USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=35 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 75 ASN : amide:sc= 0.368 K(o=1.3,f=-4.1!) USER MOD Set 1.2: A 90 SER OG : rot 92:sc= 0.911 USER MOD Set 2.1: A 18 THR OG1 : rot 21:sc= 1.43 USER MOD Set 2.2: A 21 SER OG : rot 99:sc= 0.598 USER MOD Set 2.3: A 62 ASN :FLIP amide:sc= 0.656 F(o=1.4!,f=2.7) USER MOD Set 3.1: A 40 TYR OH : rot 115:sc= 0.899 USER MOD Set 3.2: A 50 GLN : amide:sc= -0.406 K(o=0.49,f=-8.5!) USER MOD Set 4.1: A 30 SER OG : rot 47:sc= 0.823 USER MOD Set 4.2: A 78 GLN :FLIP amide:sc= -4.54! C(o=-6.8!,f=-3.7!) USER MOD Single : A 1 GLY N :NH3+ -171:sc= 0 (180deg=-0.0333) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HE2:sc= -1.28 K(o=-1.3,f=-2.6!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.491! USER MOD Single : A 13 SER OG : rot 180:sc= -0.0563 USER MOD Single : A 15 THR OG1 : rot -25:sc= 1.15 USER MOD Single : A 20 SER OG : rot 48:sc= -4.21! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.021 USER MOD Single : A 34 SER OG : rot -110:sc= -1.31 USER MOD Single : A 43 SER OG : rot 110:sc= -1.46 USER MOD Single : A 51 TYR OH : rot 53:sc= 0.652 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00963 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0.455 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -23:sc= -4.42! USER MOD Single : A 85 GLN :FLIP amide:sc= -1.37 F(o=-8.7!,f=-1.4) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -170:sc= 0 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0811 F(o=-3!,f=-0.081) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -16:sc= -1.49! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.679 -12.173 -34.227 1.00 0.00 N ATOM 2 CA GLY A 1 2.304 -10.729 -34.171 1.00 0.00 C ATOM 3 C GLY A 1 2.321 -10.257 -32.721 1.00 0.00 C ATOM 4 O GLY A 1 1.309 -10.317 -32.023 1.00 0.00 O ATOM 0 H1 GLY A 1 2.817 -12.458 -35.218 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.561 -12.323 -33.698 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.920 -12.745 -33.805 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.000 -10.138 -34.766 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.313 -10.582 -34.601 1.00 0.00 H new ATOM 10 N PRO A 2 3.457 -9.810 -32.263 1.00 0.00 N ATOM 11 CA PRO A 2 3.647 -9.328 -30.868 1.00 0.00 C ATOM 12 C PRO A 2 3.340 -7.845 -30.679 1.00 0.00 C ATOM 13 O PRO A 2 3.302 -7.359 -29.550 1.00 0.00 O ATOM 14 CB PRO A 2 5.132 -9.590 -30.635 1.00 0.00 C ATOM 15 CG PRO A 2 5.771 -9.400 -31.976 1.00 0.00 C ATOM 16 CD PRO A 2 4.705 -9.719 -33.032 1.00 0.00 C ATOM 0 HA PRO A 2 2.971 -9.828 -30.174 1.00 0.00 H new ATOM 0 HB2 PRO A 2 5.544 -8.900 -29.899 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.301 -10.598 -30.256 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.132 -8.378 -32.089 1.00 0.00 H new ATOM 0 HG3 PRO A 2 6.633 -10.057 -32.088 1.00 0.00 H new ATOM 0 HD2 PRO A 2 4.650 -8.939 -33.791 1.00 0.00 H new ATOM 0 HD3 PRO A 2 4.923 -10.653 -33.550 1.00 0.00 H new ATOM 24 N LEU A 3 3.143 -7.121 -31.776 1.00 0.00 N ATOM 25 CA LEU A 3 2.871 -5.690 -31.676 1.00 0.00 C ATOM 26 C LEU A 3 1.609 -5.426 -30.855 1.00 0.00 C ATOM 27 O LEU A 3 1.539 -4.449 -30.109 1.00 0.00 O ATOM 28 CB LEU A 3 2.711 -5.075 -33.069 1.00 0.00 C ATOM 29 CG LEU A 3 3.889 -5.474 -33.965 1.00 0.00 C ATOM 30 CD1 LEU A 3 3.773 -4.741 -35.302 1.00 0.00 C ATOM 31 CD2 LEU A 3 5.215 -5.092 -33.298 1.00 0.00 C ATOM 0 H LEU A 3 3.165 -7.491 -32.726 1.00 0.00 H new ATOM 0 HA LEU A 3 3.720 -5.227 -31.173 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.775 -5.410 -33.516 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.656 -3.989 -32.991 1.00 0.00 H new ATOM 0 HG LEU A 3 3.866 -6.552 -34.123 1.00 0.00 H new ATOM 0 HD11 LEU A 3 4.608 -5.021 -35.944 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.836 -5.014 -35.787 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.792 -3.665 -35.130 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.044 -5.381 -33.944 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.242 -4.015 -33.132 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.303 -5.608 -32.342 1.00 0.00 H new ATOM 43 N GLY A 4 0.615 -6.299 -30.991 1.00 0.00 N ATOM 44 CA GLY A 4 -0.633 -6.138 -30.249 1.00 0.00 C ATOM 45 C GLY A 4 -0.749 -7.190 -29.151 1.00 0.00 C ATOM 46 O GLY A 4 0.236 -7.525 -28.492 1.00 0.00 O ATOM 0 H GLY A 4 0.647 -7.116 -31.600 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.674 -5.141 -29.810 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.480 -6.222 -30.930 1.00 0.00 H new ATOM 50 N SER A 5 -1.956 -7.711 -28.960 1.00 0.00 N ATOM 51 CA SER A 5 -2.186 -8.728 -27.940 1.00 0.00 C ATOM 52 C SER A 5 -1.334 -8.453 -26.703 1.00 0.00 C ATOM 53 O SER A 5 -0.918 -7.319 -26.465 1.00 0.00 O ATOM 54 CB SER A 5 -1.846 -10.110 -28.500 1.00 0.00 C ATOM 55 OG SER A 5 -2.493 -10.279 -29.755 1.00 0.00 O ATOM 0 H SER A 5 -2.785 -7.449 -29.494 1.00 0.00 H new ATOM 0 HA SER A 5 -3.237 -8.699 -27.654 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.767 -10.213 -28.617 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.167 -10.886 -27.805 1.00 0.00 H new ATOM 0 HG SER A 5 -2.276 -11.163 -30.118 1.00 0.00 H new ATOM 61 N HIS A 6 -1.086 -9.493 -25.913 1.00 0.00 N ATOM 62 CA HIS A 6 -0.288 -9.339 -24.701 1.00 0.00 C ATOM 63 C HIS A 6 -0.962 -8.352 -23.753 1.00 0.00 C ATOM 64 O HIS A 6 -0.317 -7.463 -23.201 1.00 0.00 O ATOM 65 CB HIS A 6 1.115 -8.844 -25.054 1.00 0.00 C ATOM 66 CG HIS A 6 1.712 -9.746 -26.099 1.00 0.00 C ATOM 67 ND1 HIS A 6 1.935 -11.094 -25.868 1.00 0.00 N ATOM 68 CD2 HIS A 6 2.135 -9.512 -27.385 1.00 0.00 C ATOM 69 CE1 HIS A 6 2.468 -11.615 -26.987 1.00 0.00 C ATOM 70 NE2 HIS A 6 2.611 -10.694 -27.942 1.00 0.00 N ATOM 0 H HIS A 6 -1.421 -10.441 -26.087 1.00 0.00 H new ATOM 0 HA HIS A 6 -0.208 -10.308 -24.208 1.00 0.00 H new ATOM 0 HB2 HIS A 6 1.069 -7.820 -25.424 1.00 0.00 H new ATOM 0 HB3 HIS A 6 1.744 -8.833 -24.164 1.00 0.00 H new ATOM 0 HD1 HIS A 6 1.732 -11.599 -25.006 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.103 -8.556 -27.887 1.00 0.00 H new ATOM 0 HE1 HIS A 6 2.746 -12.652 -27.099 1.00 0.00 H new ATOM 79 N LEU A 7 -2.269 -8.517 -23.583 1.00 0.00 N ATOM 80 CA LEU A 7 -3.039 -7.635 -22.715 1.00 0.00 C ATOM 81 C LEU A 7 -2.430 -7.554 -21.319 1.00 0.00 C ATOM 82 O LEU A 7 -2.433 -6.492 -20.696 1.00 0.00 O ATOM 83 CB LEU A 7 -4.480 -8.140 -22.612 1.00 0.00 C ATOM 84 CG LEU A 7 -5.324 -7.126 -21.837 1.00 0.00 C ATOM 85 CD1 LEU A 7 -6.742 -7.103 -22.407 1.00 0.00 C ATOM 86 CD2 LEU A 7 -5.380 -7.531 -20.361 1.00 0.00 C ATOM 0 H LEU A 7 -2.816 -9.251 -24.033 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.023 -6.637 -23.153 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.896 -8.289 -23.608 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.502 -9.107 -22.109 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.876 -6.136 -21.928 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.344 -6.381 -21.856 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.707 -6.818 -23.459 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.188 -8.093 -22.314 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.981 -6.809 -19.808 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.828 -8.520 -20.272 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.370 -7.552 -19.951 1.00 0.00 H new ATOM 98 N VAL A 8 -1.920 -8.675 -20.826 1.00 0.00 N ATOM 99 CA VAL A 8 -1.327 -8.697 -19.492 1.00 0.00 C ATOM 100 C VAL A 8 -0.035 -9.510 -19.467 1.00 0.00 C ATOM 101 O VAL A 8 0.946 -9.104 -18.844 1.00 0.00 O ATOM 102 CB VAL A 8 -2.325 -9.284 -18.490 1.00 0.00 C ATOM 103 CG1 VAL A 8 -2.426 -10.797 -18.686 1.00 0.00 C ATOM 104 CG2 VAL A 8 -1.854 -8.987 -17.066 1.00 0.00 C ATOM 0 H VAL A 8 -1.903 -9.568 -21.319 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.086 -7.671 -19.215 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.304 -8.833 -18.653 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.137 -11.210 -17.971 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.765 -11.011 -19.700 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.448 -11.251 -18.528 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.565 -9.405 -16.353 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.873 -9.435 -16.906 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.788 -7.909 -16.922 1.00 0.00 H new ATOM 114 N ALA A 9 -0.037 -10.658 -20.138 1.00 0.00 N ATOM 115 CA ALA A 9 1.149 -11.508 -20.166 1.00 0.00 C ATOM 116 C ALA A 9 2.319 -10.783 -20.818 1.00 0.00 C ATOM 117 O ALA A 9 2.136 -9.955 -21.712 1.00 0.00 O ATOM 118 CB ALA A 9 0.859 -12.802 -20.926 1.00 0.00 C ATOM 0 H ALA A 9 -0.834 -11.018 -20.663 1.00 0.00 H new ATOM 0 HA ALA A 9 1.415 -11.749 -19.137 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.753 -13.425 -20.938 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.049 -13.340 -20.433 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.568 -12.565 -21.949 1.00 0.00 H new ATOM 124 N THR A 10 3.523 -11.099 -20.357 1.00 0.00 N ATOM 125 CA THR A 10 4.731 -10.478 -20.885 1.00 0.00 C ATOM 126 C THR A 10 5.901 -10.778 -19.961 1.00 0.00 C ATOM 127 O THR A 10 7.040 -10.939 -20.398 1.00 0.00 O ATOM 128 CB THR A 10 4.535 -8.965 -20.989 1.00 0.00 C ATOM 129 OG1 THR A 10 5.801 -8.322 -20.971 1.00 0.00 O ATOM 130 CG2 THR A 10 3.695 -8.482 -19.805 1.00 0.00 C ATOM 0 H THR A 10 3.689 -11.782 -19.618 1.00 0.00 H new ATOM 0 HA THR A 10 4.937 -10.880 -21.877 1.00 0.00 H new ATOM 0 HB THR A 10 4.022 -8.724 -21.920 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.676 -7.352 -21.039 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.553 -7.404 -19.876 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.724 -8.978 -19.821 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.208 -8.720 -18.873 1.00 0.00 H new ATOM 138 N SER A 11 5.596 -10.859 -18.674 1.00 0.00 N ATOM 139 CA SER A 11 6.599 -11.149 -17.662 1.00 0.00 C ATOM 140 C SER A 11 5.909 -11.574 -16.373 1.00 0.00 C ATOM 141 O SER A 11 4.937 -12.326 -16.404 1.00 0.00 O ATOM 142 CB SER A 11 7.474 -9.921 -17.409 1.00 0.00 C ATOM 143 OG SER A 11 6.840 -9.078 -16.458 1.00 0.00 O ATOM 0 H SER A 11 4.654 -10.727 -18.305 1.00 0.00 H new ATOM 0 HA SER A 11 7.238 -11.959 -18.016 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.454 -10.228 -17.043 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.637 -9.379 -18.340 1.00 0.00 H new ATOM 0 HG SER A 11 7.400 -8.291 -16.293 1.00 0.00 H new ATOM 149 N GLU A 12 6.409 -11.095 -15.245 1.00 0.00 N ATOM 150 CA GLU A 12 5.811 -11.445 -13.963 1.00 0.00 C ATOM 151 C GLU A 12 4.419 -10.829 -13.825 1.00 0.00 C ATOM 152 O GLU A 12 3.538 -11.404 -13.186 1.00 0.00 O ATOM 153 CB GLU A 12 6.706 -10.974 -12.819 1.00 0.00 C ATOM 154 CG GLU A 12 8.047 -11.706 -12.892 1.00 0.00 C ATOM 155 CD GLU A 12 8.856 -11.432 -11.631 1.00 0.00 C ATOM 156 OE1 GLU A 12 8.560 -10.454 -10.964 1.00 0.00 O ATOM 157 OE2 GLU A 12 9.749 -12.211 -11.344 1.00 0.00 O ATOM 0 H GLU A 12 7.215 -10.472 -15.188 1.00 0.00 H new ATOM 0 HA GLU A 12 5.713 -12.530 -13.917 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.862 -9.897 -12.884 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.224 -11.169 -11.861 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.881 -12.778 -13.002 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.603 -11.378 -13.770 1.00 0.00 H new ATOM 164 N SER A 13 4.227 -9.661 -14.431 1.00 0.00 N ATOM 165 CA SER A 13 2.936 -8.976 -14.373 1.00 0.00 C ATOM 166 C SER A 13 2.443 -8.846 -12.934 1.00 0.00 C ATOM 167 O SER A 13 1.335 -8.364 -12.694 1.00 0.00 O ATOM 168 CB SER A 13 1.898 -9.745 -15.189 1.00 0.00 C ATOM 169 OG SER A 13 0.947 -10.324 -14.307 1.00 0.00 O ATOM 0 H SER A 13 4.943 -9.170 -14.966 1.00 0.00 H new ATOM 0 HA SER A 13 3.071 -7.977 -14.789 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.401 -9.075 -15.891 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.384 -10.522 -15.779 1.00 0.00 H new ATOM 0 HG SER A 13 0.278 -10.817 -14.826 1.00 0.00 H new ATOM 175 N VAL A 14 3.263 -9.274 -11.980 1.00 0.00 N ATOM 176 CA VAL A 14 2.882 -9.194 -10.574 1.00 0.00 C ATOM 177 C VAL A 14 4.030 -8.659 -9.732 1.00 0.00 C ATOM 178 O VAL A 14 3.901 -7.630 -9.067 1.00 0.00 O ATOM 179 CB VAL A 14 2.479 -10.574 -10.057 1.00 0.00 C ATOM 180 CG1 VAL A 14 1.962 -10.444 -8.623 1.00 0.00 C ATOM 181 CG2 VAL A 14 1.377 -11.152 -10.946 1.00 0.00 C ATOM 0 H VAL A 14 4.185 -9.675 -12.151 1.00 0.00 H new ATOM 0 HA VAL A 14 2.036 -8.512 -10.493 1.00 0.00 H new ATOM 0 HB VAL A 14 3.343 -11.238 -10.076 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.673 -11.427 -8.250 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.747 -10.032 -7.989 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.097 -9.781 -8.607 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.090 -12.136 -10.576 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.511 -10.491 -10.928 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.744 -11.241 -11.969 1.00 0.00 H new ATOM 191 N THR A 15 5.149 -9.369 -9.761 1.00 0.00 N ATOM 192 CA THR A 15 6.320 -8.966 -8.993 1.00 0.00 C ATOM 193 C THR A 15 5.926 -8.582 -7.570 1.00 0.00 C ATOM 194 O THR A 15 5.685 -9.446 -6.727 1.00 0.00 O ATOM 195 CB THR A 15 7.002 -7.774 -9.669 1.00 0.00 C ATOM 196 OG1 THR A 15 7.486 -8.171 -10.945 1.00 0.00 O ATOM 197 CG2 THR A 15 8.169 -7.287 -8.807 1.00 0.00 C ATOM 0 H THR A 15 5.271 -10.223 -10.305 1.00 0.00 H new ATOM 0 HA THR A 15 7.009 -9.809 -8.953 1.00 0.00 H new ATOM 0 HB THR A 15 6.282 -6.964 -9.786 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.637 -9.139 -10.951 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.651 -6.439 -9.293 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.796 -6.982 -7.829 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.892 -8.093 -8.684 1.00 0.00 H new ATOM 205 N GLU A 16 5.870 -7.280 -7.314 1.00 0.00 N ATOM 206 CA GLU A 16 5.516 -6.782 -5.992 1.00 0.00 C ATOM 207 C GLU A 16 6.292 -7.526 -4.910 1.00 0.00 C ATOM 208 O GLU A 16 5.733 -7.901 -3.880 1.00 0.00 O ATOM 209 CB GLU A 16 4.006 -6.918 -5.741 1.00 0.00 C ATOM 210 CG GLU A 16 3.593 -8.391 -5.735 1.00 0.00 C ATOM 211 CD GLU A 16 2.170 -8.528 -5.204 1.00 0.00 C ATOM 212 OE1 GLU A 16 1.620 -7.525 -4.778 1.00 0.00 O ATOM 213 OE2 GLU A 16 1.653 -9.632 -5.228 1.00 0.00 O ATOM 0 H GLU A 16 6.065 -6.553 -8.003 1.00 0.00 H new ATOM 0 HA GLU A 16 5.781 -5.726 -5.952 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.747 -6.458 -4.787 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.454 -6.383 -6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.655 -8.799 -6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.279 -8.968 -5.115 1.00 0.00 H new ATOM 220 N ILE A 17 7.587 -7.736 -5.144 1.00 0.00 N ATOM 221 CA ILE A 17 8.415 -8.432 -4.166 1.00 0.00 C ATOM 222 C ILE A 17 9.405 -7.466 -3.516 1.00 0.00 C ATOM 223 O ILE A 17 9.000 -6.508 -2.860 1.00 0.00 O ATOM 224 CB ILE A 17 9.182 -9.585 -4.821 1.00 0.00 C ATOM 225 CG1 ILE A 17 8.200 -10.513 -5.540 1.00 0.00 C ATOM 226 CG2 ILE A 17 9.930 -10.373 -3.743 1.00 0.00 C ATOM 227 CD1 ILE A 17 8.949 -11.726 -6.093 1.00 0.00 C ATOM 0 H ILE A 17 8.077 -7.439 -5.988 1.00 0.00 H new ATOM 0 HA ILE A 17 7.754 -8.838 -3.400 1.00 0.00 H new ATOM 0 HB ILE A 17 9.894 -9.184 -5.542 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.420 -10.838 -4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.706 -9.978 -6.351 1.00 0.00 H new ATOM 0 HG21 ILE A 17 10.477 -11.194 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.631 -9.714 -3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 17 9.216 -10.773 -3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.247 -12.385 -6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.712 -11.393 -6.796 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.422 -12.266 -5.273 1.00 0.00 H new ATOM 239 N THR A 18 10.706 -7.730 -3.696 1.00 0.00 N ATOM 240 CA THR A 18 11.746 -6.880 -3.110 1.00 0.00 C ATOM 241 C THR A 18 11.298 -6.381 -1.741 1.00 0.00 C ATOM 242 O THR A 18 10.467 -5.482 -1.643 1.00 0.00 O ATOM 243 CB THR A 18 12.034 -5.685 -4.026 1.00 0.00 C ATOM 244 OG1 THR A 18 10.874 -4.870 -4.121 1.00 0.00 O ATOM 245 CG2 THR A 18 12.423 -6.182 -5.418 1.00 0.00 C ATOM 0 H THR A 18 11.059 -8.519 -4.238 1.00 0.00 H new ATOM 0 HA THR A 18 12.657 -7.468 -2.999 1.00 0.00 H new ATOM 0 HB THR A 18 12.856 -5.103 -3.609 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.285 -5.049 -3.358 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.627 -5.329 -6.065 1.00 0.00 H new ATOM 0 HG22 THR A 18 13.315 -6.804 -5.346 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.605 -6.768 -5.837 1.00 0.00 H new ATOM 253 N ALA A 19 11.830 -6.982 -0.684 1.00 0.00 N ATOM 254 CA ALA A 19 11.430 -6.593 0.660 1.00 0.00 C ATOM 255 C ALA A 19 9.985 -7.014 0.868 1.00 0.00 C ATOM 256 O ALA A 19 9.271 -6.454 1.702 1.00 0.00 O ATOM 257 CB ALA A 19 11.552 -5.078 0.840 1.00 0.00 C ATOM 0 H ALA A 19 12.526 -7.726 -0.729 1.00 0.00 H new ATOM 0 HA ALA A 19 12.080 -7.078 1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 19 11.249 -4.806 1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.586 -4.774 0.677 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.908 -4.573 0.120 1.00 0.00 H new ATOM 263 N SER A 20 9.555 -7.997 0.078 1.00 0.00 N ATOM 264 CA SER A 20 8.186 -8.480 0.157 1.00 0.00 C ATOM 265 C SER A 20 7.228 -7.312 -0.032 1.00 0.00 C ATOM 266 O SER A 20 6.074 -7.362 0.393 1.00 0.00 O ATOM 267 CB SER A 20 7.943 -9.147 1.510 1.00 0.00 C ATOM 268 OG SER A 20 8.633 -8.421 2.518 1.00 0.00 O ATOM 0 H SER A 20 10.133 -8.469 -0.618 1.00 0.00 H new ATOM 0 HA SER A 20 8.016 -9.216 -0.628 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.876 -9.173 1.730 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.289 -10.180 1.487 1.00 0.00 H new ATOM 0 HG SER A 20 8.449 -7.464 2.416 1.00 0.00 H new ATOM 274 N SER A 21 7.727 -6.255 -0.671 1.00 0.00 N ATOM 275 CA SER A 21 6.922 -5.064 -0.913 1.00 0.00 C ATOM 276 C SER A 21 5.719 -5.399 -1.782 1.00 0.00 C ATOM 277 O SER A 21 5.856 -5.991 -2.848 1.00 0.00 O ATOM 278 CB SER A 21 7.765 -4.000 -1.615 1.00 0.00 C ATOM 279 OG SER A 21 7.626 -4.146 -3.022 1.00 0.00 O ATOM 0 H SER A 21 8.681 -6.201 -1.028 1.00 0.00 H new ATOM 0 HA SER A 21 6.574 -4.685 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.445 -3.004 -1.307 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.812 -4.101 -1.329 1.00 0.00 H new ATOM 0 HG SER A 21 6.977 -3.492 -3.356 1.00 0.00 H new ATOM 285 N PHE A 22 4.543 -5.011 -1.313 1.00 0.00 N ATOM 286 CA PHE A 22 3.305 -5.268 -2.040 1.00 0.00 C ATOM 287 C PHE A 22 2.927 -4.112 -2.955 1.00 0.00 C ATOM 288 O PHE A 22 3.022 -2.956 -2.573 1.00 0.00 O ATOM 289 CB PHE A 22 2.159 -5.462 -1.045 1.00 0.00 C ATOM 290 CG PHE A 22 2.120 -6.871 -0.518 1.00 0.00 C ATOM 291 CD1 PHE A 22 3.230 -7.715 -0.628 1.00 0.00 C ATOM 292 CD2 PHE A 22 0.941 -7.339 0.067 1.00 0.00 C ATOM 293 CE1 PHE A 22 3.155 -9.028 -0.154 1.00 0.00 C ATOM 294 CE2 PHE A 22 0.868 -8.645 0.547 1.00 0.00 C ATOM 295 CZ PHE A 22 1.973 -9.494 0.437 1.00 0.00 C ATOM 0 H PHE A 22 4.418 -4.516 -0.430 1.00 0.00 H new ATOM 0 HA PHE A 22 3.469 -6.160 -2.644 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.274 -4.765 -0.215 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.211 -5.227 -1.529 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.143 -7.353 -1.078 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.084 -6.687 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.009 -9.684 -0.243 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.043 -9.002 1.004 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.916 -10.507 0.807 1.00 0.00 H new ATOM 305 N VAL A 23 2.431 -4.436 -4.139 1.00 0.00 N ATOM 306 CA VAL A 23 1.970 -3.406 -5.056 1.00 0.00 C ATOM 307 C VAL A 23 0.513 -3.674 -5.387 1.00 0.00 C ATOM 308 O VAL A 23 0.196 -4.621 -6.105 1.00 0.00 O ATOM 309 CB VAL A 23 2.791 -3.398 -6.346 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.205 -2.359 -7.303 1.00 0.00 C ATOM 311 CG2 VAL A 23 4.244 -3.033 -6.032 1.00 0.00 C ATOM 0 H VAL A 23 2.338 -5.391 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 23 2.087 -2.433 -4.579 1.00 0.00 H new ATOM 0 HB VAL A 23 2.759 -4.387 -6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.785 -2.347 -8.226 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.170 -2.615 -7.528 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.242 -1.374 -6.838 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.825 -3.029 -6.954 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.280 -2.044 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.663 -3.766 -5.343 1.00 0.00 H new ATOM 321 N VAL A 24 -0.375 -2.850 -4.852 1.00 0.00 N ATOM 322 CA VAL A 24 -1.795 -3.041 -5.101 1.00 0.00 C ATOM 323 C VAL A 24 -2.380 -1.848 -5.836 1.00 0.00 C ATOM 324 O VAL A 24 -2.124 -0.697 -5.485 1.00 0.00 O ATOM 325 CB VAL A 24 -2.535 -3.253 -3.779 1.00 0.00 C ATOM 326 CG1 VAL A 24 -4.032 -3.425 -4.054 1.00 0.00 C ATOM 327 CG2 VAL A 24 -1.995 -4.510 -3.091 1.00 0.00 C ATOM 0 H VAL A 24 -0.144 -2.057 -4.254 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.917 -3.925 -5.727 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.382 -2.389 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.560 -3.576 -3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -4.416 -2.532 -4.546 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.186 -4.290 -4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.521 -4.663 -2.149 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.150 -5.374 -3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.929 -4.389 -2.896 1.00 0.00 H new ATOM 337 N SER A 25 -3.184 -2.134 -6.851 1.00 0.00 N ATOM 338 CA SER A 25 -3.821 -1.082 -7.622 1.00 0.00 C ATOM 339 C SER A 25 -5.322 -1.296 -7.613 1.00 0.00 C ATOM 340 O SER A 25 -5.796 -2.427 -7.506 1.00 0.00 O ATOM 341 CB SER A 25 -3.301 -1.079 -9.058 1.00 0.00 C ATOM 342 OG SER A 25 -3.732 -2.261 -9.717 1.00 0.00 O ATOM 0 H SER A 25 -3.408 -3.081 -7.156 1.00 0.00 H new ATOM 0 HA SER A 25 -3.586 -0.118 -7.172 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.668 -0.200 -9.588 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.212 -1.023 -9.062 1.00 0.00 H new ATOM 0 HG SER A 25 -3.401 -2.261 -10.639 1.00 0.00 H new ATOM 348 N TRP A 26 -6.070 -0.212 -7.716 1.00 0.00 N ATOM 349 CA TRP A 26 -7.517 -0.311 -7.706 1.00 0.00 C ATOM 350 C TRP A 26 -8.127 0.732 -8.623 1.00 0.00 C ATOM 351 O TRP A 26 -7.437 1.335 -9.445 1.00 0.00 O ATOM 352 CB TRP A 26 -8.030 -0.099 -6.281 1.00 0.00 C ATOM 353 CG TRP A 26 -7.470 1.179 -5.739 1.00 0.00 C ATOM 354 CD1 TRP A 26 -8.007 2.408 -5.924 1.00 0.00 C ATOM 355 CD2 TRP A 26 -6.273 1.374 -4.931 1.00 0.00 C ATOM 356 NE1 TRP A 26 -7.215 3.345 -5.280 1.00 0.00 N ATOM 357 CE2 TRP A 26 -6.134 2.755 -4.655 1.00 0.00 C ATOM 358 CE3 TRP A 26 -5.304 0.495 -4.417 1.00 0.00 C ATOM 359 CZ2 TRP A 26 -5.073 3.247 -3.893 1.00 0.00 C ATOM 360 CZ3 TRP A 26 -4.234 0.986 -3.651 1.00 0.00 C ATOM 361 CH2 TRP A 26 -4.118 2.359 -3.392 1.00 0.00 C ATOM 0 H TRP A 26 -5.704 0.736 -7.806 1.00 0.00 H new ATOM 0 HA TRP A 26 -7.805 -1.301 -8.060 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -9.119 -0.063 -6.276 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -7.736 -0.936 -5.648 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -8.906 2.623 -6.482 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -7.407 4.347 -5.269 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -5.383 -0.564 -4.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -4.991 4.305 -3.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -3.496 0.302 -3.259 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -3.291 2.730 -2.805 1.00 0.00 H new ATOM 372 N VAL A 27 -9.422 0.947 -8.467 1.00 0.00 N ATOM 373 CA VAL A 27 -10.121 1.927 -9.272 1.00 0.00 C ATOM 374 C VAL A 27 -10.703 3.002 -8.365 1.00 0.00 C ATOM 375 O VAL A 27 -11.304 2.701 -7.335 1.00 0.00 O ATOM 376 CB VAL A 27 -11.233 1.242 -10.069 1.00 0.00 C ATOM 377 CG1 VAL A 27 -11.918 2.263 -10.978 1.00 0.00 C ATOM 378 CG2 VAL A 27 -10.626 0.125 -10.926 1.00 0.00 C ATOM 0 H VAL A 27 -10.007 0.456 -7.791 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.426 2.391 -9.972 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.967 0.821 -9.381 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.710 1.772 -11.545 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -12.347 3.060 -10.371 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.187 2.685 -11.667 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.415 -0.366 -11.496 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.894 0.550 -11.612 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.137 -0.604 -10.280 1.00 0.00 H new ATOM 388 N SER A 28 -10.506 4.256 -8.743 1.00 0.00 N ATOM 389 CA SER A 28 -11.006 5.361 -7.938 1.00 0.00 C ATOM 390 C SER A 28 -12.479 5.158 -7.605 1.00 0.00 C ATOM 391 O SER A 28 -12.959 5.611 -6.566 1.00 0.00 O ATOM 392 CB SER A 28 -10.828 6.681 -8.687 1.00 0.00 C ATOM 393 OG SER A 28 -11.480 6.593 -9.947 1.00 0.00 O ATOM 0 H SER A 28 -10.010 4.532 -9.591 1.00 0.00 H new ATOM 0 HA SER A 28 -10.436 5.393 -7.010 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.245 7.503 -8.105 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.768 6.894 -8.826 1.00 0.00 H new ATOM 0 HG SER A 28 -11.371 7.438 -10.432 1.00 0.00 H new ATOM 399 N ALA A 29 -13.187 4.464 -8.486 1.00 0.00 N ATOM 400 CA ALA A 29 -14.604 4.194 -8.273 1.00 0.00 C ATOM 401 C ALA A 29 -15.326 5.431 -7.753 1.00 0.00 C ATOM 402 O ALA A 29 -16.487 5.357 -7.351 1.00 0.00 O ATOM 403 CB ALA A 29 -14.771 3.050 -7.270 1.00 0.00 C ATOM 0 H ALA A 29 -12.807 4.079 -9.351 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.042 3.913 -9.231 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.832 2.854 -7.115 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.289 2.153 -7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -14.312 3.328 -6.321 1.00 0.00 H new ATOM 409 N SER A 30 -14.637 6.566 -7.758 1.00 0.00 N ATOM 410 CA SER A 30 -15.236 7.805 -7.279 1.00 0.00 C ATOM 411 C SER A 30 -14.361 9.000 -7.630 1.00 0.00 C ATOM 412 O SER A 30 -13.232 9.114 -7.153 1.00 0.00 O ATOM 413 CB SER A 30 -15.414 7.741 -5.764 1.00 0.00 C ATOM 414 OG SER A 30 -16.733 7.307 -5.462 1.00 0.00 O ATOM 0 H SER A 30 -13.675 6.654 -8.084 1.00 0.00 H new ATOM 0 HA SER A 30 -16.206 7.924 -7.762 1.00 0.00 H new ATOM 0 HB2 SER A 30 -14.686 7.056 -5.330 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.232 8.721 -5.324 1.00 0.00 H new ATOM 0 HG SER A 30 -16.953 6.524 -6.009 1.00 0.00 H new ATOM 420 N ASP A 31 -14.893 9.898 -8.449 1.00 0.00 N ATOM 421 CA ASP A 31 -14.151 11.087 -8.833 1.00 0.00 C ATOM 422 C ASP A 31 -14.326 12.163 -7.769 1.00 0.00 C ATOM 423 O ASP A 31 -13.673 13.204 -7.805 1.00 0.00 O ATOM 424 CB ASP A 31 -14.641 11.602 -10.187 1.00 0.00 C ATOM 425 CG ASP A 31 -14.262 10.617 -11.288 1.00 0.00 C ATOM 426 OD1 ASP A 31 -13.490 9.714 -11.008 1.00 0.00 O ATOM 427 OD2 ASP A 31 -14.747 10.779 -12.395 1.00 0.00 O ATOM 0 H ASP A 31 -15.826 9.826 -8.855 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.094 10.836 -8.919 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.722 11.736 -10.164 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.203 12.578 -10.394 1.00 0.00 H new ATOM 432 N THR A 32 -15.210 11.888 -6.815 1.00 0.00 N ATOM 433 CA THR A 32 -15.471 12.813 -5.727 1.00 0.00 C ATOM 434 C THR A 32 -14.506 12.552 -4.578 1.00 0.00 C ATOM 435 O THR A 32 -14.543 13.230 -3.551 1.00 0.00 O ATOM 436 CB THR A 32 -16.908 12.633 -5.242 1.00 0.00 C ATOM 437 OG1 THR A 32 -17.138 11.262 -4.949 1.00 0.00 O ATOM 438 CG2 THR A 32 -17.876 13.097 -6.331 1.00 0.00 C ATOM 0 H THR A 32 -15.757 11.028 -6.777 1.00 0.00 H new ATOM 0 HA THR A 32 -15.331 13.834 -6.082 1.00 0.00 H new ATOM 0 HB THR A 32 -17.067 13.227 -4.342 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.059 11.144 -4.636 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.902 12.969 -5.985 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.697 14.149 -6.553 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.720 12.505 -7.233 1.00 0.00 H new ATOM 446 N VAL A 33 -13.645 11.558 -4.762 1.00 0.00 N ATOM 447 CA VAL A 33 -12.671 11.197 -3.746 1.00 0.00 C ATOM 448 C VAL A 33 -11.644 12.309 -3.561 1.00 0.00 C ATOM 449 O VAL A 33 -11.162 12.890 -4.532 1.00 0.00 O ATOM 450 CB VAL A 33 -11.966 9.902 -4.157 1.00 0.00 C ATOM 451 CG1 VAL A 33 -11.314 10.080 -5.529 1.00 0.00 C ATOM 452 CG2 VAL A 33 -10.890 9.549 -3.133 1.00 0.00 C ATOM 0 H VAL A 33 -13.604 10.989 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 33 -13.190 11.050 -2.799 1.00 0.00 H new ATOM 0 HB VAL A 33 -12.702 9.099 -4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.814 9.155 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -12.079 10.323 -6.266 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.584 10.888 -5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.392 8.626 -3.432 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.159 10.355 -3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -11.350 9.413 -2.154 1.00 0.00 H new ATOM 462 N SER A 34 -11.317 12.595 -2.305 1.00 0.00 N ATOM 463 CA SER A 34 -10.340 13.633 -1.994 1.00 0.00 C ATOM 464 C SER A 34 -8.967 13.005 -1.812 1.00 0.00 C ATOM 465 O SER A 34 -7.942 13.686 -1.849 1.00 0.00 O ATOM 466 CB SER A 34 -10.749 14.371 -0.719 1.00 0.00 C ATOM 467 OG SER A 34 -11.979 15.046 -0.946 1.00 0.00 O ATOM 0 H SER A 34 -11.712 12.126 -1.490 1.00 0.00 H new ATOM 0 HA SER A 34 -10.302 14.346 -2.817 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.854 13.666 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.976 15.084 -0.433 1.00 0.00 H new ATOM 0 HG SER A 34 -11.822 16.013 -0.967 1.00 0.00 H new ATOM 473 N GLY A 35 -8.968 11.692 -1.623 1.00 0.00 N ATOM 474 CA GLY A 35 -7.735 10.943 -1.443 1.00 0.00 C ATOM 475 C GLY A 35 -8.057 9.477 -1.196 1.00 0.00 C ATOM 476 O GLY A 35 -9.224 9.092 -1.127 1.00 0.00 O ATOM 0 H GLY A 35 -9.814 11.123 -1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.105 11.043 -2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.171 11.348 -0.603 1.00 0.00 H new ATOM 480 N PHE A 36 -7.024 8.662 -1.047 1.00 0.00 N ATOM 481 CA PHE A 36 -7.225 7.246 -0.788 1.00 0.00 C ATOM 482 C PHE A 36 -6.464 6.830 0.457 1.00 0.00 C ATOM 483 O PHE A 36 -5.435 7.409 0.789 1.00 0.00 O ATOM 484 CB PHE A 36 -6.759 6.406 -1.980 1.00 0.00 C ATOM 485 CG PHE A 36 -7.664 6.660 -3.159 1.00 0.00 C ATOM 486 CD1 PHE A 36 -8.854 5.931 -3.302 1.00 0.00 C ATOM 487 CD2 PHE A 36 -7.320 7.629 -4.107 1.00 0.00 C ATOM 488 CE1 PHE A 36 -9.696 6.174 -4.396 1.00 0.00 C ATOM 489 CE2 PHE A 36 -8.160 7.868 -5.198 1.00 0.00 C ATOM 490 CZ PHE A 36 -9.347 7.144 -5.343 1.00 0.00 C ATOM 0 H PHE A 36 -6.048 8.953 -1.100 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.290 7.075 -0.634 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.730 6.659 -2.237 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.772 5.348 -1.720 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -9.121 5.183 -2.570 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.405 8.192 -3.996 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -10.613 5.614 -4.508 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.891 8.614 -5.931 1.00 0.00 H new ATOM 0 HZ PHE A 36 -9.995 7.333 -6.186 1.00 0.00 H new ATOM 500 N ARG A 37 -6.972 5.820 1.138 1.00 0.00 N ATOM 501 CA ARG A 37 -6.320 5.335 2.338 1.00 0.00 C ATOM 502 C ARG A 37 -6.175 3.829 2.254 1.00 0.00 C ATOM 503 O ARG A 37 -7.152 3.110 2.039 1.00 0.00 O ATOM 504 CB ARG A 37 -7.136 5.705 3.576 1.00 0.00 C ATOM 505 CG ARG A 37 -6.261 5.544 4.819 1.00 0.00 C ATOM 506 CD ARG A 37 -7.096 5.782 6.078 1.00 0.00 C ATOM 507 NE ARG A 37 -7.865 4.589 6.407 1.00 0.00 N ATOM 508 CZ ARG A 37 -8.362 4.407 7.627 1.00 0.00 C ATOM 509 NH1 ARG A 37 -8.198 5.325 8.539 1.00 0.00 N ATOM 510 NH2 ARG A 37 -9.018 3.315 7.909 1.00 0.00 N ATOM 0 H ARG A 37 -7.826 5.324 0.883 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.336 5.797 2.419 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.493 6.732 3.498 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.016 