -0.061 -2.756 -11.329 1.00 0.00 C ATOM 635 O GLY A 44 -0.887 -3.609 -11.653 1.00 0.00 O ATOM 0 H GLY A 44 0.173 -0.347 -9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.396 -1.085 -11.338 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.177 -1.037 -12.596 1.00 0.00 H new ATOM 639 N GLU A 45 1.111 -3.055 -10.778 1.00 0.00 N ATOM 640 CA GLU A 45 1.503 -4.436 -10.519 1.00 0.00 C ATOM 641 C GLU A 45 0.898 -4.936 -9.210 1.00 0.00 C ATOM 642 O GLU A 45 0.759 -4.179 -8.250 1.00 0.00 O ATOM 643 CB GLU A 45 3.027 -4.557 -10.467 1.00 0.00 C ATOM 644 CG GLU A 45 3.661 -4.837 -11.819 1.00 0.00 C ATOM 645 CD GLU A 45 3.525 -6.288 -12.238 1.00 0.00 C ATOM 646 OE1 GLU A 45 2.423 -6.853 -12.073 1.00 0.00 O ATOM 647 OE2 GLU A 45 4.520 -6.859 -12.731 1.00 0.00 O ATOM 0 H GLU A 45 1.805 -2.360 -10.502 1.00 0.00 H new ATOM 0 HA GLU A 45 1.125 -5.053 -11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.443 -3.634 -10.064 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.296 -5.356 -9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.197 -4.200 -12.572 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.717 -4.571 -11.783 1.00 0.00 H new ATOM 654 N GLU A 46 0.539 -6.216 -9.181 1.00 0.00 N ATOM 655 CA GLU A 46 -0.052 -6.816 -7.991 1.00 0.00 C ATOM 656 C GLU A 46 1.028 -7.231 -6.997 1.00 0.00 C ATOM 657 O GLU A 46 1.969 -7.944 -7.348 1.00 0.00 O ATOM 658 CB GLU A 46 -0.902 -8.030 -8.374 1.00 0.00 C ATOM 659 CG GLU A 46 -1.388 -8.833 -7.179 1.00 0.00 C ATOM 660 CD GLU A 46 -2.536 -9.761 -7.528 1.00 0.00 C ATOM 661 OE1 GLU A 46 -3.646 -9.255 -7.797 1.00 0.00 O ATOM 662 OE2 GLU A 46 -2.325 -10.991 -7.532 1.00 0.00 O ATOM 0 H GLU A 46 0.647 -6.857 -9.967 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.689 -6.069 -7.517 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.764 -7.693 -8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.319 -8.681 -9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.561 -9.419 -6.779 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.705 -8.150 -6.391 1.00 0.00 H new ATOM 669 N ILE A 47 0.887 -6.780 -5.755 1.00 0.00 N ATOM 670 CA ILE A 47 1.849 -7.104 -4.710 1.00 0.00 C ATOM 671 C ILE A 47 1.515 -8.437 -4.049 1.00 0.00 C ATOM 672 O ILE A 47 0.369 -8.685 -3.674 1.00 0.00 O ATOM 673 CB ILE A 47 1.899 -6.007 -3.631 1.00 0.00 C ATOM 674 CG1 ILE A 47 2.408 -4.694 -4.230 1.00 0.00 C ATOM 675 CG2 ILE A 47 2.783 -6.444 -2.472 1.00 0.00 C ATOM 676 CD1 ILE A 47 2.494 -3.565 -3.226 1.00 0.00 C ATOM 0 H ILE A 47 0.115 -6.189 -5.448 1.00 0.00 H new ATOM 0 HA ILE A 47 2.825 -7.174 -5.191 1.00 0.00 H new ATOM 0 HB ILE A 47 0.890 -5.845 -3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.394 -4.860 -4.663 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.748 -4.396 -5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.808 -5.658 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.381 -7.357 -2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.794 -6.631 -2.835 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.862 -2.666 -3.720 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.505 -3.372 -2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.177 -3.843 -2.423 1.00 0.00 H new ATOM 688 N ILE A 48 2.524 -9.290 -3.909 1.00 0.00 N ATOM 689 CA ILE A 48 2.338 -10.597 -3.290 1.00 0.00 C ATOM 690 C ILE A 48 3.185 -10.734 -2.029 1.00 0.00 C ATOM 691 O ILE A 48 4.339 -11.161 -2.070 1.00 0.00 O ATOM 692 CB ILE A 48 2.696 -11.736 -4.262 1.00 0.00 C ATOM 693 CG1 ILE A 48 1.975 -11.542 -5.598 1.00 0.00 C ATOM 694 CG2 ILE A 48 2.340 -13.084 -3.653 1.00 0.00 C ATOM 695 CD1 ILE A 48 0.516 -11.939 -5.560 1.00 0.00 C ATOM 0 H ILE A 48 3.478 -9.100 -4.216 1.00 0.00 H new ATOM 0 HA ILE A 48 1.283 -10.674 -3.026 1.00 0.00 H new ATOM 0 HB ILE A 48 3.770 -11.714 -4.444 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.051 -10.496 -5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.483 -12.128 -6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.599 -13.879 -4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.895 -13.222 -2.725 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.271 -13.118 -3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.069 -11.775 -6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.432 -12.993 -5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.006 -11.336 -4.817 1.00 0.00 H new ATOM 707 N PRO A 49 2.600 -10.366 -0.880 1.00 0.00 N ATOM 708 CA PRO A 49 3.282 -10.441 0.415 1.00 0.00 C ATOM 709 C PRO A 49 3.499 -11.879 0.873 1.00 0.00 C ATOM 710 O PRO A 49 3.079 -12.823 0.206 1.00 0.00 O ATOM 711 CB PRO A 49 2.323 -9.717 1.363 1.00 0.00 C ATOM 712 CG PRO A 49 0.983 -9.856 0.727 1.00 0.00 C ATOM 713 CD PRO A 49 1.227 -9.848 -0.757 1.00 0.00 C ATOM 0 HA PRO A 49 4.279 -10.001 0.377 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.337 -10.163 2.357 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.599 -8.669 1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.497 -10.781 1.038 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.325 -9.037 1.019 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.511 -10.478 -1.285 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.137 -8.845 -1.174 1.00 0.00 H new ATOM 721 N GLY A 50 4.158 -12.038 2.017 1.00 0.00 N ATOM 722 CA GLY A 50 4.419 -13.364 2.545 1.00 0.00 C ATOM 723 C GLY A 50 5.530 -13.369 3.576 1.00 0.00 C ATOM 724 O GLY A 50 5.987 -12.321 4.034 1.00 0.00 O ATOM 0 H GLY A 50 4.516 -11.272 2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.508 -13.758 2.995 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.685 -14.032 1.726 1.00 0.00 H new ATOM 728 N PRO A 51 5.982 -14.573 3.959 1.00 0.00 N ATOM 729 CA PRO A 51 7.051 -14.740 4.947 1.00 0.00 C ATOM 730 C PRO A 51 8.408 -14.291 4.415 1.00 0.00 C ATOM 731 O PRO A 51 9.271 -13.854 5.176 1.00 0.00 O ATOM 732 CB PRO A 51 7.054 -16.247 5.216 1.00 0.00 C ATOM 733 CG PRO A 51 6.488 -16.853 3.979 1.00 0.00 C ATOM 734 CD PRO A 51 5.484 -15.864 3.455 1.00 0.00 C ATOM 0 HA PRO A 51 6.881 -14.135 5.837 1.00 0.00 H new ATOM 0 HB2 PRO A 51 8.062 -16.613 5.410 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.451 -16.494 6.090 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.270 -17.042 3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.016 -17.811 4.195 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.436 -15.879 2.366 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.480 -16.078 3.821 1.00 0.00 H new ATOM 742 N LYS A 52 8.589 -14.401 3.104 1.00 0.00 N ATOM 743 CA LYS A 52 9.841 -14.005 2.468 1.00 0.00 C ATOM 744 C LYS A 52 9.680 -12.680 1.730 1.00 0.00 C ATOM 745 O LYS A 52 10.585 -11.846 1.728 1.00 0.00 O ATOM 746 CB LYS A 52 10.308 -15.090 1.495 1.00 0.00 C ATOM 747 CG LYS A 52 10.924 -16.297 2.180 1.00 0.00 C ATOM 748 CD LYS A 52 11.707 -17.155 1.201 1.00 0.00 C ATOM 749 CE LYS A 52 12.690 -18.066 1.920 1.00 0.00 C ATOM 750 NZ LYS A 52 12.042 -19.323 2.387 1.00 0.00 N ATOM 0 H LYS A 52 7.885 -14.761 2.460 1.00 0.00 H new ATOM 0 HA LYS A 52 10.592 -13.878 3.248 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.459 -15.417 0.895 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.038 -14.661 0.808 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.583 -15.964 2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.138 -16.895 2.641 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.017 -17.757 0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.247 -16.514 0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.515 -18.310 1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.117 -17.539 2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.745 -19.917 2.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.271 -19.092 3.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.657 -19.839 1.570 1.00 0.00 H new ATOM 764 N SER A 53 8.522 -12.492 1.104 1.00 0.00 N ATOM 765 CA SER A 53 8.245 -11.269 0.361 1.00 0.00 C ATOM 766 C SER A 53 8.662 -10.039 1.162 1.00 0.00 C ATOM 767 O SER A 53 8.882 -10.118 2.371 1.00 0.00 O ATOM 768 CB SER A 53 6.757 -11.185 0.013 1.00 0.00 C ATOM 769 OG SER A 53 6.346 -12.310 -0.744 1.00 0.00 O ATOM 0 H SER A 53 7.761 -13.171 1.097 1.00 0.00 H new ATOM 0 HA SER A 53 8.826 -11.294 -0.561 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.169 -11.125 0.929 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.563 -10.273 -0.551 1.00 0.00 H new ATOM 0 HG SER A 53 5.547 -12.081 -1.263 1.00 0.00 H new ATOM 775 N ARG A 54 8.769 -8.904 0.479 1.00 0.00 N ATOM 776 CA ARG A 54 9.161 -7.658 1.125 1.00 0.00 C ATOM 777 C ARG A 54 7.935 -6.887 1.607 1.00 0.00 C ATOM 778 O ARG A 54 7.970 -6.236 2.652 1.00 0.00 O ATOM 779 CB ARG A 54 9.974 -6.792 0.162 1.00 0.00 C ATOM 780 CG ARG A 54 11.459 -7.117 0.157 1.00 0.00 C ATOM 781 CD ARG A 54 12.255 -6.074 -0.611 1.00 0.00 C ATOM 782 NE ARG A 54 12.370 -6.407 -2.029 1.00 0.00 N ATOM 783 CZ ARG A 54 12.782 -5.548 -2.954 1.00 0.00 C ATOM 784 NH1 ARG A 54 13.117 -4.311 -2.614 1.00 0.00 N ATOM 785 NH2 ARG A 54 12.859 -5.925 -4.224 1.00 0.00 N ATOM 0 H ARG A 54 8.590 -8.822 -0.522 1.00 0.00 H new ATOM 0 HA ARG A 54 9.778 -7.905 1.989 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.580 -6.917 -0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.841 -5.744 0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.824 -7.172 1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.616 -8.098 -0.290 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.775 -5.101 -0.505 1.00 0.00 H new ATOM 0 HD3 ARG A 54 13.251 -5.987 -0.177 1.00 0.00 H new ATOM 0 HE ARG A 54 12.120 -7.351 -2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.059 -4.017 -1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.433 -3.654 -3.327 1.00 0.00 H new ATOM 0 HH21 ARG A 54 12.602 -6.875 -4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.176 -5.264 -4.934 1.00 0.00 H new ATOM 799 N TYR A 55 6.854 -6.964 0.839 1.00 0.00 N ATOM 800 CA TYR A 55 5.619 -6.272 1.186 1.00 0.00 C ATOM 801 C TYR A 55 4.791 -7.093 2.170 1.00 0.00 C ATOM 802 O TYR A 55 4.697 -8.315 2.050 1.00 0.00 O ATOM 803 CB TYR A 55 4.799 -5.986 -0.073 1.00 0.00 C ATOM 804 CG TYR A 55 5.568 -5.240 -1.140 1.00 0.00 C ATOM 805 CD1 TYR A 55 5.722 -3.860 -1.076 1.00 0.00 C ATOM 806 CD2 TYR A 55 6.139 -5.913 -2.212 1.00 0.00 C ATOM 807 CE1 TYR A 55 6.423 -3.173 -2.048 1.00 0.00 C ATOM 808 CE2 TYR A 55 6.843 -5.235 -3.189 1.00 0.00 C ATOM 809 CZ TYR A 55 6.982 -3.865 -3.102 1.00 0.00 C ATOM 810 OH TYR A 55 7.681 -3.186 -4.073 1.00 0.00 O ATOM 0 H TYR A 55 6.808 -7.499 -0.028 1.00 0.00 H new ATOM 0 HA TYR A 55 5.884 -5.328 1.662 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.443 -6.929 -0.486 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.918 -5.405 0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.286 -3.315 -0.252 1.00 0.00 H new ATOM 0 HD2 TYR A 55 6.031 -6.985 -2.284 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.533 -2.101 -1.983 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.282 -5.774 -4.016 1.00 0.00 H new ATOM 0 HH TYR A 55 8.010 -3.821 -4.743 1.00 0.00 H new ATOM 820 N ARG A 56 4.194 -6.413 3.142 1.00 0.00 N ATOM 821 CA ARG A 56 3.374 -7.078 4.148 1.00 0.00 C ATOM 822 C ARG A 56 2.081 -6.306 4.394 1.00 0.00 C ATOM 823 O ARG A 56 2.086 -5.257 5.039 1.00 0.00 O ATOM 824 CB ARG A 56 4.152 -7.221 5.458 1.00 0.00 C ATOM 825 CG ARG A 56 5.599 -7.643 5.264 1.00 0.00 C ATOM 826 CD ARG A 56 6.483 -7.136 6.392 1.00 0.00 C ATOM 827 NE ARG A 56 5.896 -7.390 7.705 1.00 0.00 N ATOM 828 CZ ARG A 56 5.909 -8.578 8.298 1.00 0.00 C ATOM 829 NH1 ARG A 56 6.478 -9.616 7.700 1.00 0.00 N ATOM 830 NH2 ARG A 56 5.353 -8.730 9.494 1.00 0.00 N ATOM 0 H ARG A 56 4.262 -5.402 3.255 1.00 0.00 H new ATOM 0 HA ARG A 56 3.119 -8.070 3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.128 -6.270 5.991 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.650 -7.953 6.090 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.658 -8.730 5.214 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.966 -7.260 4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.459 -7.618 6.332 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.648 -6.066 6.270 1.00 0.00 H new ATOM 0 HE ARG A 56 5.452 -6.612 8.193 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.907 -9.503 6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.486 -10.527 8.158 1.00 0.00 H new ATOM 0 HH21 ARG A 56 4.915 -7.934 9.958 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.363 -9.643 9.949 1.00 0.00 H new ATOM 844 N ILE A 57 0.977 -6.831 3.875 1.00 0.00 N ATOM 845 CA ILE A 57 -0.323 -6.191 4.038 1.00 0.00 C ATOM 846 C ILE A 57 -0.989 -6.624 5.340 1.00 0.00 C ATOM 847 O ILE A 57 -1.416 -7.771 5.479 1.00 0.00 O ATOM 848 CB ILE A 57 -1.262 -6.516 2.861 1.00 0.00 C ATOM 849 CG1 ILE A 57 -0.653 -6.028 1.545 1.00 0.00 C ATOM 850 CG2 ILE A 57 -2.629 -5.886 3.085 1.00 0.00 C ATOM 851 CD1 ILE A 57 -1.231 -6.707 0.323 1.00 0.00 C ATOM 0 H ILE A 57 0.956 -7.698 3.338 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.145 -5.116 4.064 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.387 -7.597 2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.807 -4.952 1.460 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.424 -6.195 1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.282 -6.124 2.245 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.064 -6.277 4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.522 -4.804 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.753 -6.312 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.054 -7.781 0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.303 -6.518 0.275 1.00 0.00 H new ATOM 863 N ARG A 58 -1.076 -5.699 6.290 1.00 0.00 N ATOM 864 CA ARG A 58 -1.691 -5.984 7.580 1.00 0.00 C ATOM 865 C ARG A 58 -3.051 -5.303 7.697 1.00 0.00 C ATOM 866 O ARG A 58 -3.220 -4.156 7.282 1.00 0.00 O ATOM 867 CB ARG A 58 -0.777 -5.523 8.718 1.00 0.00 C ATOM 868 CG ARG A 58 -1.479 -5.429 10.062 1.00 0.00 C ATOM 869 CD ARG A 58 -0.581 -4.802 11.117 1.00 0.00 C ATOM 870 NE ARG A 58 -0.405 -3.368 10.903 1.00 0.00 N ATOM 871 CZ ARG A 58 0.115 -2.548 11.810 1.00 0.00 C ATOM 872 NH1 ARG A 58 0.507 -3.018 12.986 1.00 0.00 N ATOM 873 NH2 ARG A 58 0.243 -1.255 11.541 1.00 0.00 N ATOM 0 H ARG A 58 -0.728 -4.745 6.190 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.837 -7.062 7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.061 -6.215 8.803 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.361 -4.548 8.466 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.388 -4.837 9.958 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.782 -6.425 10.386 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -1.009 -4.971 12.105 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.392 -5.293 11.103 1.00 0.00 H new ATOM 0 HE ARG A 58 -0.697 -2.975 10.008 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.410 -4.011 13.196 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.906 -2.386 13.680 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.058 -0.890 10.637 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.642 -0.626 12.238 1.00 0.00 H new ATOM 887 N VAL A 59 -4.018 -6.016 8.266 1.00 0.00 N ATOM 888 CA VAL A 59 -5.363 -5.480 8.438 1.00 0.00 C ATOM 889 C VAL A 59 -5.707 -5.325 9.915 1.00 0.00 C ATOM 890 O VAL A 59 -5.681 -6.293 10.673 1.00 0.00 O ATOM 891 CB VAL A 59 -6.416 -6.382 7.768 1.00 0.00 C ATOM 892 CG1 VAL A 59 -6.346 -7.793 8.330 1.00 0.00 C ATOM 893 CG2 VAL A 59 -7.809 -5.796 7.947 1.00 0.00 C ATOM 0 H VAL A 59 -3.895 -6.966 8.616 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.378 -4.501 7.960 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.201 -6.432 6.701 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.097 -8.416 7.845 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.356 -8.209 8.146 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.535 -7.767 9.403 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.541 -6.446 7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.036 -5.716 9.010 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.849 -4.806 7.492 1.00 0.00 H new ATOM 903 N GLU A 60 -6.031 -4.099 10.316 1.00 0.00 N ATOM 904 CA GLU A 60 -6.381 -3.818 11.703 1.00 0.00 C ATOM 905 C GLU A 60 -7.754 -3.158 11.795 1.00 0.00 C ATOM 906 O GLU A 60 -7.933 -2.013 11.383 1.00 0.00 O ATOM 907 CB GLU A 60 -5.325 -2.916 12.346 1.00 0.00 C ATOM 908 CG GLU A 60 -4.192 -3.681 13.009 1.00 0.00 C ATOM 909 CD GLU A 60 -4.567 -4.203 14.383 1.00 0.00 C ATOM 910 OE1 GLU A 60 -5.702 -4.697 14.541 1.00 0.00 O ATOM 911 OE2 GLU A 60 -3.723 -4.117 15.299 1.00 0.00 O ATOM 0 H GLU A 60 -6.058 -3.286 9.701 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.416 -4.765 12.241 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.910 -2.257 11.584 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.806 -2.280 13.089 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.902 -4.518 12.373 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.322 -3.031 13.096 1.00 0.00 H new ATOM 918 N GLY A 61 -8.721 -3.891 12.338 1.00 0.00 N ATOM 919 CA GLY A 61 -10.066 -3.361 12.474 1.00 0.00 C ATOM 920 C GLY A 61 -10.696 -3.030 11.136 1.00 0.00 C ATOM 921 O GLY A 61 -11.091 -3.925 10.389 1.00 0.00 O ATOM 0 H GLY A 61 -8.598 -4.842 12.686 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.689 -4.088 12.996 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.039 -2.463 13.091 1.00 0.00 H new ATOM 925 N LYS A 62 -10.793 -1.741 10.832 1.00 0.00 N ATOM 926 CA LYS A 62 -11.380 -1.292 9.575 1.00 0.00 C ATOM 927 C LYS A 62 -10.371 -0.490 8.759 1.00 0.00 C ATOM 928 O LYS A 62 -10.745 0.275 7.869 1.00 0.00 O ATOM 929 CB LYS A 62 -12.625 -0.443 9.845 1.00 0.00 C ATOM 930 CG LYS A 62 -13.620 -1.103 10.783 1.00 0.00 C ATOM 931 CD LYS A 62 -14.736 -0.149 11.174 1.00 0.00 C ATOM 932 CE LYS A 62 -15.796 -0.056 10.087 1.00 0.00 C ATOM 933 NZ LYS A 62 -17.138 0.261 10.648 1.00 0.00 N ATOM 0 H LYS A 62 -10.472 -0.987 11.440 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.666 -2.173 9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.318 0.513 10.269 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.120 -0.227 8.898 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.045 -1.984 10.302 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.104 -1.447 11.679 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.195 -0.486 12.103 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.320 0.841 11.364 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.512 0.712 9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.843 -1.000 9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.833 0.316 9.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.420 -0.485 11.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -17.100 1.174 11.145 1.00 0.00 H new ATOM 947 N LYS A 63 -9.091 -0.671 9.066 1.00 0.00 N ATOM 948 CA LYS A 63 -8.028 0.033 8.359 1.00 0.00 C ATOM 949 C LYS A 63 -6.904 -0.924 7.974 1.00 0.00 C ATOM 950 O LYS A 63 -6.569 -1.839 8.727 1.00 0.00 O ATOM 951 CB LYS A 63 -7.473 1.165 9.227 1.00 0.00 C ATOM 952 CG LYS A 63 -6.457 0.700 10.256 1.00 0.00 C ATOM 953 CD LYS A 63 -5.700 1.871 10.860 1.00 0.00 C ATOM 954 CE LYS A 63 -6.597 2.714 11.753 1.00 0.00 C ATOM 955 NZ LYS A 63 -6.870 2.045 13.056 1.00 0.00 N ATOM 0 H LYS A 63 -8.765 -1.300 9.800 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.450 0.456 7.447 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.009 1.912 8.583 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.299 1.656 9.741 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.965 0.147 11.046 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.752 0.012 9.788 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.855 1.499 11.439 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.292 2.492 10.063 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.126 3.680 11.933 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.539 2.909 11.