USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1057 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 NoAdj-H: B 99 HIS HD1 : B 99 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 102 HIS HD1 : B 102 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 129 HIS HD1 : B 129 HIS ND1 : B 139 ZNZN :(H bumps) USER MOD Set 1.1: A 48 ASN : amide:sc= -26.3! C(o=-27!,f=-20!) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.978 K(o=-27,f=-25) USER MOD Set 2.1: A 31 MET CE :methyl -158:sc= -1.23 (180deg=-3.26!) USER MOD Set 2.2: A 46 CYS SG : rot 12:sc= 0.681 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -174:sc= -0.324 (180deg=-0.457) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -1.01 X(o=-1,f=-1.3) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot -125:sc= 1.09 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 165:sc= -2.7 USER MOD Single : A 19 THR OG1 : rot -160:sc= -1.01 USER MOD Single : A 24 ASN : amide:sc= -1.99 K(o=-2,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc=-0.00983 (180deg=-0.16) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -148:sc= -16.3! (180deg=-18.6!) USER MOD Single : A 39 ASN : amide:sc= -0.0459 K(o=-0.046,f=-2.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -8.76! K(o=-8.8!,f=-3) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -64:sc= -2.98! USER MOD Single : A 71 HIS : no HD1:sc= -0.872 K(o=-0.87,f=-2!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 92 ASN : amide:sc= -4.03! K(o=-4!,f=-0.35) USER MOD Single : B 94 MET CE :methyl -158:sc= -1.2 (180deg=-3.24!) USER MOD Single : B 96 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.115) USER MOD Single : B 97 GLN : amide:sc= -7.04! K(o=-7!,f=-1.8) USER MOD Single : B 107 LYS NZ :NH3+ -145:sc= -1.14 (180deg=-2.77!) USER MOD Single : B 110 LYS NZ :NH3+ 159:sc= -0.212 (180deg=-0.906) USER MOD Single : B 115 HIS : no HD1:sc= -1.8 K(o=-1.8,f=-0.6) USER MOD Single : B 117 HIS : no HD1:sc= -0.5 K(o=-0.5,f=-1.1) USER MOD Single : B 118 TYR OH : rot 0:sc= -0.724 USER MOD Single : B 121 LYS NZ :NH3+ -164:sc=-0.000699 (180deg=-0.216) USER MOD Single : B 125 TYR OH : rot 150:sc= 0 USER MOD Single : B 128 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 TYR OH : rot -106:sc= 0.803 USER MOD Single : B 131 ASN : amide:sc= -0.611 K(o=-0.61,f=-5.6!) USER MOD Single : B 132 GLN : amide:sc= -0.715 K(o=-0.71,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -11.222 -10.571 -28.033 1.00 0.00 N ATOM 2 CA GLN A 1 -10.020 -10.118 -28.784 1.00 0.00 C ATOM 3 C GLN A 1 -9.115 -9.303 -27.858 1.00 0.00 C ATOM 4 O GLN A 1 -8.136 -8.723 -28.282 1.00 0.00 O ATOM 5 CB GLN A 1 -10.452 -9.248 -29.966 1.00 0.00 C ATOM 6 CG GLN A 1 -11.399 -10.045 -30.866 1.00 0.00 C ATOM 7 CD GLN A 1 -11.590 -9.302 -32.191 1.00 0.00 C ATOM 8 OE1 GLN A 1 -11.095 -9.726 -33.215 1.00 0.00 O ATOM 9 NE2 GLN A 1 -12.294 -8.205 -32.213 1.00 0.00 N ATOM 0 H1 GLN A 1 -11.786 -11.208 -28.631 1.00 0.00 H new ATOM 0 H2 GLN A 1 -10.925 -11.076 -27.174 1.00 0.00 H new ATOM 0 H3 GLN A 1 -11.797 -9.746 -27.768 1.00 0.00 H new ATOM 0 HA GLN A 1 -9.476 -10.988 -29.152 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -10.948 -8.347 -29.606 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -9.579 -8.926 -30.533 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -10.992 -11.039 -31.050 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -12.361 -10.180 -30.371 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -12.710 -7.849 -31.353 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -12.429 -7.703 -33.091 1.00 0.00 H new ATOM 20 N GLY A 2 -9.436 -9.254 -26.592 1.00 0.00 N ATOM 21 CA GLY A 2 -8.595 -8.477 -25.640 1.00 0.00 C ATOM 22 C GLY A 2 -9.005 -8.810 -24.206 1.00 0.00 C ATOM 23 O GLY A 2 -9.653 -8.029 -23.537 1.00 0.00 O ATOM 0 H