5.067 3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.828 4.544 4.843 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -5.431 6.250 4.784 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.444 6.044 6.911 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.769 6.625 5.923 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.025 3.882 5.690 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.689 6.181 8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.578 5.187 9.475 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.150 2.600 7.193 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.399 3.176 8.845 1.00 0.00 H new ATOM 524 N VAL A 38 -4.954 3.353 2.417 1.00 0.00 N ATOM 525 CA VAL A 38 -4.704 1.925 2.348 1.00 0.00 C ATOM 526 C VAL A 38 -4.376 1.378 3.726 1.00 0.00 C ATOM 527 O VAL A 38 -3.536 1.924 4.441 1.00 0.00 O ATOM 528 CB VAL A 38 -3.551 1.640 1.386 1.00 0.00 C ATOM 529 CG1 VAL A 38 -3.348 0.130 1.251 1.00 0.00 C ATOM 530 CG2 VAL A 38 -3.889 2.230 0.019 1.00 0.00 C ATOM 0 H VAL A 38 -4.129 3.926 2.596 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.604 1.432 1.981 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.636 2.090 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.525 -0.066 0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.115 -0.295 2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.259 -0.327 0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.072 2.032 -0.675 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.804 1.774 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.032 3.306 0.113 1.00 0.00 H new ATOM 540 N GLU A 39 -5.036 0.288 4.088 1.00 0.00 N ATOM 541 CA GLU A 39 -4.797 -0.331 5.379 1.00 0.00 C ATOM 542 C GLU A 39 -4.335 -1.762 5.172 1.00 0.00 C ATOM 543 O GLU A 39 -4.997 -2.541 4.486 1.00 0.00 O ATOM 544 CB GLU A 39 -6.079 -0.323 6.214 1.00 0.00 C ATOM 545 CG GLU A 39 -5.761 -0.754 7.650 1.00 0.00 C ATOM 546 CD GLU A 39 -7.053 -0.900 8.449 1.00 0.00 C ATOM 547 OE1 GLU A 39 -8.105 -0.645 7.888 1.00 0.00 O ATOM 548 OE2 GLU A 39 -6.972 -1.263 9.611 1.00 0.00 O ATOM 0 H GLU A 39 -5.734 -0.181 3.511 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.028 0.232 5.908 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.520 0.674 6.212 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.815 -0.998 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.219 -1.700 7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.112 -0.018 8.124 1.00 0.00 H new ATOM 555 N TYR A 40 -3.198 -2.106 5.760 1.00 0.00 N ATOM 556 CA TYR A 40 -2.677 -3.451 5.611 1.00 0.00 C ATOM 557 C TYR A 40 -2.142 -3.986 6.935 1.00 0.00 C ATOM 558 O TYR A 40 -1.460 -3.277 7.675 1.00 0.00 O ATOM 559 CB TYR A 40 -1.579 -3.469 4.545 1.00 0.00 C ATOM 560 CG TYR A 40 -0.383 -2.688 5.033 1.00 0.00 C ATOM 561 CD1 TYR A 40 -0.326 -1.305 4.827 1.00 0.00 C ATOM 562 CD2 TYR A 40 0.667 -3.344 5.683 1.00 0.00 C ATOM 563 CE1 TYR A 40 0.781 -0.577 5.277 1.00 0.00 C ATOM 564 CE2 TYR A 40 1.776 -2.616 6.133 1.00 0.00 C ATOM 565 CZ TYR A 40 1.833 -1.233 5.929 1.00 0.00 C ATOM 566 OH TYR A 40 2.925 -0.514 6.372 1.00 0.00 O ATOM 0 H TYR A 40 -2.630 -1.483 6.334 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.493 -4.101 5.295 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -1.289 -4.496 4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.953 -3.037 3.617 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.136 -0.800 4.321 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.623 -4.412 5.838 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.824 0.491 5.122 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.586 -3.122 6.637 1.00 0.00 H new ATOM 0 HH TYR A 40 2.964 -0.548 7.351 1.00 0.00 H new ATOM 576 N GLU A 41 -2.458 -5.248 7.219 1.00 0.00 N ATOM 577 CA GLU A 41 -2.010 -5.886 8.450 1.00 0.00 C ATOM 578 C GLU A 41 -1.766 -7.375 8.214 1.00 0.00 C ATOM 579 O GLU A 41 -2.171 -7.923 7.190 1.00 0.00 O ATOM 580 CB GLU A 41 -3.057 -5.714 9.553 1.00 0.00 C ATOM 581 CG GLU A 41 -4.201 -6.714 9.357 1.00 0.00 C ATOM 582 CD GLU A 41 -5.242 -6.530 10.456 1.00 0.00 C ATOM 583 OE1 GLU A 41 -4.937 -5.849 11.421 1.00 0.00 O ATOM 584 OE2 GLU A 41 -6.325 -7.077 10.320 1.00 0.00 O ATOM 0 H GLU A 41 -3.021 -5.846 6.614 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.080 -5.411 8.762 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.596 -5.865 10.529 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.447 -4.696 9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.661 -6.567 8.380 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.813 -7.733 9.377 1.00 0.00 H new ATOM 591 N LEU A 42 -1.115 -8.027 9.172 1.00 0.00 N ATOM 592 CA LEU A 42 -0.842 -9.456 9.056 1.00 0.00 C ATOM 593 C LEU A 42 -2.088 -10.282 9.357 1.00 0.00 C ATOM 594 O LEU A 42 -2.734 -10.100 10.389 1.00 0.00 O ATOM 595 CB LEU A 42 0.282 -9.857 10.013 1.00 0.00 C ATOM 596 CG LEU A 42 1.622 -9.381 9.451 1.00 0.00 C ATOM 597 CD1 LEU A 42 2.713 -9.568 10.507 1.00 0.00 C ATOM 598 CD2 LEU A 42 1.969 -10.214 8.214 1.00 0.00 C ATOM 0 H LEU A 42 -0.770 -7.595 10.029 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.536 -9.655 8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.111 -9.418 10.996 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.294 -10.939 10.144 1.00 0.00 H new ATOM 0 HG LEU A 42 1.554 -8.327 9.182 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.669 -9.229 10.107 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.464 -8.986 11.394 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.785 -10.623 10.773 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.924 -9.881 7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.040 -11.266 8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.190 -10.090 7.461 1.00 0.00 H new ATOM 610 N SER A 43 -2.415 -11.196 8.448 1.00 0.00 N ATOM 611 CA SER A 43 -3.583 -12.054 8.626 1.00 0.00 C ATOM 612 C SER A 43 -3.280 -13.149 9.642 1.00 0.00 C ATOM 613 O SER A 43 -4.187 -13.811 10.147 1.00 0.00 O ATOM 614 CB SER A 43 -3.958 -12.713 7.301 1.00 0.00 C ATOM 615 OG SER A 43 -3.117 -13.835 7.089 1.00 0.00 O ATOM 0 H SER A 43 -1.893 -11.361 7.587 1.00 0.00 H new ATOM 0 HA SER A 43 -4.409 -11.437 8.980 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.003 -13.023 7.317 1.00 0.00 H new ATOM 0 HB3 SER A 43 -3.850 -12.001 6.483 1.00 0.00 H new ATOM 0 HG SER A 43 -3.641 -14.658 7.181 1.00 0.00 H new ATOM 621 N GLU A 44 -1.996 -13.347 9.917 1.00 0.00 N ATOM 622 CA GLU A 44 -1.572 -14.382 10.854 1.00 0.00 C ATOM 623 C GLU A 44 -1.443 -13.824 12.265 1.00 0.00 C ATOM 624 O GLU A 44 -2.280 -14.084 13.129 1.00 0.00 O ATOM 625 CB GLU A 44 -0.224 -14.951 10.413 1.00 0.00 C ATOM 626 CG GLU A 44 -0.309 -15.387 8.947 1.00 0.00 C ATOM 627 CD GLU A 44 -1.303 -16.536 8.801 1.00 0.00 C ATOM 628 OE1 GLU A 44 -1.638 -17.134 9.810 1.00 0.00 O ATOM 629 OE2 GLU A 44 -1.713 -16.800 7.684 1.00 0.00 O ATOM 0 H GLU A 44 -1.233 -12.808 9.507 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.327 -15.168 10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.557 -14.201 10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.048 -15.800 11.041 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.619 -14.546 8.326 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.674 -15.699 8.594 1.00 0.00 H new ATOM 636 N GLU A 45 -0.379 -13.065 12.492 1.00 0.00 N ATOM 637 CA GLU A 45 -0.128 -12.479 13.799 1.00 0.00 C ATOM 638 C GLU A 45 -1.237 -11.508 14.184 1.00 0.00 C ATOM 639 O GLU A 45 -1.593 -11.391 15.357 1.00 0.00 O ATOM 640 CB GLU A 45 1.213 -11.751 13.768 1.00 0.00 C ATOM 641 CG GLU A 45 2.332 -12.776 13.589 1.00 0.00 C ATOM 642 CD GLU A 45 2.482 -13.608 14.860 1.00 0.00 C ATOM 643 OE1 GLU A 45 1.930 -13.209 15.871 1.00 0.00 O ATOM 644 OE2 GLU A 45 3.150 -14.628 14.804 1.00 0.00 O ATOM 0 H GLU A 45 0.323 -12.842 11.787 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.104 -13.274 14.544 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.230 -11.029 12.952 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.359 -11.192 14.692 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.110 -13.426 12.743 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.270 -12.268 13.363 1.00 0.00 H new ATOM 651 N GLY A 46 -1.781 -10.818 13.191 1.00 0.00 N ATOM 652 CA GLY A 46 -2.853 -9.863 13.443 1.00 0.00 C ATOM 653 C GLY A 46 -2.318 -8.613 14.131 1.00 0.00 C ATOM 654 O GLY A 46 -2.999 -8.015 14.965 1.00 0.00 O ATOM 0 H GLY A 46 -1.502 -10.899 12.213 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.330 -9.589 12.502 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.619 -10.326 14.065 1.00 0.00 H new ATOM 658 N ASP A 47 -1.099 -8.220 13.777 1.00 0.00 N ATOM 659 CA ASP A 47 -0.488 -7.038 14.367 1.00 0.00 C ATOM 660 C ASP A 47 -1.370 -5.821 14.130 1.00 0.00 C ATOM 661 O ASP A 47 -2.333 -5.886 13.366 1.00 0.00 O ATOM 662 CB ASP A 47 0.888 -6.799 13.748 1.00 0.00 C ATOM 663 CG ASP A 47 1.828 -7.942 14.110 1.00 0.00 C ATOM 664 OD1 ASP A 47 1.419 -8.799 14.876 1.00 0.00 O ATOM 665 OD2 ASP A 47 2.944 -7.945 13.616 1.00 0.00 O ATOM 0 H ASP A 47 -0.519 -8.700 13.089 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.378 -7.198 15.440 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.800 -6.719 12.665 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.297 -5.854 14.105 1.00 0.00 H new ATOM 670 N GLU A 48 -1.047 -4.713 14.785 1.00 0.00 N ATOM 671 CA GLU A 48 -1.836 -3.505 14.619 1.00 0.00 C ATOM 672 C GLU A 48 -1.797 -3.057 13.161 1.00 0.00 C ATOM 673 O GLU A 48 -0.746 -3.093 12.522 1.00 0.00 O ATOM 674 CB GLU A 48 -1.295 -2.392 15.514 1.00 0.00 C ATOM 675 CG GLU A 48 0.231 -2.431 15.508 1.00 0.00 C ATOM 676 CD GLU A 48 0.745 -3.133 16.760 1.00 0.00 C ATOM 677 OE1 GLU A 48 0.228 -4.192 17.075 1.00 0.00 O ATOM 678 OE2 GLU A 48 1.647 -2.601 17.386 1.00 0.00 O ATOM 0 H GLU A 48 -0.257 -4.628 15.425 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.866 -3.718 14.904 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.646 -1.423 15.160 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.669 -2.514 16.531 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.585 -2.952 14.619 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.628 -1.417 15.462 1.00 0.00 H new ATOM 685 N PRO A 49 -2.918 -2.650 12.626 1.00 0.00 N ATOM 686 CA PRO A 49 -3.015 -2.202 11.207 1.00 0.00 C ATOM 687 C PRO A 49 -2.206 -0.940 10.928 1.00 0.00 C ATOM 688 O PRO A 49 -1.987 -0.112 11.812 1.00 0.00 O ATOM 689 CB PRO A 49 -4.511 -1.948 10.996 1.00 0.00 C ATOM 690 CG PRO A 49 -5.089 -1.764 12.359 1.00 0.00 C ATOM 691 CD PRO A 49 -4.213 -2.570 13.316 1.00 0.00 C ATOM 0 HA PRO A 49 -2.605 -2.949 10.527 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.674 -1.064 10.380 