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.414 2.686 13.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.417 1.176 12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.970 1.805 13.518 1.00 0.00 H new ATOM 969 N HIS A 64 -6.325 -0.706 6.798 1.00 0.00 N ATOM 970 CA HIS A 64 -5.237 -1.548 6.314 1.00 0.00 C ATOM 971 C HIS A 64 -3.909 -0.799 6.357 1.00 0.00 C ATOM 972 O HIS A 64 -3.873 0.426 6.241 1.00 0.00 O ATOM 973 CB HIS A 64 -5.524 -2.019 4.888 1.00 0.00 C ATOM 974 CG HIS A 64 -6.660 -2.991 4.794 1.00 0.00 C ATOM 975 ND1 HIS A 64 -6.509 -4.284 4.340 1.00 0.00 N ATOM 976 CD2 HIS A 64 -7.971 -2.852 5.102 1.00 0.00 C ATOM 977 CE1 HIS A 64 -7.678 -4.898 4.371 1.00 0.00 C ATOM 978 NE2 HIS A 64 -8.582 -4.051 4.830 1.00 0.00 N ATOM 0 H HIS A 64 -6.591 0.046 6.163 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.165 -2.417 6.968 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.746 -1.152 4.266 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.626 -2.482 4.480 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -5.632 -4.701 4.029 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.447 -1.964 5.489 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.863 -5.919 4.072 1.00 0.00 H new ATOM 987 N ILE A 65 -2.821 -1.542 6.527 1.00 0.00 N ATOM 988 CA ILE A 65 -1.491 -0.948 6.585 1.00 0.00 C ATOM 989 C ILE A 65 -0.510 -1.707 5.700 1.00 0.00 C ATOM 990 O ILE A 65 -0.304 -2.910 5.871 1.00 0.00 O ATOM 991 CB ILE A 65 -0.950 -0.921 8.027 1.00 0.00 C ATOM 992 CG1 ILE A 65 -1.800 0.007 8.897 1.00 0.00 C ATOM 993 CG2 ILE A 65 0.506 -0.479 8.038 1.00 0.00 C ATOM 994 CD1 ILE A 65 -2.958 -0.693 9.574 1.00 0.00 C ATOM 0 H ILE A 65 -2.834 -2.557 6.627 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.586 0.075 6.221 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.007 -1.928 8.440 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.165 0.461 9.658 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.187 0.818 8.279 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.874 -0.465 9.064 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.102 -1.175 7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.586 0.520 7.610 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.517 0.025 10.174 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.615 -1.124 8.818 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.578 -1.486 10.218 1.00 0.00 H new ATOM 1006 N LEU A 66 0.096 -0.998 4.753 1.00 0.00 N ATOM 1007 CA LEU A 66 1.059 -1.605 3.841 1.00 0.00 C ATOM 1008 C LEU A 66 2.483 -1.193 4.199 1.00 0.00 C ATOM 1009 O LEU A 66 2.922 -0.090 3.869 1.00 0.00 O ATOM 1010 CB LEU A 66 0.747 -1.203 2.398 1.00 0.00 C ATOM 1011 CG LEU A 66 1.654 -1.802 1.323 1.00 0.00 C ATOM 1012 CD1 LEU A 66 1.362 -3.284 1.144 1.00 0.00 C ATOM 1013 CD2 LEU A 66 1.483 -1.060 0.006 1.00 0.00 C ATOM 0 H LEU A 66 -0.063 -0.003 4.597 1.00 0.00 H new ATOM 0 HA LEU A 66 0.980 -2.688 3.936 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.282 -1.488 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.800 -0.117 2.325 1.00 0.00 H new ATOM 0 HG LEU A 66 2.689 -1.693 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.017 -3.694 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.537 -3.806 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.323 -3.416 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.136 -1.500 -0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.447 -1.137 -0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.743 -0.010 0.143 1.00 0.00 H new ATOM 1025 N ILE A 67 3.200 -2.085 4.873 1.00 0.00 N ATOM 1026 CA ILE A 67 4.575 -1.815 5.272 1.00 0.00 C ATOM 1027 C ILE A 67 5.558 -2.262 4.196 1.00 0.00 C ATOM 1028 O ILE A 67 5.324 -3.249 3.498 1.00 0.00 O ATOM 1029 CB ILE A 67 4.926 -2.520 6.596 1.00 0.00 C ATOM 1030 CG1 ILE A 67 6.309 -2.082 7.082 1.00 0.00 C ATOM 1031 CG2 ILE A 67 4.873 -4.031 6.422 1.00 0.00 C ATOM 1032 CD1 ILE A 67 7.448 -2.766 6.358 1.00 0.00 C ATOM 0 H ILE A 67 2.851 -3.001 5.154 1.00 0.00 H new ATOM 0 HA ILE A 67 4.657 -0.737 5.410 1.00 0.00 H new ATOM 0 HB ILE A 67 4.191 -2.235 7.348 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.405 -1.004 6.956 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.392 -2.287 8.149 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.123 -4.515 7.366 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.869 -4.327 6.117 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.588 -4.335 5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.398 -2.408 6.754 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.377 -3.844 6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.390 -2.540 5.293 1.00 0.00 H new ATOM 1044 N ILE A 68 6.660 -1.530 4.068 1.00 0.00 N ATOM 1045 CA ILE A 68 7.680 -1.853 3.078 1.00 0.00 C ATOM 1046 C ILE A 68 9.073 -1.839 3.699 1.00 0.00 C ATOM 1047 O ILE A 68 9.634 -0.776 3.963 1.00 0.00 O ATOM 1048 CB ILE A 68 7.648 -0.869 1.894 1.00 0.00 C ATOM 1049 CG1 ILE A 68 6.210 -0.661 1.414 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.523 -1.377 0.759 1.00 0.00 C ATOM 1051 CD1 ILE A 68 6.061 0.472 0.423 1.00 0.00 C ATOM 0 H ILE A 68 6.869 -0.710 4.637 1.00 0.00 H new ATOM 0 HA ILE A 68 7.458 -2.855 2.712 1.00 0.00 H new ATOM 0 HB ILE A 68 8.042 0.091 2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.852 -1.583 0.956 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.573 -0.465 2.276 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.490 -0.670 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.550 -1.478 1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 68 8.157 -2.347 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.016 0.561 0.127 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.388 1.404 0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.671 0.269 -0.457 1.00 0.00 H new ATOM 1063 N GLU A 69 9.625 -3.026 3.929 1.00 0.00 N ATOM 1064 CA GLU A 69 10.953 -3.149 4.518 1.00 0.00 C ATOM 1065 C GLU A 69 12.029 -2.698 3.534 1.00 0.00 C ATOM 1066 O GLU A 69 12.340 -3.400 2.573 1.00 0.00 O ATOM 1067 CB GLU A 69 11.213 -4.594 4.947 1.00 0.00 C ATOM 1068 CG GLU A 69 10.784 -4.892 6.374 1.00 0.00 C ATOM 1069 CD GLU A 69 10.989 -6.346 6.754 1.00 0.00 C ATOM 1070 OE1 GLU A 69 12.156 -6.756 6.923 1.00 0.00 O ATOM 1071 OE2 GLU A 69 9.982 -7.074 6.881 1.00 0.00 O ATOM 0 H GLU A 69 9.173 -3.916 3.717 1.00 0.00 H new ATOM 0 HA GLU A 69 10.994 -2.504 5.396 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.685 -5.266 4.270 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.277 -4.809 4.844 