GLY A 2 -10.244 -9.719 -26.178 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -7.542 -8.714 -25.792 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -8.712 -7.409 -25.824 1.00 0.00 H new ATOM 27 N SER A 3 -8.631 -9.965 -23.724 1.00 0.00 N ATOM 28 CA SER A 3 -9.000 -10.344 -22.332 1.00 0.00 C ATOM 29 C SER A 3 -8.101 -11.487 -21.859 1.00 0.00 C ATOM 30 O SER A 3 -8.525 -12.359 -21.126 1.00 0.00 O ATOM 31 CB SER A 3 -10.461 -10.796 -22.297 1.00 0.00 C ATOM 32 OG SER A 3 -10.610 -11.958 -23.103 1.00 0.00 O ATOM 0 H SER A 3 -8.087 -10.661 -24.234 1.00 0.00 H new ATOM 0 HA SER A 3 -8.870 -9.484 -21.675 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.764 -11.009 -21.272 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.109 -10.000 -22.662 1.00 0.00 H new ATOM 0 HG SER A 3 -11.544 -12.253 -23.082 1.00 0.00 H new ATOM 38 N ARG A 4 -6.862 -11.487 -22.266 1.00 0.00 N ATOM 39 CA ARG A 4 -5.937 -12.571 -21.832 1.00 0.00 C ATOM 40 C ARG A 4 -5.574 -12.362 -20.361 1.00 0.00 C ATOM 41 O ARG A 4 -5.512 -11.249 -19.880 1.00 0.00 O ATOM 42 CB ARG A 4 -4.665 -12.530 -22.685 1.00 0.00 C ATOM 43 CG ARG A 4 -3.726 -13.664 -22.262 1.00 0.00 C ATOM 44 CD ARG A 4 -2.496 -13.692 -23.174 1.00 0.00 C ATOM 45 NE ARG A 4 -2.916 -13.608 -24.615 1.00 0.00 N ATOM 46 CZ ARG A 4 -3.741 -14.474 -25.143 1.00 0.00 C ATOM 47 NH1 ARG A 4 -4.091 -15.542 -24.483 1.00 0.00 N ATOM 48 NH2 ARG A 4 -4.172 -14.296 -26.361 1.00 0.00 N ATOM 0 H ARG A 4 -6.450 -10.784 -22.880 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.422 -13.539 -21.955 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.919 -12.629 -23.740 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.166 -11.568 -22.566 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.418 -13.525 -21.226 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.249 -14.619 -22.313 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.835 -12.860 -22.931 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -1.930 -14.608 -23.005 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.547 -12.855 -25.196 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.721 -15.707 -23.547 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -4.735 -16.212 -24.902 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.865 -13.484 -26.897 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -4.816 -14.969 -26.778 1.00 0.00 H new ATOM 62 N VAL A 5 -5.334 -13.423 -19.640 1.00 0.00 N ATOM 63 CA VAL A 5 -4.975 -13.273 -18.202 1.00 0.00 C ATOM 64 C VAL A 5 -3.619 -12.571 -18.090 1.00 0.00 C ATOM 65 O VAL A 5 -2.580 -13.199 -18.116 1.00 0.00 O ATOM 66 CB VAL A 5 -4.894 -14.655 -17.553 1.00 0.00 C ATOM 67 CG1 VAL A 5 -4.671 -14.499 -16.047 1.00 0.00 C ATOM 68 CG2 VAL A 5 -6.203 -15.407 -17.794 1.00 0.00 C ATOM 0 H VAL A 5 -5.371 -14.383 -19.983 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.734 -12.679 -17.693 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.065 -15.213 -17.989 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.613 -15.484 -15.584 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.740 -13.960 -15.871 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.501 -13.942 -15.612 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.147 -16.393 -17.332 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.030 -14.848 -17.356 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.367 -15.518 -18.866 1.00 0.00 H new ATOM 78 N LEU A 6 -3.632 -11.268 -17.952 1.00 0.00 N ATOM 79 CA LEU A 6 -2.361 -10.489 -17.820 1.00 0.00 C ATOM 80 C LEU A 6 -2.403 -9.738 -16.496 1.00 0.00 C ATOM 81 O LEU A 6 -1.518 -9.848 -15.669 1.00 0.00 O ATOM 82 CB LEU A 6 -2.246 -9.483 -18.972 1.00 0.00 C ATOM 83 CG LEU A 6 -1.972 -10.221 -20.298 1.00 0.00 C ATOM 84 CD1 LEU A 6 -2.397 -9.338 -21.476 