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.981 -2.786 10.482 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.099 -0.710 12.637 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.121 -2.112 12.392 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.120 -2.077 14.284 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.629 -3.560 13.501 1.00 0.00 H new ATOM 699 N GLN A 50 -1.777 -0.805 9.680 1.00 0.00 N ATOM 700 CA GLN A 50 -1.003 0.353 9.254 1.00 0.00 C ATOM 701 C GLN A 50 -1.775 1.090 8.168 1.00 0.00 C ATOM 702 O GLN A 50 -2.467 0.463 7.372 1.00 0.00 O ATOM 703 CB GLN A 50 0.351 -0.108 8.715 1.00 0.00 C ATOM 704 CG GLN A 50 1.078 -0.895 9.806 1.00 0.00 C ATOM 705 CD GLN A 50 2.166 -1.764 9.188 1.00 0.00 C ATOM 706 OE1 GLN A 50 3.112 -1.249 8.592 1.00 0.00 O ATOM 707 NE2 GLN A 50 2.083 -3.063 9.295 1.00 0.00 N ATOM 0 H GLN A 50 -1.953 -1.487 8.942 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.836 1.022 10.098 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.212 -0.730 7.831 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.947 0.752 8.410 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.517 -0.208 10.529 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.368 -1.519 10.349 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.297 -3.485 9.790 1.00 0.00 H new ATOM 0 HE22 GLN A 50 2.804 -3.656 8.884 1.00 0.00 H new ATOM 716 N TYR A 51 -1.684 2.414 8.145 1.00 0.00 N ATOM 717 CA TYR A 51 -2.425 3.180 7.149 1.00 0.00 C ATOM 718 C TYR A 51 -1.508 4.023 6.272 1.00 0.00 C ATOM 719 O TYR A 51 -0.526 4.598 6.739 1.00 0.00 O ATOM 720 CB TYR A 51 -3.419 4.113 7.841 1.00 0.00 C ATOM 721 CG TYR A 51 -4.360 3.323 8.716 1.00 0.00 C ATOM 722 CD1 TYR A 51 -5.496 2.721 8.161 1.00 0.00 C ATOM 723 CD2 TYR A 51 -4.108 3.210 10.088 1.00 0.00 C ATOM 724 CE1 TYR A 51 -6.378 2.005 8.978 1.00 0.00 C ATOM 725 CE2 TYR A 51 -4.989 2.491 10.905 1.00 0.00 C ATOM 726 CZ TYR A 51 -6.125 1.890 10.350 1.00 0.00 C ATOM 727 OH TYR A 51 -6.998 1.187 11.155 1.00 0.00 O ATOM 0 H TYR A 51 -1.119 2.970 8.787 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.944 2.459 6.517 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.881 4.846 8.443 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.986 4.669 7.094 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.691 2.809 7.102 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.234 3.677 10.517 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.254 1.541 8.550 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -4.792 2.400 11.963 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.143 0.294 10.779 1.00 0.00 H new ATOM 737 N LEU A 52 -1.874 4.113 4.998 1.00 0.00 N ATOM 738 CA LEU A 52 -1.129 4.917 4.041 1.00 0.00 C ATOM 739 C LEU A 52 -2.100 5.830 3.303 1.00 0.00 C ATOM 740 O LEU A 52 -3.093 5.367 2.741 1.00 0.00 O ATOM 741 CB LEU A 52 -0.400 4.016 3.046 1.00 0.00 C ATOM 742 CG LEU A 52 0.458 3.014 3.816 1.00 0.00 C ATOM 743 CD1 LEU A 52 1.108 2.031 2.839 1.00 0.00 C ATOM 744 CD2 LEU A 52 1.549 3.760 4.587 1.00 0.00 C ATOM 0 H LEU A 52 -2.686 3.636 4.605 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.387 5.516 4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.119 3.491 2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.225 4.615 2.384 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.173 2.465 4.515 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.719 1.318 3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.332 1.496 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.736 2.578 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.161 3.044 5.136 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.176 4.312 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.088 4.456 5.288 1.00 0.00 H new ATOM 756 N ASP A 53 -1.823 7.125 3.320 1.00 0.00 N ATOM 757 CA ASP A 53 -2.707 8.077 2.658 1.00 0.00 C ATOM 758 C ASP A 53 -2.156 8.494 1.297 1.00 0.00 C ATOM 759 O ASP A 53 -0.974 8.808 1.157 1.00 0.00 O ATOM 760 CB ASP A 53 -2.911 9.312 3.532 1.00 0.00 C ATOM 761 CG ASP A 53 -3.601 8.921 4.834 1.00 0.00 C ATOM 762 OD1 ASP A 53 -3.859 7.742 5.013 1.00 0.00 O ATOM 763 OD2 ASP A 53 -3.871 9.806 5.628 1.00 0.00 O ATOM 0 H ASP A 53 -1.009 7.537 3.776 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.666 7.583 2.503 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.950 9.779 3.746 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -3.512 10.049 3.000 1.00 0.00 H new ATOM 768 N LEU A 54 -3.032 8.483 0.298 1.00 0.00 N ATOM 769 CA LEU A 54 -2.652 8.846 -1.062 1.00 0.00 C ATOM 770 C LEU A 54 -3.626 9.894 -1.602 1.00 0.00 C ATOM 771 O LEU A 54 -4.735 10.037 -1.084 1.00 0.00 O ATOM 772 CB LEU A 54 -2.705 7.599 -1.953 1.00 0.00 C ATOM 773 CG LEU A 54 -2.202 6.377 -1.179 1.00 0.00 C ATOM 774 CD1 LEU A 54 -2.664 5.108 -1.890 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.674 6.397 -1.124 1.00 0.00 C ATOM 0 H LEU A 54 -4.013 8.226 0.406 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.641 9.255 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.727 7.429 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.094 7.752 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.601 6.399 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.309 4.235 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.753 5.091 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.261 5.091 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.318 5.527 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.273 6.373 -2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.340 7.305 -0.623 1.00 0.00 H new ATOM 787 N PRO A 55 -3.251 10.624 -2.622 1.00 0.00 N ATOM 788 CA PRO A 55 -4.134 11.662 -3.214 1.00 0.00 C ATOM 789 C PRO A 55 -5.245 11.054 -4.066 1.00 0.00 C ATOM 790 O PRO A 55 -5.144 9.915 -4.519 1.00 0.00 O ATOM 791 CB PRO A 55 -3.192 12.518 -4.064 1.00 0.00 C ATOM 792 CG PRO A 55 -2.009 11.658 -4.368 1.00 0.00 C ATOM 793 CD PRO A 55 -1.956 10.544 -3.317 1.00 0.00 C ATOM 0 HA PRO A 55 -4.651 12.239 -2.447 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.683 12.844 -4.981 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.892 13.418 -3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.092 11.235 -5.369 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.093 12.248 -4.346 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.815 9.568 -3.781 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -1.126 10.691 -2.626 1.00 0.00 H new ATOM 801 N SER A 56 -6.305 11.828 -4.270 1.00 0.00 N ATOM 802 CA SER A 56 -7.445 11.370 -5.061 1.00 0.00 C ATOM 803 C SER A 56 -7.016 10.965 -6.469 1.00 0.00 C ATOM 804 O SER A 56 -7.789 10.358 -7.210 1.00 0.00 O ATOM 805 CB SER A 56 -8.500 12.472 -5.146 1.00 0.00 C ATOM 806 OG SER A 56 -7.864 13.711 -5.434 1.00 0.00 O ATOM 0 H SER A 56 -6.400 12.774 -3.900 1.00 0.00 H new ATOM 0 HA SER A 56 -7.866 10.496 -4.565 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.228 12.235 -5.922 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.047 12.541 -4.206 1.00 0.00 H new ATOM 0 HG SER A 56 -8.539 14.420 -5.491 1.00 0.00 H new ATOM 812 N THR A 57 -5.790 11.311 -6.844 1.00 0.00 N ATOM 813 CA THR A 57 -5.298 10.974 -8.175 1.00 0.00 C ATOM 814 C THR A 57 -4.530 9.655 -8.159 1.00 0.00 C ATOM 815 O THR A 57 -4.162 9.132 -9.210 1.00 0.00 O ATOM 816 CB THR A 57 -4.384 12.085 -8.694 1.00 0.00 C ATOM 817 OG1 THR A 57 -3.171 12.085 -7.953 1.00 0.00 O ATOM 818 CG2 THR A 57 -5.082 13.437 -8.533 1.00 0.00 C ATOM 0 H THR A 57 -5.127 11.817 -6.256 1.00 0.00 H new ATOM 0 HA THR A 57 -6.160 10.869 -8.834 1.00 0.00 H new ATOM 0 HB THR A 57 -4.165 11.913 -9.748 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.584 12.796 -8.286 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.431 14.229 -8.903 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.012 13.436 -9.102 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.301 13.610 -7.479 1.00 0.00 H new ATOM 826 N ALA A 58 -4.286 9.124 -6.965 1.00 0.00 N ATOM 827 CA ALA A 58 -3.554 7.867 -6.837 1.00 0.00 C ATOM 828 C ALA A 58 -4.477 6.673 -7.054 1.00 0.00 C ATOM 829 O ALA A 58 -5.609 6.655 -6.572 1.00 0.00 O ATOM 830 CB ALA A 58 -2.910 7.774 -5.454 1.00 0.00 C ATOM 0 H ALA A 58 -4.580 9.538 -6.081 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.777 7.848 -7.602 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.366 6.833 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.219 8.606 -5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.685 7.817 -4.688 1.00 0.00 H new ATOM 836 N THR A 59 -3.982 5.674 -7.778 1.00 0.00 N ATOM 837 CA THR A 59 -4.771 4.479 -8.045 1.00 0.00 C ATOM 838 C THR A 59 -3.977 3.218 -7.726 1.00 0.00 C ATOM 839 O THR A 59 -4.440 2.105 -7.976 1.00 0.00 O ATOM 840 CB THR A 59 -5.207 4.450 -9.510 1.00 0.00 C ATOM 841 OG1 THR A 59 -4.081 4.680 -10.343 1.00 0.00 O ATOM 842 CG2 THR A 59 -6.259 5.531 -9.751 1.00 0.00 C ATOM 0 H THR A 59 -3.047 5.668 -8.186 1.00 0.00 H new ATOM 0 HA THR A 59 -5.652 4.509 -7.404 1.00 0.00 H new ATOM 0 HB THR A 59 -5.635 3.475 -9.744 1.00 0.00 H new ATOM 0 HG1 THR A 59 -4.359 4.660 -11.282 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.570 5.510 -10.796 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.123 5.347 -9.112 1.00 0.00 H new ATOM 0 HG23 THR A 59 -5.836 6.508 -9.518 1.00 0.00 H new ATOM 850 N SER A 60 -2.786 3.393 -7.164 1.00 0.00 N ATOM 851 CA SER A 60 -1.948 2.256 -6.811 1.00 0.00 C ATOM 852 C SER A 60 -0.865 2.691 -5.838 1.00 0.00 C ATOM 853 O SER A 60 -0.387 3.824 -5.892 1.00 0.00 O ATOM 854 CB SER A 60 -1.307 1.662 -8.065 1.00 0.00 C ATOM 855 OG SER A 60 -0.545 2.667 -8.722 1.00 0.00 O ATOM 0 H SER A 60 -2.383 4.304 -6.945 1.00 0.00 H new ATOM 0 HA SER A 60 -2.571 1.497 -6.338 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.668 0.821 -7.797 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.077 1.277 -8.734 1.00 0.00 H new ATOM 0 HG SER A 60 -0.131 2.290 -9.526 1.00 0.00 H new ATOM 861 N VAL A 61 -0.490 1.794 -4.939 1.00 0.00 N ATOM 862 CA VAL A 61 0.528 2.118 -3.950 1.00 0.00 C ATOM 863 C VAL A 61 1.367 0.898 -3.596 1.00 0.00 C ATOM 864 O VAL A 61 0.871 -0.229 -3.576 1.00 0.00 O ATOM 865 CB VAL A 61 -0.141 2.656 -2.691 1.00 0.00 C ATOM 866 CG1 VAL A 61 -0.837 1.514 -1.948 1.00 0.00 C ATOM 867 CG2 VAL A 61 0.912 3.290 -1.780 1.00 0.00 C ATOM 0 H VAL A 61 -0.868 0.849 -4.873 1.00 0.00 H new ATOM 0 HA VAL A 61 1.189 2.873 -4.377 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.879 3.408 -2.971 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.314 1.903 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.592 1.066 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.102 0.759 -1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.431 3.674 -0.880 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.653 2.540 -1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.403 4.108 -2.306 1.00 0.00 H new ATOM 877 N ASN A 62 2.640 1.138 -3.304 1.00 0.00 N ATOM 878 CA ASN A 62 3.544 0.061 -2.935 1.00 0.00 C ATOM 879 C ASN A 62 3.782 0.063 -1.430 1.00 0.00 C ATOM 880 O ASN A 62 4.129 1.090 -0.851 1.00 0.00 O ATOM 881 CB ASN A 62 4.879 0.217 -3.667 1.00 0.00 C ATOM 882 CG ASN A 62 5.896 -0.767 -3.098 1.00 0.00 C ATOM 883 OD1 ASN A 62 5.708 -2.048 -3.254 1.00 0.00 O flip ATOM 884 ND2 ASN A 62 6.885 -0.359 -2.489 1.00 0.00 N flip ATOM 0 H ASN A 62 3.066 2.065 -3.316 1.00 0.00 H new ATOM 0 HA ASN A 62 3.088 -0.886 -3.222 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.743 0.038 -4.734 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.247 1.238 -3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.031 0.643 -2.367 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.558 -1.023 -2.106 1.00 0.00 H new ATOM 891 N ILE A 63 3.593 -1.098 -0.807 1.00 0.00 N ATOM 892 CA ILE A 63 3.793 -1.234 0.628 1.00 0.00 C ATOM 893 C ILE A 63 5.088 -1.981 0.902 1.00 0.00 C ATOM 894 O ILE A 63 5.128 -3.208 0.822 1.00 0.00 O ATOM 895 CB ILE A 63 2.636 -2.012 1.245 1.00 0.00 C ATOM 896 CG1 ILE A 63 1.323 -1.600 0.578 1.00 0.00 C ATOM 897 CG2 ILE A 63 2.568 -1.714 2.743 1.00 0.00 C ATOM 898 CD1 ILE A 63 0.162 -1.941 1.511 1.00 0.00 C ATOM 0 H ILE A 63 3.302 -1.956 -1.276 1.00 0.00 H new ATOM 0 HA ILE A 63 3.842 -0.238 1.068 1.00 0.00 H new ATOM 0 HB ILE A 63 2.794 -3.080 1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.330 -0.532 0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.206 -2.118 -0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.742 -2.269 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.503 -2.014 3.217 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.411 -0.646 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.778 -1.650 1.043 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.154 -3.014 1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.281 -1.403 2.451 1.00 0.00 H new ATOM 910 N PRO A 64 6.141 -1.282 1.213 1.00 0.00 N ATOM 911 CA PRO A 64 7.449 -1.899 1.489 1.00 0.00 C ATOM 912 C PRO A 64 7.612 -2.267 2.957 1.00 0.00 C ATOM 913 O PRO A 64 6.762 -1.955 3.791 1.00 0.00 O ATOM 914 CB PRO A 64 8.429 -0.805 1.082 1.00 0.00 C ATOM 915 CG PRO A 64 7.716 0.482 1.347 1.00 0.00 C ATOM 916 CD PRO A 64 6.213 0.178 1.344 1.00 0.00 C ATOM 0 HA PRO A 64 7.594 -2.838 0.954 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.352 -0.869 1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 64 8.703 -0.894 0.031 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.022 0.901 2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.960 1.221 0.584 1.00 0.00 H new ATOM 0 HD2 PRO A 64 5.736 0.519 2.263 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.707 0.677 0.518 1.00 0.00 H new ATOM 924 N ASP A 65 8.717 -2.927 3.244 1.00 0.00 N ATOM 925 CA ASP A 65 9.040 -3.356 4.601 1.00 0.00 C ATOM 926 C ASP A 65 8.062 -4.419 5.098 1.00 0.00 C ATOM 927 O ASP A 65 7.706 -4.446 6.274 1.00 0.00 O ATOM 928 CB ASP A 65 9.007 -2.154 5.548 1.00 0.00 C ATOM 929 CG ASP A 65 10.012 -1.102 5.090 1.00 0.00 C ATOM 930 OD1 ASP A 65 10.917 -1.455 4.352 1.00 0.00 O ATOM 931 OD2 ASP A 65 9.860 0.044 5.481 1.00 0.00 O ATOM 0 H ASP A 65 9.418 -3.183 2.549 1.00 0.00 H new ATOM 0 HA ASP A 65 10.040 -3.790 4.585 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.005 -1.726 5.571 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.240 -2.474 6.564 1.00 0.00 H new ATOM 936 N LEU A 66 7.658 -5.309 4.200 1.00 0.00 N ATOM 937 CA LEU A 66 6.749 -6.394 4.564 1.00 0.00 C ATOM 938 C LEU A 66 7.554 -7.607 5.019 1.00 0.00 C ATOM 939 O LEU A 66 8.725 -7.738 4.671 1.00 0.00 O ATOM 940 CB LEU A 66 5.865 -6.769 3.373 1.00 0.00 C ATOM 941 CG LEU A 66 5.080 -5.540 2.912 1.00 0.00 C ATOM 942 CD1 LEU A 66 4.040 -5.958 1.870 1.00 0.00 C ATOM 943 CD2 LEU A 66 4.372 -4.906 4.113 1.00 0.00 C ATOM 0 H LEU A 66 7.942 -5.303 3.220 1.00 0.00 H new ATOM 0 HA LEU A 66 6.109 -6.060 5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.479 -7.149 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.178 -7.568 3.654 1.00 0.00 H new ATOM 0 HG LEU A 66 5.766 -4.817 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.481 -5.082 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.543 -6.409 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.354 -6.682 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 66 3.812 -4.030 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.687 -5.629 4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.112 -4.607 4.855 1.00 0.00 H new ATOM 955 N LEU A 67 6.931 -8.486 5.801 1.00 0.00 N ATOM 956 CA LEU A 67 7.616 -9.675 6.294 1.00 0.00 C ATOM 957 C LEU A 67 7.421 -10.851 5.335 1.00 0.00 C ATOM 958 O LEU A 67 6.321 -11.395 5.231 1.00 0.00 O ATOM 959 CB LEU A 67 7.051 -10.059 7.660 1.00 0.00 C ATOM 960 CG LEU A 67 7.483 -9.034 8.706 1.00 0.00 C ATOM 961 CD1 LEU A 67 6.541 -9.113 9.909 1.00 0.00 C ATOM 962 CD2 LEU A 67 8.911 -9.342 9.161 1.00 0.00 C ATOM 0 H LEU A 67 5.961 -8.397 6.104 1.00 0.00 H new ATOM 0 HA LEU A 67 8.680 -9.450 6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.963 -10.108 7.613 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.402 -11.051 7.943 1.00 0.00 H new ATOM 0 HG LEU A 67 7.445 -8.034 8.275 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.846 -8.383 10.658 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.522 -8.899 9.588 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.583 -10.114 10.339 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.221 -8.611 9.908 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.947 -10.341 9.595 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.584 -9.294 8.305 1.00 0.00 H new ATOM 974 N PRO A 68 8.457 -11.265 4.645 1.00 0.00 N ATOM 975 CA PRO A 68 8.372 -12.410 3.695 1.00 0.00 C ATOM 976 C PRO A 68 7.863 -13.673 4.379 1.00 0.00 C ATOM 977 O PRO A 68 8.194 -13.939 5.534 1.00 0.00 O ATOM 978 CB PRO A 68 9.808 -12.616 3.204 1.00 0.00 C ATOM 979 CG PRO A 68 10.563 -11.379 3.562 1.00 0.00 C ATOM 980 CD PRO A 68 9.809 -10.687 4.694 1.00 0.00 C ATOM 0 HA PRO A 68 7.673 -12.204 2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.256 -13.492 3.673 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.829 -12.785 2.127 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.578 -11.627 3.874 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.647 -10.719 2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.284 -10.871 5.658 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.784 -9.607 4.552 1.00 0.00 H new ATOM 988 N GLY A 69 7.067 -14.454 3.660 1.00 0.00 N ATOM 989 CA GLY A 69 6.531 -15.693 4.215 1.00 0.00 C ATOM 990 C GLY A 69 5.345 -15.420 5.134 1.00 0.00 C ATOM 991 O GLY A 69 4.965 -16.272 5.937 1.00 0.00 O ATOM 0 H GLY A 69 6.780 -14.256 2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.222 -16.353 3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.312 -16.213 4.770 1.00 0.00 H new ATOM 995 N ARG A 70 4.763 -14.233 5.011 1.00 0.00 N ATOM 996 CA ARG A 70 3.618 -13.863 5.838 1.00 0.00 C ATOM 997 C ARG A 70 2.449 -13.434 4.966 1.00 0.00 C ATOM 998 O ARG A 70 2.641 -12.916 3.866 1.00 0.00 O ATOM 999 CB ARG A 70 3.998 -12.717 6.778 1.00 0.00 C ATOM 1000 CG ARG A 70 5.117 -13.165 7.714 1.00 0.00 C ATOM 1001 CD ARG A 70 4.516 -13.947 8.881 1.00 0.00 C ATOM 1002 NE ARG A 70 4.291 -13.064 10.020 1.00 0.00 N ATOM 1003 CZ ARG A 70 5.308 -12.583 10.730 1.00 0.00 C ATOM 1004 NH1 ARG A 70 6.533 -12.899 10.417 1.00 0.00 N ATOM 1005 NH2 ARG A 70 5.079 -11.790 11.740 1.00 0.00 N ATOM 0 H ARG A 70 5.061 -13.514 4.352 1.00 0.00 H new ATOM 0 HA ARG A 70 3.323 -14.732 6.426 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.320 -11.851 6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.129 -12.407 7.358 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.831 -13.787 7.174 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.665 -12.299 8.085 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.575 -14.404 8.575 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.186 -14.758 9.168 1.00 0.00 H new ATOM 0 HE ARG A 70 3.337 -12.811 10.277 1.00 0.00 H new ATOM 0 HH11 ARG A 70 6.714 -13.517 9.626 1.00 0.00 H new ATOM 0 HH12 ARG A 70 7.311 -12.529 10.963 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.121 -11.539 11.985 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.858 -11.421 12.285 1.00 0.00 H new ATOM 1019 N LYS A 71 1.238 -13.638 5.467 1.00 0.00 N ATOM 1020 CA LYS A 71 0.051 -13.255 4.729 1.00 0.00 C ATOM 1021 C LYS A 71 -0.478 -11.926 5.253 1.00 0.00 C ATOM 1022 O LYS A 71 -0.615 -11.734 6.461 1.00 0.00 O ATOM 1023 CB LYS A 71 -1.019 -14.338 4.860 1.00 0.00 C ATOM 1024 CG LYS A 71 -2.152 -14.051 3.875 1.00 0.00 C ATOM 1025 CD LYS A 71 -3.240 -15.118 4.015 1.00 0.00 C ATOM 1026 CE LYS A 71 -4.220 -15.002 2.848 1.00 0.00 C ATOM 1027 NZ LYS A 71 -4.962 -16.284 2.692 1.00 0.00 N ATOM 0 H LYS A 71 1.056 -14.064 6.376 1.00 0.00 H new ATOM 0 HA LYS A 71 0.307 -13.142 3.676 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -0.587 -15.318 4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.405 -14.362 5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.571 -13.063 4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.767 -14.042 2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.791 -16.111 4.029 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.767 -14.993 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.919 -14.185 3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.682 -14.767 1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.629 -16.205 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.289 -17.054 2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.487 -16.490 3.566 1.00 0.00 H new ATOM 1041 N TYR A 72 -0.768 -11.013 4.339 1.00 0.00 N ATOM 1042 CA TYR A 72 -1.277 -9.696 4.716 1.00 0.00 C ATOM 1043 C TYR A 72 -2.666 -9.448 4.137 1.00 0.00 C ATOM 1044 O TYR A 72 -3.015 -9.970 3.079 1.00 0.00 O ATOM 1045 CB TYR A 72 -0.357 -8.594 4.190 1.00 0.00 C ATOM 1046 CG TYR A 72 0.937 -8.542 4.966 1.00 0.00 C ATOM 1047 CD1 TYR A 72 1.991 -9.405 4.641 1.00 0.00 C ATOM 1048 CD2 TYR A 72 1.088 -7.612 6.003 1.00 0.00 C ATOM 1049 CE1 TYR A 72 3.195 -9.337 5.355 1.00 0.00 C ATOM 1050 CE2 TYR A 72 2.292 -7.543 6.715 1.00 0.00 C ATOM 1051 CZ TYR A 72 3.344 -8.407 6.393 1.00 0.00 C ATOM 1052 OH TYR A 72 4.531 -8.340 7.096 1.00 0.00 O ATOM 0 H TYR A 72 -0.662 -11.155 3.335 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.321 -9.676 5.805 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.144 -8.768 3.135 