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.348 -4.259 7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.732 -4.634 6.494 1.00 0.00 H new ATOM 1078 N GLY A 70 12.593 -1.520 3.782 1.00 0.00 N ATOM 1079 CA GLY A 70 13.627 -0.994 2.910 1.00 0.00 C ATOM 1080 C GLY A 70 13.057 -0.283 1.698 1.00 0.00 C ATOM 1081 O GLY A 70 12.880 -0.889 0.642 1.00 0.00 O ATOM 0 H GLY A 70 12.352 -0.920 4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.254 -0.302 3.472 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.269 -1.810 2.580 1.00 0.00 H new ATOM 1085 N ALA A 71 12.768 1.005 1.851 1.00 0.00 N ATOM 1086 CA ALA A 71 12.215 1.798 0.761 1.00 0.00 C ATOM 1087 C ALA A 71 13.322 2.464 -0.049 1.00 0.00 C ATOM 1088 O ALA A 71 13.766 3.566 0.275 1.00 0.00 O ATOM 1089 CB ALA A 71 11.253 2.845 1.305 1.00 0.00 C ATOM 0 H ALA A 71 12.908 1.521 2.720 1.00 0.00 H new ATOM 0 HA ALA A 71 11.668 1.128 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.847 3.430 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.438 2.351 1.834 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.784 3.505 1.991 1.00 0.00 H new ATOM 1095 N THR A 72 13.764 1.789 -1.105 1.00 0.00 N ATOM 1096 CA THR A 72 14.821 2.314 -1.961 1.00 0.00 C ATOM 1097 C THR A 72 14.256 3.262 -3.013 1.00 0.00 C ATOM 1098 O THR A 72 13.045 3.472 -3.089 1.00 0.00 O ATOM 1099 CB THR A 72 15.588 1.180 -2.667 1.00 0.00 C ATOM 1100 OG1 THR A 72 14.665 0.249 -3.242 1.00 0.00 O ATOM 1101 CG2 THR A 72 16.504 0.457 -1.691 1.00 0.00 C ATOM 0 H THR A 72 13.406 0.877 -1.388 1.00 0.00 H new ATOM 0 HA THR A 72 15.509 2.860 -1.315 1.00 0.00 H new ATOM 0 HB THR A 72 16.199 1.620 -3.456 1.00 0.00 H new ATOM 0 HG1 THR A 72 15.160 -0.468 -3.690 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.035 -0.339 -2.212 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.224 1.163 -1.277 1.00 0.00 H new ATOM 0 HG23 THR A 72 15.910 0.029 -0.883 1.00 0.00 H new ATOM 1109 N LYS A 73 15.140 3.833 -3.824 1.00 0.00 N ATOM 1110 CA LYS A 73 14.731 4.758 -4.874 1.00 0.00 C ATOM 1111 C LYS A 73 13.691 4.117 -5.788 1.00 0.00 C ATOM 1112 O LYS A 73 12.786 4.790 -6.281 1.00 0.00 O ATOM 1113 CB LYS A 73 15.944 5.199 -5.695 1.00 0.00 C ATOM 1114 CG LYS A 73 16.703 6.363 -5.081 1.00 0.00 C ATOM 1115 CD LYS A 73 17.714 5.887 -4.050 1.00 0.00 C ATOM 1116 CE LYS A 73 18.460 7.054 -3.422 1.00 0.00 C ATOM 1117 NZ LYS A 73 19.826 6.664 -2.977 1.00 0.00 N ATOM 0 H LYS A 73 16.146 3.671 -3.774 1.00 0.00 H new ATOM 0 HA LYS A 73 14.284 5.632 -4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.622 4.353 -5.809 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.613 5.479 -6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 73 17.216 6.919 -5.866 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.999 7.051 -4.612 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.203 5.320 -3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 73 18.426 5.210 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.532 7.869 -4.142 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.894 7.430 -2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 19.931 6.865 -1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 19.969 5.648 -3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 20.534 7.207 -3.512 1.00 0.00 H new ATOM 1131 N ALA A 74 13.826 2.814 -6.008 1.00 0.00 N ATOM 1132 CA ALA A 74 12.896 2.083 -6.859 1.00 0.00 C ATOM 1133 C ALA A 74 11.544 1.911 -6.175 1.00 0.00 C ATOM 1134 O ALA A 74 10.501 1.920 -6.829 1.00 0.00 O ATOM 1135 CB ALA A 74 13.476 0.727 -7.232 1.00 0.00 C ATOM 0 H ALA A 74 14.571 2.243 -5.609 1.00 0.00 H new ATOM 0 HA ALA A 74 12.743 2.664 -7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.771 0.192 -7.868 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.414 0.868 -7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.660 0.148 -6.327 1.00 0.00 H new ATOM 1141 N ASP A 75 11.569 1.755 -4.856 1.00 0.00 N ATOM 1142 CA ASP A 75 10.345 1.581 -4.083 1.00 0.00 C ATOM 1143 C ASP A 75 9.415 2.777 -4.263 1.00 0.00 C ATOM 1144 O ASP A 75 8.195 2.648 -4.164 1.00 0.00 O ATOM 1145 CB ASP A 75 10.674 1.394 -2.601 1.00 0.00 C ATOM 1146 CG ASP A 75 10.905 -0.060 -2.239 1.00 0.00 C ATOM 1147 OD1 ASP A 75 11.626 -0.751 -2.990 1.00 0.00 O ATOM 1148 OD2 ASP A 75 10.366 -0.506 -1.205 1.00 0.00 O ATOM 0 H ASP A 75 12.424 1.745 -4.300 1.00 0.00 H new ATOM 0 HA ASP A 75 9.837 0.689 -4.449 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.564 1.973 -2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.857 1.790 -1.998 1.00 0.00 H new ATOM 1153 N ALA A 76 10.000 3.941 -4.526 1.00 0.00 N ATOM 1154 CA ALA A 76 9.224 5.160 -4.721 1.00 0.00 C ATOM 1155 C ALA A 76 8.329 5.051 -5.951 1.00 0.00 C ATOM 1156 O ALA A 76 8.739 5.392 -7.060 1.00 0.00 O ATOM 1157 CB ALA A 76 10.150 6.361 -4.844 1.00 0.00 C ATOM 0 H ALA A 76 11.009 4.066 -4.609 1.00 0.00 H new ATOM 0 HA ALA A 76 8.584 5.297 -3.850 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.557 7.264 -4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.743 6.458 -3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.815 6.222 -5.697 1.00 0.00 H new ATOM 1163 N ALA A 77 7.107 4.571 -5.747 1.00 0.00 N ATOM 1164 CA ALA A 77 6.154 4.419 -6.839 1.00 0.00 C ATOM 1165 C ALA A 77 4.731 4.703 -6.371 1.00 0.00 C ATOM 1166 O ALA A 77 4.474 4.815 -5.173 1.00 0.00 O ATOM 1167 CB ALA A 77 6.248 3.019 -7.430 1.00 0.00 C ATOM 0 H ALA A 77 6.754 4.281 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 77 6.406 5.146 -7.611 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.531 2.919 -8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.255 2.852 -7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.025 2.282 -6.658 1.00 0.00 H new ATOM 1173 N GLU A 78 3.811 4.820 -7.323 1.00 0.00 N ATOM 1174 CA GLU A 78 2.414 5.093 -7.006 1.00 0.00 C ATOM 1175 C GLU A 78 1.710 3.829 -6.519 1.00 0.00 C ATOM 1176 O GLU A 78 1.370 2.950 -7.311 1.00 0.00 O ATOM 1177 CB GLU A 78 1.690 5.653 -8.232 1.00 0.00 C ATOM 1178 CG GLU A 78 0.198 5.849 -8.021 1.00 0.00 C ATOM 1179 CD GLU A 78 -0.480 6.496 -9.213 1.00 0.00 C ATOM 1180 OE1 GLU A 78 0.074 7.478 -9.751 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -1.564 6.020 -9.608 1.00 0.00 O ATOM 0 H GLU A 78 4.008 4.730 -8.320 1.00 0.00 H new ATOM 0 HA GLU A 78 2.387 5.834 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.139 6.609 -8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.844 4.978 -9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.267 4.883 -7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.038 6.467 -7.137 1.00 0.00 H new ATOM 1188 N TYR A 79 1.495 3.747 -5.211 1.00 0.00 N ATOM 1189 CA TYR A 79 0.835 2.591 -4.616 1.00 0.00 C ATOM 1190 C TYR A 79 -0.676 2.794 -4.564 1.00 0.00 C ATOM 1191 O TYR A 79 -1.175 3.634 -3.815 1.00 0.00 O ATOM 1192 CB TYR A 79 1.376 2.336 -3.208 1.00 0.00 C ATOM 1193 CG TYR A 79 2.810 1.859 -3.188 1.00 0.00 C ATOM 1194 CD1 TYR A 79 3.864 2.762 -3.242 1.00 0.00 C ATOM 1195 CD2 TYR A 79 3.111 0.504 -3.115 1.00 0.00 C ATOM 1196 CE1 TYR A 79 5.176 2.331 -3.225 1.00 0.00 C ATOM 1197 CE2 TYR A 79 4.421 0.064 -3.095 1.00 0.00 C ATOM 1198 CZ TYR A 79 5.450 0.981 -3.151 1.00 0.00 C ATOM 1199 OH TYR A 79 6.755 0.546 -3.133 1.00 0.00 O ATOM 0 H TYR A 79 1.768 4.467 -4.542 1.00 0.00 H new ATOM 0 HA TYR A 79 1.046 1.723 -5.241 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.299 3.255 -2.626 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.748 1.594 -2.715 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.654 3.820 -3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.308 -0.217 -3.073 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.983 3.047 -3.269 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.638 -0.992 -3.036 1.00 0.00 H new ATOM 0 HH TYR A 79 7.352 1.295 -3.339 1.00 0.00 H new ATOM 1209 N SER A 80 -1.400 2.017 -5.364 1.00 0.00 N ATOM 1210 CA SER A 80 -2.854 2.113 -5.413 1.00 0.00 C ATOM 1211 C SER A 80 -3.500 0.820 -4.926 1.00 0.00 C ATOM 1212 O SER A 80 -3.052 -0.277 -5.264 1.00 0.00 O ATOM 1213 CB SER A 80 -3.319 2.425 -6.837 1.00 0.00 C ATOM 1214 OG SER A 80 -2.766 3.645 -7.298 1.00 0.00 O ATOM 0 H SER A 80 -1.003 1.314 -5.987 1.00 0.00 H new ATOM 0 HA SER A 80 -3.162 2.924 -4.753 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.026 1.614 -7.504 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.407 2.482 -6.863 1.00 0.00 H new ATOM 0 HG SER A 80 -3.077 3.821 -8.211 1.00 0.00 H new ATOM 1220 N VAL A 81 -4.556 0.956 -4.130 1.00 0.00 N ATOM 1221 CA VAL A 81 -5.265 -0.201 -3.597 1.00 0.00 C ATOM 1222 C VAL A 81 -6.562 -0.450 -4.360 1.00 0.00 C ATOM 1223 O VAL A 81 -7.080 0.442 -5.031 1.00 0.00 O ATOM 1224 CB VAL A 81 -5.589 -0.021 -2.102 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -4.385 0.536 -1.358 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -6.800 0.882 -1.925 1.00 0.00 C ATOM 0 H VAL A 81 -4.939 1.856 -3.840 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.605 -1.060 -3.717 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.827 -0.997 -1.679 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.633 0.656 -0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.546 -0.152 -1.457 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.113 1.504 -1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.015 0.998 -0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.593 1.859 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.662 0.437 -2.423 1.00 0.00 H new ATOM 1236 N MET A 82 -7.080 -1.669 -4.252 1.00 0.00 N ATOM 1237 CA MET A 82 -8.318 -2.035 -4.931 1.00 0.00 C ATOM 1238 C MET A 82 -9.163 -2.959 -4.060 1.00 0.00 C ATOM 1239 O MET A 82 -8.781 -4.099 -3.792 1.00 0.00 O ATOM 1240 CB MET A 82 -8.010 -2.715 -6.266 1.00 0.00 C ATOM 1241 CG MET A 82 -9.081 -2.493 -7.322 1.00 0.00 C ATOM 1242 SD MET A 82 -8.984 -3.685 -8.672 1.00 0.00 S ATOM 1243 CE MET A 82 -9.174 -5.225 -7.778 1.00 0.00 C ATOM 0 H MET A 82 -6.663 -2.419 -3.702 1.00 0.00 H new ATOM 0 HA MET A 82 -8.884 -1.123 -5.118 1.00 0.00 H new ATOM 0 HB2 MET A 82 -7.057 -2.343 -6.643 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.891 -3.786 -6.100 1.00 0.00 H new ATOM 0 HG2 MET A 82 -10.064 -2.557 -6.856 1.00 0.00 H new ATOM 0 HG3 MET A 82 -8.985 -1.485 -7.725 1.00 0.00 H new ATOM 0 HE1 MET A 82 -9.655 -5.962 -8.421 1.00 0.00 H new ATOM 0 HE2 MET A 82 -8.194 -5.593 -7.475 1.00 0.00 H new ATOM 0 HE3 MET A 82 -9.789 -5.059 -6.894 1.00 0.00 H new ATOM 1253 N THR A 83 -10.314 -2.461 -3.619 1.00 0.00 N ATOM 1254 CA THR A 83 -11.212 -3.241 -2.777 1.00 0.00 C ATOM 1255 C THR A 83 -12.381 -3.795 -3.584 1.00 0.00 C ATOM 1256 O THR A 83 -12.444 -3.625 -4.803 1.00 0.00 O ATOM 1257 CB THR A 83 -11.762 -2.398 -1.611 1.00 0.00 C ATOM 1258 OG1 THR A 83 -12.505 -1.284 -2.119 1.00 0.00 O ATOM 1259 CG2 THR A 83 -10.632 -1.899 -0.724 1.00 0.00 C ATOM 0 H THR A 83 -10.646 -1.520 -3.831 1.00 0.00 H new ATOM 0 HA THR A 83 -10.628 -4.068 -2.374 1.00 0.00 H new ATOM 0 HB THR A 83 -12.419 -3.030 -1.014 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.355 -1.211 -1.637 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.045 -1.306 0.092 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.087 -2.750 -0.315 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.953 -1.282 -1.313 1.00 0.00 H new ATOM 1267 N THR A 84 -13.306 -4.458 -2.899 1.00 0.00 N ATOM 1268 CA THR A 84 -14.473 -5.038 -3.552 1.00 0.00 C ATOM 1269 C THR A 84 -15.311 -3.963 -4.235 1.00 0.00 C ATOM 1270 O THR A 84 -16.047 -4.243 -5.180 1.00 0.00 O ATOM 1271 CB THR A 84 -15.357 -5.802 -2.549 1.00 0.00 C ATOM 1272 OG1 THR A 84 -15.812 -4.914 -1.522 1.00 0.00 O ATOM 1273 CG2 THR A 84 -14.592 -6.959 -1.925 1.00 0.00 C ATOM 0 H THR A 84 -13.270 -4.607 -1.891 1.00 0.00 H new ATOM 0 HA THR A 84 -14.101 -5.736 -4.302 1.00 0.00 H new ATOM 0 HB THR A 84 -16.215 -6.204 -3.087 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.655 -5.248 -1.151 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.237 -7.484 -1.220 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.273 -7.648 -2.707 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.717 -6.576 -1.400 1.00 0.00 H new ATOM 1281 N GLY A 85 -15.193 -2.730 -3.751 1.00 0.00 N ATOM 1282 CA GLY A 85 -15.945 -1.631 -4.328 1.00 0.00 C ATOM 1283 C GLY A 85 -15.299 -0.286 -4.066 1.00 0.00 C ATOM 1284 O GLY A 85 -15.975 0.675 -3.701 1.00 0.00 O ATOM 0 H GLY A 85 -14.590 -2.473 -2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.037 -1.783 -5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.955 -1.631 -3.918 1.00 0.00 H new ATOM 1288 N GLY A 86 -13.984 -0.216 -4.251 1.00 0.00 N ATOM 1289 CA GLY A 86 -13.268 1.026 -4.026 1.00 0.00 C ATOM 1290 C GLY A 86 -11.831 0.961 -4.503 1.00 0.00 C ATOM 1291 O GLY A 86 -11.295 -0.123 -4.732 1.00 0.00 O ATOM 0 H GLY A 86 -13.402 -0.997 -4.553 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.782 1.837 -4.542 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.284 1.264 -2.962 1.00 0.00 H new ATOM 1295 N GLN A 87 -11.206 2.125 -4.655 1.00 0.00 N ATOM 1296 CA GLN A 87 -9.823 2.195 -5.111 1.00 0.00 C ATOM 1297 C GLN A 87 -9.156 3.479 -4.629 1.00 0.00 C ATOM 1298 O GLN A 87 -9.802 4.520 -4.510 1.00 0.00 O ATOM 1299 CB GLN A 87 -9.762 2.117 -6.637 1.00 0.00 C ATOM 1300 