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.863 -7.631 4.258 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.876 -10.122 3.841 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.275 -6.947 6.254 1.00 0.00 H new ATOM 0 HE1 TYR A 72 4.009 -10.002 5.105 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.408 -6.823 7.512 1.00 0.00 H new ATOM 0 HH TYR A 72 4.467 -7.641 7.780 1.00 0.00 H new ATOM 1062 N ILE A 73 -3.430 -8.604 4.819 1.00 0.00 N ATOM 1063 CA ILE A 73 -4.759 -8.229 4.354 1.00 0.00 C ATOM 1064 C ILE A 73 -4.712 -6.781 3.914 1.00 0.00 C ATOM 1065 O ILE A 73 -4.275 -5.924 4.671 1.00 0.00 O ATOM 1066 CB ILE A 73 -5.785 -8.379 5.474 1.00 0.00 C ATOM 1067 CG1 ILE A 73 -5.789 -9.821 5.958 1.00 0.00 C ATOM 1068 CG2 ILE A 73 -7.173 -8.010 4.951 1.00 0.00 C ATOM 1069 CD1 ILE A 73 -6.728 -9.957 7.158 1.00 0.00 C ATOM 0 H ILE A 73 -3.152 -8.166 5.697 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.052 -8.879 3.529 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.525 -7.716 6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.111 -10.484 5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.780 -10.124 6.237 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.904 -8.118 5.752 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.167 -6.978 4.601 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.439 -8.671 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.730 -10.991 7.503 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.387 -9.306 7.963 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.738 -9.671 6.864 1.00 0.00 H new ATOM 1081 N VAL A 74 -5.148 -6.506 2.698 1.00 0.00 N ATOM 1082 CA VAL A 74 -5.121 -5.137 2.206 1.00 0.00 C ATOM 1083 C VAL A 74 -6.522 -4.638 1.900 1.00 0.00 C ATOM 1084 O VAL A 74 -7.319 -5.324 1.260 1.00 0.00 O ATOM 1085 CB VAL A 74 -4.257 -5.041 0.948 1.00 0.00 C ATOM 1086 CG1 VAL A 74 -4.158 -3.577 0.507 1.00 0.00 C ATOM 1087 CG2 VAL A 74 -2.853 -5.575 1.253 1.00 0.00 C ATOM 0 H VAL A 74 -5.518 -7.195 2.043 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.692 -4.511 2.988 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.708 -5.632 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.542 -3.508 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.155 -3.193 0.293 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.706 -2.987 1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.236 -5.507 0.357 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.403 -4.982 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.920 -6.616 1.569 1.00 0.00 H new ATOM 1097 N ASN A 75 -6.806 -3.428 2.358 1.00 0.00 N ATOM 1098 CA ASN A 75 -8.104 -2.819 2.130 1.00 0.00 C ATOM 1099 C ASN A 75 -7.918 -1.383 1.671 1.00 0.00 C ATOM 1100 O ASN A 75 -7.230 -0.600 2.326 1.00 0.00 O ATOM 1101 CB ASN A 75 -8.926 -2.842 3.419 1.00 0.00 C ATOM 1102 CG ASN A 75 -8.946 -4.253 3.996 1.00 0.00 C ATOM 1103 OD1 ASN A 75 -9.699 -5.107 3.527 1.00 0.00 O ATOM 1104 ND2 ASN A 75 -8.154 -4.549 4.988 1.00 0.00 N ATOM 0 H ASN A 75 -6.154 -2.850 2.889 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.632 -3.382 1.361 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.500 -2.149 4.145 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.944 -2.507 3.218 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.156 -5.491 5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.532 -3.838 5.373 1.00 0.00 H new ATOM 1111 N VAL A 76 -8.528 -1.037 0.550 1.00 0.00 N ATOM 1112 CA VAL A 76 -8.408 0.316 0.031 1.00 0.00 C ATOM 1113 C VAL A 76 -9.693 1.089 0.267 1.00 0.00 C ATOM 1114 O VAL A 76 -10.776 0.651 -0.121 1.00 0.00 O ATOM 1115 CB VAL A 76 -8.111 0.286 -1.466 1.00 0.00 C ATOM 1116 CG1 VAL A 76 -7.815 1.705 -1.954 1.00 0.00 C ATOM 1117 CG2 VAL A 76 -6.898 -0.609 -1.731 1.00 0.00 C ATOM 0 H VAL A 76 -9.104 -1.664 -0.012 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.588 0.808 0.554 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.975 -0.110 -1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.603 1.685 -3.023 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.680 2.342 -1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.951 2.101 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.687 -0.629 -2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.032 -0.216 -1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.109 -1.620 -1.384 1.00 0.00 H new ATOM 1127 N TYR A 77 -9.562 2.254 0.886 1.00 0.00 N ATOM 1128 CA TYR A 77 -10.711 3.098 1.150 1.00 0.00 C ATOM 1129 C TYR A 77 -10.527 4.429 0.447 1.00 0.00 C ATOM 1130 O TYR A 77 -9.429 4.982 0.435 1.00 0.00 O ATOM 1131 CB TYR A 77 -10.865 3.342 2.654 1.00 0.00 C ATOM 1132 CG TYR A 77 -10.926 2.020 3.380 1.00 0.00 C ATOM 1133 CD1 TYR A 77 -12.146 1.348 3.518 1.00 0.00 C ATOM 1134 CD2 TYR A 77 -9.758 1.464 3.916 1.00 0.00 C ATOM 1135 CE1 TYR A 77 -12.200 0.122 4.191 1.00 0.00 C ATOM 1136 CE2 TYR A 77 -9.811 0.237 4.588 1.00 0.00 C ATOM 1137 CZ TYR A 77 -11.031 -0.435 4.726 1.00 0.00 C ATOM 1138 OH TYR A 77 -11.083 -1.645 5.389 1.00 0.00 O ATOM 0 H TYR A 77 -8.673 2.632 1.213 1.00 0.00 H new ATOM 0 HA TYR A 77 -11.606 2.597 0.780 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -10.027 3.933 3.024 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -11.771 3.917 2.848 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -13.047 1.776 3.105 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.816 1.982 3.811 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -13.142 -0.395 4.298 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.909 -0.192 5.000 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.185 -1.889 5.696 1.00 0.00 H new ATOM 1148 N GLN A 78 -11.594 4.952 -0.128 1.00 0.00 N ATOM 1149 CA GLN A 78 -11.502 6.231 -0.809 1.00 0.00 C ATOM 1150 C GLN A 78 -12.153 7.296 0.057 1.00 0.00 C ATOM 1151 O GLN A 78 -13.209 7.069 0.649 1.00 0.00 O ATOM 1152 CB GLN A 78 -12.188 6.156 -2.171 1.00 0.00 C ATOM 1153 CG GLN A 78 -13.678 6.458 -2.016 1.00 0.00 C ATOM 1154 CD GLN A 78 -14.449 5.903 -3.210 1.00 0.00 C ATOM 1155 OE1 GLN A 78 -13.801 5.357 -4.206 1.00 0.00 O flip ATOM 1156 NE2 GLN A 78 -15.678 5.970 -3.238 1.00 0.00 N flip ATOM 0 H GLN A 78 -12.518 4.521 -0.138 1.00 0.00 H new ATOM 0 HA GLN A 78 -10.455 6.486 -0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -11.732 6.869 -2.858 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -12.051 5.165 -2.603 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -14.053 6.016 -1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -13.834 7.534 -1.940 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -16.183 6.396 -2.461 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -16.191 5.600 -4.038 1.00 0.00 H new ATOM 1165 N ILE A 79 -11.503 8.444 0.158 1.00 0.00 N ATOM 1166 CA ILE A 79 -12.008 9.523 0.987 1.00 0.00 C ATOM 1167 C ILE A 79 -12.708 10.580 0.148 1.00 0.00 C ATOM 1168 O ILE A 79 -12.132 11.129 -0.790 1.00 0.00 O ATOM 1169 CB ILE A 79 -10.836 10.153 1.728 1.00 0.00 C ATOM 1170 CG1 ILE A 79 -10.050 9.045 2.426 1.00 0.00 C ATOM 1171 CG2 ILE A 79 -11.353 11.146 2.769 1.00 0.00 C ATOM 1172 CD1 ILE A 79 -8.728 9.601 2.941 1.00 0.00 C ATOM 0 H ILE A 79 -10.627 8.651 -0.323 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.735 9.119 1.691 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.195 10.682 1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.632 8.639 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.865 8.224 1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.510 11.593 3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -11.927 11.928 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.992 10.625 3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.169 8.808 3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.145 9.986 2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.923 10.407 3.649 1.00 0.00 H new ATOM 1184 N SER A 80 -13.952 10.857 0.502 1.00 0.00 N ATOM 1185 CA SER A 80 -14.736 11.850 -0.209 1.00 0.00 C ATOM 1186 C SER A 80 -14.457 13.241 0.347 1.00 0.00 C ATOM 1187 O SER A 80 -13.777 13.390 1.363 1.00 0.00 O ATOM 1188 CB SER A 80 -16.221 11.527 -0.072 1.00 0.00 C ATOM 1189 OG SER A 80 -16.675 11.944 1.206 1.00 0.00 O ATOM 0 H SER A 80 -14.439 10.408 1.277 1.00 0.00 H new ATOM 0 HA SER A 80 -14.457 11.831 -1.263 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.788 12.031 -0.855 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.385 10.457 -0.198 1.00 0.00 H new ATOM 0 HG SER A 80 -15.915 11.992 1.823 1.00 0.00 H new ATOM 1195 N GLU A 81 -14.985 14.256 -0.323 1.00 0.00 N ATOM 1196 CA GLU A 81 -14.788 15.631 0.114 1.00 0.00 C ATOM 1197 C GLU A 81 -15.317 15.836 1.530 1.00 0.00 C ATOM 1198 O GLU A 81 -14.944 16.796 2.203 1.00 0.00 O ATOM 1199 CB GLU A 81 -15.500 16.593 -0.838 1.00 0.00 C ATOM 1200 CG GLU A 81 -14.773 16.622 -2.183 1.00 0.00 C ATOM 1201 CD GLU A 81 -15.393 17.686 -3.083 1.00 0.00 C ATOM 1202 OE1 GLU A 81 -16.394 18.261 -2.686 1.00 0.00 O ATOM 1203 OE2 GLU A 81 -14.856 17.915 -4.155 1.00 0.00 O ATOM 0 H GLU A 81 -15.550 14.155 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 81 -13.717 15.835 0.108 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -16.534 16.280 -0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.526 17.594 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -13.715 16.834 -2.030 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -14.837 15.645 -2.662 1.00 0.00 H new ATOM 1210 N ASP A 82 -16.190 14.939 1.978 1.00 0.00 N ATOM 1211 CA ASP A 82 -16.756 15.059 3.318 1.00 0.00 C ATOM 1212 C ASP A 82 -15.931 14.275 4.339 1.00 0.00 C ATOM 1213 O ASP A 82 -16.225 14.302 5.534 1.00 0.00 O ATOM 1214 CB ASP A 82 -18.199 14.551 3.322 1.00 0.00 C ATOM 1215 CG ASP A 82 -18.221 13.047 3.079 1.00 0.00 C ATOM 1216 OD1 ASP A 82 -17.193 12.423 3.276 1.00 0.00 O ATOM 1217 OD2 ASP A 82 -19.267 12.543 2.703 1.00 0.00 O ATOM 0 H ASP A 82 -16.517 14.134 1.444 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.738 16.112 3.599 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.672 14.781 4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -18.775 15.061 2.550 1.00 0.00 H new ATOM 1222 N GLY A 83 -14.892 13.588 3.868 1.00 0.00 N ATOM 1223 CA GLY A 83 -14.028 12.818 4.762 1.00 0.00 C ATOM 1224 C GLY A 83 -14.566 11.410 5.017 1.00 0.00 C ATOM 1225 O GLY A 83 -14.102 10.722 5.926 1.00 0.00 O ATOM 0 H GLY A 83 -14.629 13.548 2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.030 12.750 4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.930 13.345 5.711 1.00 0.00 H new ATOM 1229 N GLU A 84 -15.536 10.979 4.220 1.00 0.00 N ATOM 1230 CA GLU A 84 -16.102 9.643 4.390 1.00 0.00 C ATOM 1231 C GLU A 84 -15.264 8.596 3.666 1.00 0.00 C ATOM 1232 O GLU A 84 -14.757 8.840 