CG GLN A 87 -10.375 3.321 -7.334 1.00 0.00 C ATOM 1301 CD GLN A 87 -9.800 3.551 -8.717 1.00 0.00 C ATOM 1302 OE1 GLN A 87 -10.172 2.875 -9.677 1.00 0.00 O ATOM 1303 NE2 GLN A 87 -8.887 4.509 -8.827 1.00 0.00 N ATOM 0 H GLN A 87 -11.635 3.031 -4.469 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.284 1.346 -4.689 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -8.721 2.020 -6.946 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.278 1.215 -6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -11.453 3.181 -7.412 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.212 4.210 -6.725 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.608 5.045 -8.005 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.464 4.709 -9.734 1.00 0.00 H new ATOM 1312 N SER A 88 -7.858 3.398 -4.353 1.00 0.00 N ATOM 1313 CA SER A 88 -7.104 4.553 -3.880 1.00 0.00 C ATOM 1314 C SER A 88 -5.714 4.589 -4.509 1.00 0.00 C ATOM 1315 O SER A 88 -5.236 3.588 -5.042 1.00 0.00 O ATOM 1316 CB SER A 88 -6.984 4.521 -2.355 1.00 0.00 C ATOM 1317 OG SER A 88 -6.553 5.773 -1.850 1.00 0.00 O ATOM 0 H SER A 88 -7.307 2.545 -4.449 1.00 0.00 H new ATOM 0 HA SER A 88 -7.642 5.453 -4.177 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.948 4.261 -1.917 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.279 3.744 -2.059 1.00 0.00 H new ATOM 0 HG SER A 88 -7.308 6.397 -1.835 1.00 0.00 H new ATOM 1323 N SER A 89 -5.072 5.751 -4.443 1.00 0.00 N ATOM 1324 CA SER A 89 -3.739 5.921 -5.010 1.00 0.00 C ATOM 1325 C SER A 89 -2.929 6.929 -4.200 1.00 0.00 C ATOM 1326 O SER A 89 -3.462 7.931 -3.725 1.00 0.00 O ATOM 1327 CB SER A 89 -3.835 6.379 -6.466 1.00 0.00 C ATOM 1328 OG SER A 89 -4.681 7.509 -6.590 1.00 0.00 O ATOM 0 H SER A 89 -5.453 6.588 -4.003 1.00 0.00 H new ATOM 0 HA SER A 89 -3.230 4.958 -4.973 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.841 6.622 -6.840 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.217 5.565 -7.082 1.00 0.00 H new ATOM 0 HG SER A 89 -4.725 7.784 -7.530 1.00 0.00 H new ATOM 1334 N ALA A 90 -1.638 6.654 -4.047 1.00 0.00 N ATOM 1335 CA ALA A 90 -0.753 7.537 -3.297 1.00 0.00 C ATOM 1336 C ALA A 90 0.616 7.635 -3.962 1.00 0.00 C ATOM 1337 O ALA A 90 0.991 6.780 -4.764 1.00 0.00 O ATOM 1338 CB ALA A 90 -0.612 7.048 -1.863 1.00 0.00 C ATOM 0 H ALA A 90 -1.182 5.827 -4.432 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.195 8.533 -3.288 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.051 7.716 -1.314 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.591 7.036 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.195 6.041 -1.861 1.00 0.00 H new ATOM 1344 N LYS A 91 1.359 8.684 -3.623 1.00 0.00 N ATOM 1345 CA LYS A 91 2.687 8.895 -4.186 1.00 0.00 C ATOM 1346 C LYS A 91 3.759 8.786 -3.106 1.00 0.00 C ATOM 1347 O LYS A 91 3.768 9.557 -2.146 1.00 0.00 O ATOM 1348 CB LYS A 91 2.765 10.266 -4.861 1.00 0.00 C ATOM 1349 CG LYS A 91 2.009 10.340 -6.176 1.00 0.00 C ATOM 1350 CD LYS A 91 2.454 11.530 -7.009 1.00 0.00 C ATOM 1351 CE LYS A 91 1.592 11.695 -8.252 1.00 0.00 C ATOM 1352 NZ LYS A 91 1.651 13.083 -8.788 1.00 0.00 N ATOM 0 H LYS A 91 1.063 9.401 -2.961 1.00 0.00 H new ATOM 0 HA LYS A 91 2.866 8.120 -4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.369 11.020 -4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.811 10.515 -5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.167 9.421 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.940 10.413 -5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.402 12.437 -6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.496 11.401 -7.302 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.923 10.995 -9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.559 11.441 -8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.051 13.154 -9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.311 13.749 -8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.633 13.317 -9.039 1.00 0.00 H new ATOM 1366 N LEU A 92 4.663 7.826 -3.270 1.00 0.00 N ATOM 1367 CA LEU A 92 5.741 7.618 -2.310 1.00 0.00 C ATOM 1368 C LEU A 92 7.083 8.042 -2.898 1.00 0.00 C ATOM 1369 O LEU A 92 7.525 7.503 -3.914 1.00 0.00 O ATOM 1370 CB LEU A 92 5.797 6.149 -1.887 1.00 0.00 C ATOM 1371 CG LEU A 92 6.842 5.795 -0.828 1.00 0.00 C ATOM 1372 CD1 LEU A 92 6.485 6.432 0.506 1.00 0.00 C ATOM 1373 CD2 LEU A 92 6.965 4.285 -0.685 1.00 0.00 C ATOM 0 H LEU A 92 4.671 7.180 -4.059 1.00 0.00 H new ATOM 0 HA LEU A 92 5.539 8.234 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.815 5.863 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 92 5.987 5.543 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 92 7.806 6.189 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.239 6.170 1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.448 7.516 0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.511 6.068 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.713 4.051 0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.003 3.868 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.267 3.853 -1.639 1.00 0.00 H new ATOM 1385 N SER A 93 7.728 9.008 -2.253 1.00 0.00 N ATOM 1386 CA SER A 93 9.020 9.505 -2.712 1.00 0.00 C ATOM 1387 C SER A 93 10.129 9.114 -1.741 1.00 0.00 C ATOM 1388 O SER A 93 9.957 9.183 -0.524 1.00 0.00 O ATOM 1389 CB SER A 93 8.977 11.026 -2.872 1.00 0.00 C ATOM 1390 OG SER A 93 8.362 11.394 -4.094 1.00 0.00 O ATOM 0 H SER A 93 7.377 9.463 -1.410 1.00 0.00 H new ATOM 0 HA SER A 93 9.233 9.051 -3.680 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.430 11.467 -2.039 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.990 11.427 -2.836 1.00 0.00 H new ATOM 0 HG SER A 93 8.346 12.371 -4.171 1.00 0.00 H new ATOM 1396 N VAL A 94 11.269 8.704 -2.288 1.00 0.00 N ATOM 1397 CA VAL A 94 12.408 8.304 -1.471 1.00 0.00 C ATOM 1398 C VAL A 94 13.584 9.256 -1.662 1.00 0.00 C ATOM 1399 O VAL A 94 13.965 9.568 -2.790 1.00 0.00 O ATOM 1400 CB VAL A 94 12.863 6.871 -1.806 1.00 0.00 C ATOM 1401 CG1 VAL A 94 14.119 6.513 -1.027 1.00 0.00 C ATOM 1402 CG2 VAL A 94 11.747 5.877 -1.519 1.00 0.00 C ATOM 0 H VAL A 94 11.428 8.640 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 94 12.080 8.340 -0.432 1.00 0.00 H new ATOM 0 HB VAL A 94 13.098 6.823 -2.869 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.425 5.497 -1.277 1.00 0.00 H new ATOM 0 HG12 VAL A 94 14.918 7.207 -1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.915 6.578 0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 94 12.086 4.870 -1.761 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.479 5.926 -0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.876 