2.571 1.00 0.00 O ATOM 1233 CB GLU A 84 -17.537 9.607 3.865 1.00 0.00 C ATOM 1234 CG GLU A 84 -18.451 10.353 4.836 1.00 0.00 C ATOM 1235 CD GLU A 84 -18.462 9.641 6.185 1.00 0.00 C ATOM 1236 OE1 GLU A 84 -18.017 8.506 6.236 1.00 0.00 O ATOM 1237 OE2 GLU A 84 -18.917 10.239 7.145 1.00 0.00 O ATOM 0 H GLU A 84 -15.943 11.524 3.460 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.100 9.411 5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.586 10.065 2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -17.870 8.575 3.755 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -18.106 11.380 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -19.462 10.403 4.432 1.00 0.00 H new ATOM 1244 N GLN A 85 -15.129 7.426 4.284 1.00 0.00 N ATOM 1245 CA GLN A 85 -14.356 6.343 3.687 1.00 0.00 C ATOM 1246 C GLN A 85 -15.273 5.222 3.208 1.00 0.00 C ATOM 1247 O GLN A 85 -16.237 4.865 3.883 1.00 0.00 O ATOM 1248 CB GLN A 85 -13.358 5.781 4.700 1.00 0.00 C ATOM 1249 CG GLN A 85 -12.201 6.760 4.877 1.00 0.00 C ATOM 1250 CD GLN A 85 -11.158 6.168 5.821 1.00 0.00 C ATOM 1251 OE1 GLN A 85 -9.950 5.940 5.385 1.00 0.00 O flip ATOM 1252 NE2 GLN A 85 -11.455 5.901 6.987 1.00 0.00 N flip ATOM 0 H GLN A 85 -15.541 7.205 5.190 1.00 0.00 H new ATOM 0 HA GLN A 85 -13.816 6.749 2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -13.852 5.610 5.656 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.982 4.816 4.359 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.747 6.978 3.910 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -12.571 7.705 5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -12.400 6.080 7.326 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.756 5.501 7.613 1.00 0.00 H new ATOM 1261 N SER A 86 -14.953 4.664 2.045 1.00 0.00 N ATOM 1262 CA SER A 86 -15.742 3.574 1.486 1.00 0.00 C ATOM 1263 C SER A 86 -14.817 2.499 0.926 1.00 0.00 C ATOM 1264 O SER A 86 -13.809 2.810 0.289 1.00 0.00 O ATOM 1265 CB SER A 86 -16.653 4.097 0.377 1.00 0.00 C ATOM 1266 OG SER A 86 -17.672 3.140 0.112 1.00 0.00 O ATOM 0 H SER A 86 -14.157 4.947 1.474 1.00 0.00 H new ATOM 0 HA SER A 86 -16.357 3.144 2.277 1.00 0.00 H new ATOM 0 HB2 SER A 86 -17.099 5.046 0.675 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.073 4.287 -0.526 1.00 0.00 H new ATOM 0 HG SER A 86 -18.258 3.475 -0.598 1.00 0.00 H new ATOM 1272 N LEU A 87 -15.152 1.239 1.174 1.00 0.00 N ATOM 1273 CA LEU A 87 -14.325 0.140 0.690 1.00 0.00 C ATOM 1274 C LEU A 87 -14.488 -0.058 -0.811 1.00 0.00 C ATOM 1275 O LEU A 87 -15.580 -0.359 -1.294 1.00 0.00 O ATOM 1276 CB LEU A 87 -14.696 -1.156 1.411 1.00 0.00 C ATOM 1277 CG LEU A 87 -13.757 -2.273 0.950 1.00 0.00 C ATOM 1278 CD1 LEU A 87 -12.308 -1.861 1.213 1.00 0.00 C ATOM 1279 CD2 LEU A 87 -14.071 -3.552 1.729 1.00 0.00 C ATOM 0 H LEU A 87 -15.978 0.955 1.700 1.00 0.00 H new ATOM 0 HA LEU A 87 -13.285 0.394 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.619 -1.021 2.490 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -15.731 -1.422 1.196 1.00 0.00 H new ATOM 0 HG LEU A 87 -13.897 -2.450 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.638 -2.656 0.885 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.084 -0.947 0.662 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.168 -1.685 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.404 -4.350 1.403 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.929 -3.373 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.104 -3.846 1.545 1.00 0.00 H new ATOM 1291 N ILE A 88 -13.391 0.105 -1.542 1.00 0.00 N ATOM 1292 CA ILE A 88 -13.420 -0.066 -2.987 1.00 0.00 C ATOM 1293 C ILE A 88 -12.643 -1.313 -3.391 1.00 0.00 C ATOM 1294 O ILE A 88 -12.877 -1.881 -4.459 1.00 0.00 O ATOM 1295 CB ILE A 88 -12.819 1.159 -3.674 1.00 0.00 C ATOM 1296 CG1 ILE A 88 -11.339 1.275 -3.305 1.00 0.00 C ATOM 1297 CG2 ILE A 88 -13.564 2.414 -3.219 1.00 0.00 C ATOM 1298 CD1 ILE A 88 -10.698 2.401 -4.117 1.00 0.00 C ATOM 0 H ILE A 88 -12.478 0.353 -1.160 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.458 -0.180 -3.300 1.00 0.00 H new ATOM 0 HB ILE A 88 -12.914 1.055 -4.755 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -11.234 1.476 -2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -10.829 0.333 -3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.136 3.289 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -14.618 2.328 -3.485 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -13.470 2.521 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -9.643 2.484 -3.854 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -10.791 2.181 -5.181 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -11.202 3.342 -3.896 1.00 0.00 H new ATOM 1310 N LEU A 89 -11.720 -1.739 -2.535 1.00 0.00 N ATOM 1311 CA LEU A 89 -10.928 -2.926 -2.831 1.00 0.00 C ATOM 1312 C LEU A 89 -10.391 -3.576 -1.560 1.00 0.00 C ATOM 1313 O LEU A 89 -9.702 -2.939 -0.763 1.00 0.00 O ATOM 1314 CB LEU A 89 -9.754 -2.576 -3.744 1.00 0.00 C ATOM 1315 CG LEU A 89 -9.039 -3.869 -4.141 1.00 0.00 C ATOM 1316 CD1 LEU A 89 -9.918 -4.657 -5.116 1.00 0.00 C ATOM 1317 CD2 LEU A 89 -7.703 -3.541 -4.809 1.00 0.00 C ATOM 0 H LEU A 89 -11.505 -1.289 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.589 -3.633 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.109 -2.052 -4.632 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.064 -1.905 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.855 -4.467 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.410 -5.579 -5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -10.867 -4.898 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.103 -4.056 -6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.199 -4.466 -5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.880 -2.940 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.076 -2.983 -4.114 1.00 0.00 H new ATOM 1329 N SER A 90 -10.690 -4.858 -1.401 1.00 0.00 N ATOM 1330 CA SER A 90 -10.217 -5.616 -0.251 1.00 0.00 C ATOM 1331 C SER A 90 -9.677 -6.957 -0.734 1.00 0.00 C ATOM 1332 O SER A 90 -10.408 -7.745 -1.335 1.00 0.00 O ATOM 1333 CB SER A 90 -11.359 -5.839 0.741 1.00 0.00 C ATOM 1334 OG SER A 90 -10.850 -6.461 1.913 1.00 0.00 O ATOM 0 H SER A 90 -11.259 -5.396 -2.055 1.00 0.00 H new ATOM 0 HA SER A 90 -9.427 -5.060 0.253 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.826 -4.888 0.994 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.131 -6.463 0.290 1.00 0.00 H new ATOM 0 HG SER A 90 -10.595 -5.774 2.564 1.00 0.00 H new ATOM 1340 N THR A 91 -8.395 -7.211 -0.495 1.00 0.00 N ATOM 1341 CA THR A 91 -7.794 -8.459 -0.944 1.00 0.00 C ATOM 1342 C THR A 91 -6.603 -8.848 -0.076 1.00 0.00 C ATOM 1343 O THR A 91 -5.955 -7.995 0.529 1.00 0.00 O ATOM 1344 CB THR A 91 -7.348 -8.309 -2.401 1.00 0.00 C ATOM 1345 OG1 THR A 91 -7.069 -9.591 -2.947 1.00 0.00 O ATOM 1346 CG2 THR A 91 -6.094 -7.437 -2.473 1.00 0.00 C ATOM 0 H THR A 91 -7.762 -6.581 -0.002 1.00 0.00 H new ATOM 0 HA THR A 91 -8.540 -9.250 -0.861 1.00 0.00 H new ATOM 0 HB THR A 91 -8.146 -7.836 -2.974 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.785 -9.494 -3.880 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.782 -7.334 -3.512 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.312 -6.452 -2.060 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.294 -7.903 -1.898 1.00 0.00 H new ATOM 1354 N SER A 92 -6.318 -10.143 -0.031 1.00 0.00 N ATOM 1355 CA SER A 92 -5.197 -10.648 0.753 1.00 0.00 C ATOM 1356 C SER A 92 -4.165 -11.290 -0.163 1.00 0.00 C ATOM 1357 O SER A 92 -4.491 -11.757 -1.255 1.00 0.00 O ATOM 1358 CB SER A 92 -5.685 -11.686 1.765 1.00 0.00 C ATOM 1359 OG SER A 92 -6.096 -12.858 1.071 1.00 0.00 O ATOM 0 H SER A 92 -6.846 -10.862 -0.527 1.00 0.00 H new ATOM 0 HA SER A 92 -4.742 -9.811 1.283 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.889 -11.926 2.470 1.00 0.00 H new ATOM 0 HB3 SER A 92 -6.515 -11.283 2.346 1.00 0.00 H new ATOM 0 HG SER A 92 -6.554 -13.462 1.692 1.00 0.00 H new ATOM 1365 N GLN A 93 -2.923 -11.325 0.296 1.00 0.00 N ATOM 1366 CA GLN A 93 -1.850 -11.930 -0.477 1.00 0.00 C ATOM 1367 C GLN A 93 -0.851 -12.600 0.447 1.00 0.00 C ATOM 1368 O GLN A 93 -0.837 -12.352 1.652 1.00 0.00 O ATOM 1369 CB GLN A 93 -1.121 -10.883 -1.315 1.00 0.00 C ATOM 1370 CG GLN A 93 -2.076 -10.248 -2.324 1.00 0.00 C ATOM 1371 CD GLN A 93 -1.283 -9.357 -3.275 1.00 0.00 C ATOM 1372 OE1 GLN A 93 0.008 -9.237 -3.110 1.00 0.00 O flip ATOM 1373 NE2 GLN A 93 -1.850 -8.760 -4.190 1.00 0.00 N flip ATOM 0 H GLN A 93 -2.634 -10.943 1.197 1.00 0.00 H new ATOM 0 HA GLN A 93 -2.297 -12.670 -1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -0.705 -10.113 -0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -0.284 -11.345 -1.838 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -2.600 -11.023 -2.884 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.835 -9.662 -1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.858 -8.857 -4.315 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.312 -8.169 -4.823 1.00 0.00 H new ATOM 1382 N THR A 94 -0.013 -13.444 -0.128 1.00 0.00 N ATOM 1383 CA THR A 94 0.994 -14.138 0.647 1.00 0.00 C ATOM 1384 C THR A 94 2.377 -13.828 0.088 1.00 0.00 C ATOM 1385 O THR A 94 2.730 -14.271 -1.005 1.00 0.00 O ATOM 1386 CB THR A 94 0.726 -15.640 0.596 1.00 0.00 C ATOM 1387 OG1 THR A 94 -0.635 -15.860 0.246 1.00 0.00 O ATOM 1388 CG2 THR A 94 1.010 -16.259 1.965 1.00 0.00 C ATOM 0 H THR A 94 -0.011 -13.663 -1.124 1.00 0.00 H new ATOM 0 HA THR A 94 0.953 -13.804 1.684 1.00 0.00 H new ATOM 0 HB THR A 94 1.375 -16.102 -0.148 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.812 -16.823 0.210 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.818 -17.331 1.926 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.052 -16.086 2.233 1.00 0.00 H new ATOM 0 HG23 THR A 94 0.362 -15.801 2.713 1.00 0.00 H new ATOM 1396 N THR A 95 3.155 -13.055 0.841 1.00 0.00 N ATOM 1397 CA THR A 95 4.493 -12.683 0.400 1.00 0.00 C ATOM 1398 C THR A 95 5.206 -13.887 -0.209 1.00 0.00 C ATOM 1399 O THR A 95 4.775 -14.999 0.049 1.00 0.00 O ATOM 1400 CB THR A 95 5.310 -12.154 1.583 1.00 0.00 C ATOM 1401 OG1 THR A 95 5.445 -13.179 2.556 1.00 0.00 O ATOM 1402 CG2 THR A 95 4.603 -10.946 2.207 1.00 0.00 C ATOM 1403 OXT THR A 95 6.175 -13.677 -0.920 1.00 0.00 O ATOM 0 H THR A 95 2.885 -12.678 1.750 1.00 0.00 H new ATOM 0 HA THR A 95 4.401 -11.902 -0.355 1.00 0.00 H new ATOM 0 HB THR A 95 6.296 -11.848 1.232 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.789 -13.885 2.380 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.190 -10.575 3.048 1.00 0.00 H new ATOM 0 HG22 THR A 95 4.501 -10.159 1.460 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.615 -11.244 2.558 1.00 0.00 H new TER 1411 THR A 95