6.123 -2.126 1.00 0.00 H new ATOM 1412 N ASP A 95 14.154 9.713 -0.553 1.00 0.00 N ATOM 1413 CA ASP A 95 15.288 10.628 -0.598 1.00 0.00 C ATOM 1414 C ASP A 95 16.412 10.146 0.314 1.00 0.00 C ATOM 1415 O ASP A 95 16.219 9.249 1.134 1.00 0.00 O ATOM 1416 CB ASP A 95 14.851 12.036 -0.189 1.00 0.00 C ATOM 1417 CG ASP A 95 14.391 12.866 -1.371 1.00 0.00 C ATOM 1418 OD1 ASP A 95 13.866 12.278 -2.340 1.00 0.00 O ATOM 1419 OD2 ASP A 95 14.557 14.103 -1.329 1.00 0.00 O ATOM 0 H ASP A 95 13.849 9.465 0.388 1.00 0.00 H new ATOM 0 HA ASP A 95 15.661 10.655 -1.622 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.042 11.965 0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.681 12.542 0.305 1.00 0.00 H new ATOM 1424 N LEU A 96 17.587 10.748 0.164 1.00 0.00 N ATOM 1425 CA LEU A 96 18.744 10.379 0.973 1.00 0.00 C ATOM 1426 C LEU A 96 18.892 11.314 2.169 1.00 0.00 C ATOM 1427 O LEU A 96 18.991 12.531 2.011 1.00 0.00 O ATOM 1428 CB LEU A 96 20.016 10.413 0.124 1.00 0.00 C ATOM 1429 CG LEU A 96 20.027 9.506 -1.106 1.00 0.00 C ATOM 1430 CD1 LEU A 96 19.487 10.247 -2.320 1.00 0.00 C ATOM 1431 CD2 LEU A 96 21.432 8.988 -1.376 1.00 0.00 C ATOM 0 H LEU A 96 17.764 11.493 -0.510 1.00 0.00 H new ATOM 0 HA LEU A 96 18.589 9.366 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 96 20.182 11.439 -0.205 1.00 0.00 H new ATOM 0 HB3 LEU A 96 20.860 10.141 0.759 1.00 0.00 H new ATOM 0 HG LEU A 96 19.379 8.652 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 96 19.502 9.586 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 96 18.463 10.567 -2.125 1.00 0.00 H new ATOM 0 HD13 LEU A 96 20.108 11.120 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 96 21.420 8.344 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 96 22.102 9.829 -1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 96 21.782 8.419 -0.515 1.00 0.00 H new ATOM 1443 N LYS A 97 18.908 10.737 3.366 1.00 0.00 N ATOM 1444 CA LYS A 97 19.047 11.517 4.590 1.00 0.00 C ATOM 1445 C LYS A 97 20.324 12.351 4.561 1.00 0.00 C ATOM 1446 O LYS A 97 21.363 11.896 4.083 1.00 0.00 O ATOM 1447 CB LYS A 97 19.056 10.593 5.810 1.00 0.00 C ATOM 1448 CG LYS A 97 18.646 11.284 7.099 1.00 0.00 C ATOM 1449 CD LYS A 97 18.788 10.359 8.296 1.00 0.00 C ATOM 1450 CE LYS A 97 18.033 10.893 9.504 1.00 0.00 C ATOM 1451 NZ LYS A 97 18.339 10.115 10.737 1.00 0.00 N ATOM 0 H LYS A 97 18.826 9.731 3.514 1.00 0.00 H new ATOM 0 HA LYS A 97 18.194 12.192 4.660 1.00 0.00 H new ATOM 0 HB2 LYS A 97 18.383 9.756 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 97 20.056 10.177 5.933 1.00 0.00 H new ATOM 0 HG2 LYS A 97 19.261 12.172 7.249 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.613 11.622 7.019 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.412 9.369 8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 97 19.843 10.244 8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 97 18.293 11.940 9.661 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.961 10.856 9.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.805 10.510 11.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.068 9.121 10.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 19.358 10.171 10.939 1.00 0.00 H new ATOM 1465 N SER A 98 20.240 13.573 5.078 1.00 0.00 N ATOM 1466 CA SER A 98 21.388 14.470 5.109 1.00 0.00 C ATOM 1467 C SER A 98 22.103 14.391 6.455 1.00 0.00 C ATOM 1468 O SER A 98 21.668 14.989 7.438 1.00 0.00 O ATOM 1469 CB SER A 98 20.945 15.910 4.839 1.00 0.00 C ATOM 1470 OG SER A 98 22.047 16.721 4.470 1.00 0.00 O ATOM 0 H SER A 98 19.388 13.964 5.481 1.00 0.00 H new ATOM 0 HA SER A 98 22.082 14.158 4.329 1.00 0.00 H new ATOM 0 HB2 SER A 98 20.199 15.921 4.045 1.00 0.00 H new ATOM 0 HB3 SER A 98 20.469 16.321 5.730 1.00 0.00 H new ATOM 0 HG SER A 98 21.738 17.636 4.301 1.00 0.00 H new ATOM 1476 N GLY A 99 23.205 13.647 6.490 1.00 0.00 N ATOM 1477 CA GLY A 99 23.963 13.501 7.718 1.00 0.00 C ATOM 1478 C GLY A 99 25.141 12.559 7.565 1.00 0.00 C ATOM 1479 O GLY A 99 25.061 11.374 7.887 1.00 0.00 O ATOM 0 H GLY A 99 23.586 13.143 5.689 1.00 0.00 H new ATOM 0 HA2 GLY A 99 24.323 14.479 8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 99 23.306 13.131 8.505 1.00 0.00 H new ATOM 1483 N PRO A 100 26.265 13.089 7.060 1.00 0.00 N ATOM 1484 CA PRO A 100 27.486 12.304 6.851 1.00 0.00 C ATOM 1485 C PRO A 100 28.148 11.902 8.165 1.00 0.00 C ATOM 1486 O PRO A 100 29.147 11.183 8.173 1.00 0.00 O ATOM 1487 CB PRO A 100 28.390 13.256 6.066 1.00 0.00 C ATOM 1488 CG PRO A 100 27.914 14.619 6.432 1.00 0.00 C ATOM 1489 CD PRO A 100 26.432 14.494 6.654 1.00 0.00 C ATOM 0 HA PRO A 100 27.284 11.365 6.336 1.00 0.00 H new ATOM 0 HB2 PRO A 100 29.438 13.118 6.333 1.00 0.00 H new ATOM 0 HB3 PRO A 100 28.309 13.084 4.993 1.00 0.00 H new ATOM 0 HG2 PRO A 100 28.414 14.979 7.331 1.00 0.00 H new ATOM 0 HG3 PRO A 100 28.131 15.334 5.639 1.00 0.00 H new ATOM 0 HD2 PRO A 100 26.082 15.180 7.426 1.00 0.00 H new ATOM 0 HD3 PRO A 100 25.870 14.720 5.748 1.00 0.00 H new ATOM 1497 N SER A 101 27.585 12.371 9.274 1.00 0.00 N ATOM 1498 CA SER A 101 28.123 12.063 10.594 1.00 0.00 C ATOM 1499 C SER A 101 27.406 10.864 11.207 1.00 0.00 C ATOM 1500 O SER A 101 26.425 10.365 10.656 1.00 0.00 O ATOM 1501 CB SER A 101 27.993 13.276 11.517 1.00 0.00 C ATOM 1502 OG SER A 101 28.988 13.259 12.525 1.00 0.00 O ATOM 0 H SER A 101 26.756 12.966 9.285 1.00 0.00 H new ATOM 0 HA SER A 101 29.178 11.814 10.480 1.00 0.00 H new ATOM 0 HB2 SER A 101 28.079 14.192 10.933 1.00 0.00 H new ATOM 0 HB3 SER A 101 27.005 13.282 11.977 1.00 0.00 H new ATOM 0 HG SER A 101 28.884 14.045 13.100 1.00 0.00 H new ATOM 1508 N SER A 102 27.904 10.406 12.351 1.00 0.00 N ATOM 1509 CA SER A 102 27.315 9.263 13.038 1.00 0.00 C ATOM 1510 C SER A 102 25.892 9.576 13.491 1.00 0.00 C ATOM 1511 O SER A 102 24.961 8.819 13.218 1.00 0.00 O ATOM 1512 CB SER A 102 28.171 8.869 14.244 1.00 0.00 C ATOM 1513 OG SER A 102 29.521 8.666 13.866 1.00 0.00 O ATOM 0 H SER A 102 28.714 10.809 12.822 1.00 0.00 H new ATOM 0 HA SER A 102 27.280 8.428 12.338 1.00 0.00 H new ATOM 0 HB2 SER A 102 28.116 9.649 15.003 1.00 0.00 H new ATOM 0 HB3 SER A 102 27.775 7.958 14.693 1.00 0.00 H new ATOM 0 HG SER A 102 30.047 8.417 14.654 1.00 0.00 H new ATOM 1519 N GLY A 103 25.732 10.698 14.186 1.00 0.00 N ATOM 1520 CA GLY A 103 24.420 11.093 14.666 1.00 0.00 C ATOM 1521 C GLY A 103 24.448 11.564 16.107 1.00 0.00 C ATOM 1522 O GLY A 103 24.543 12.762 16.373 1.00 0.00 O ATOM 0 H GLY A 103 26.487 11.341 14.425 1.00 0.00 H new ATOM 0 HA2 GLY A 103 24.030 11.891 14.034 1.00 0.00 H new ATOM 0 HA3 GLY A 103 23.734 10.250 14.575 1.00 0.00 H new TER 1526 GLY A 103