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.476 -10.541 -20.434 1.00 0.00 C ATOM 0 H LEU A 6 -4.481 -10.703 -17.925 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.504 -11.161 -17.852 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.166 -8.905 -19.053 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.442 -8.776 -18.768 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.542 -11.150 -20.301 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.202 -9.862 -22.412 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.461 -9.116 -21.399 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.830 -8.407 -21.456 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.299 -11.062 -21.375 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.097 -9.614 -20.419 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.163 -11.175 -19.604 1.00 0.00 H new ATOM 97 N HIS A 7 -3.440 -8.974 -16.290 1.00 0.00 N ATOM 98 CA HIS A 7 -3.583 -8.205 -15.026 1.00 0.00 C ATOM 99 C HIS A 7 -5.060 -8.139 -14.647 1.00 0.00 C ATOM 100 O HIS A 7 -5.693 -7.112 -14.767 1.00 0.00 O ATOM 101 CB HIS A 7 -3.040 -6.788 -15.225 1.00 0.00 C ATOM 102 CG HIS A 7 -1.606 -6.858 -15.673 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.579 -7.211 -14.812 1.00 0.00 N ATOM 104 CD2 HIS A 7 -1.012 -6.621 -16.889 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.568 -7.177 -15.514 1.00 0.00 C ATOM 106 NE2 HIS A 7 0.361 -6.824 -16.786 1.00 0.00 N ATOM 0 H HIS A 7 -4.204 -8.850 -16.954 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.022 -8.696 -14.231 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.638 -6.259 -15.967 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.114 -6.225 -14.295 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.675 -7.453 -13.826 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.531 -6.323 -17.788 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.538 -7.407 -15.100 1.00 0.00 H new ATOM 114 N VAL A 8 -5.613 -9.222 -14.175 1.00 0.00 N ATOM 115 CA VAL A 8 -7.048 -9.203 -13.775 1.00 0.00 C ATOM 116 C VAL A 8 -7.147 -8.336 -12.527 1.00 0.00 C ATOM 117 O VAL A 8 -6.154 -8.140 -11.852 1.00 0.00 O ATOM 118 CB VAL A 8 -7.507 -10.631 -13.466 1.00 0.00 C ATOM 119 CG1 VAL A 8 -9.033 -10.672 -13.399 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.022 -11.576 -14.568 1.00 0.00 C ATOM 0 H VAL A 8 -5.136 -10.115 -14.049 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.680 -8.806 -14.570 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.090 -10.945 -12.509 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.360 -11.688 -13.179 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.381 -10.001 -12.614 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.448 -10.356 -14.356 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.350 -12.592 -14.346 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.437 -11.262 -15.526 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.933 -11.549 -14.618 1.00 0.00 H new ATOM 130 N VAL A 9 -8.299 -7.785 -12.198 1.00 0.00 N ATOM 131 CA VAL A 9 -8.347 -6.917 -10.979 1.00 0.00 C ATOM 132 C VAL A 9 -9.685 -7.047 -10.249 1.00 0.00 C ATOM 133 O VAL A 9 -10.747 -6.951 -10.833 1.00 0.00 O ATOM 134 CB VAL A 9 -8.114 -5.447 -11.384 1.00 0.00 C ATOM 135 CG1 VAL A 9 -6.949 -5.352 -12.374 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.373 -4.887 -12.052 1.00 0.00 C ATOM 0 H VAL A 9 -9.178 -7.895 -12.704 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.561 -7.244 -10.298 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.881 -4.873 -10.487 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.793 -4.310 -12.653 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.044 -5.742 -11.909 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.180 -5.936 -13.265 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.203 -3.848 -12.336 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.604 -5.473 -12.941 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.209 -4.940 -11.355 1.00 0.00 H new ATOM 146 N GLN A 10 -9.621 -7.242 -8.958 1.00 0.00 N ATOM 147 CA GLN A 10 -10.854 -7.359 -8.132 1.00 0.00 C ATOM 148 C GLN A 10 -11.122 -6.023 -7.437 1.00 0.00 C ATOM 149 O GLN A 10 -10.254 -5.451 -6.806 1.00 0.00 O ATOM 150 CB GLN A 10 -10.663 -8.450 -7.075 1.00 0.00 C ATOM 151 CG GLN A 10 -11.926 -8.568 -6.219 1.00 0.00 C ATOM 152 CD GLN A 10 -11.736 -9.675 -5.181 1.00 0.00 C ATOM 153 OE1 GLN A 10 -10.847 -9.603 -4.356 1.00 0.00 O ATOM 154 NE2 GLN A 10 -12.538 -10.705 -5.185 1.00 0.00 N ATOM 0 H GLN A 10 -8.750 -7.326 -8.434 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.697 -7.619 -8.772 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.449 -9.404 -7.558 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.806 -8.213 -6.445 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.131 -7.620 -5.722 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.787 -8.790 -6.850 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.285 -10.767 -5.877 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.418 -11.448 -4.496 1.00 0.00 H new ATOM 163 N THR A 11 -12.318 -5.519 -7.553 1.00 0.00 N ATOM 164 CA THR A 11 -12.660 -4.219 -6.910 1.00 0.00 C ATOM 165 C THR A 11 -12.551 -4.325 -5.402 1.00 0.00 C ATOM 166 O THR A 11 -12.694 -5.374 -4.810 1.00 0.00 O ATOM 167 CB THR A 11 -14.088 -3.850 -7.270 1.00 0.00 C ATOM 168 OG1 THR A 11 -14.228 -3.847 -8.680 1.00 0.00 O ATOM 169 CG2 THR A 11 -14.453 -2.468 -6.705 1.00 0.00 C ATOM 0 H THR A 11 -13.081 -5.956 -8.071 1.00 0.00 H new ATOM 0 HA THR A 11 -11.965 -3.458 -7.265 1.00 0.00 H new ATOM 0 HB THR A 11 -14.764 -4.586 -6.834 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.584 -2.982 -8.972 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.480 -2.224 -6.975 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.357 -2.482 -5.619 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.781 -1.716 -7.119 1.00 0.00 H new ATOM 177 N LEU A 12 -12.314 -3.211 -4.793 1.00 5.40 N ATOM 178 CA LEU A 12 -12.195 -3.132 -3.307 1.00 9.02 C ATOM 179 C LEU A 12 -13.366 -2.290 -2.805 1.00 10.54 C ATOM 180 O LEU A 12 -13.698 -2.308 -1.636 1.00 10.21 O ATOM 181 CB LEU A 12 -10.871 -2.424 -2.916 1.00 7.97 C ATOM 182 CG LEU A 12 -9.563 -3.150 -3.407 1.00 7.96 C ATOM 183 CD1 LEU A 12 -8.346 -2.269 -3.107 1.00 6.40 C ATOM 184 CD2 LEU A 12 -9.311 -4.515 -2.742 1.00 6.66 C ATOM 0 H LEU A 12 -12.192 -2.318 -5.271 1.00 5.40 H new ATOM 0 HA LEU A 12 -12.202 -4.132 -2.873 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -10.883 -1.413 -3.323 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -10.832 -2.331 -1.831 1.00 7.97 H new ATOM 0 HG LEU A 12 -9.708 -3.319 -4.474 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -7.440 -2.772 -3.447 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -8.449 -1.317 -3.627 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -8.281 -2.091 -2.034 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -8.391 -4.947 -3.136 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -9.217 -4.383 -1.664 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -10.146 -5.183 -2.954 1.00 6.66 H new ATOM 196 N TYR A 13 -13.995 -1.540 -3.678 1.00 12.19 N ATOM 197 CA TYR A 13 -15.148 -0.689 -3.227 1.00 12.32 C ATOM 198 C TYR A 13 -16.180 -0.513 -4.371 1.00 14.17 C ATOM 199 O TYR A 13 -15.788 -0.409 -5.518 1.00 14.79 O ATOM 200 CB TYR A 13 -14.619 0.690 -2.821 1.00 14.83 C ATOM 201 CG TYR A 13 -13.356 0.527 -2.008 1.00 15.75 C ATOM 202 CD1 TYR A 13 -13.434 0.163 -0.658 1.00 18.39 C ATOM 203 CD2 TYR A 13 -12.106 0.744 -2.602 1.00 10.85 C ATOM 204 CE1 TYR A 13 -12.264 0.015 0.095 1.00 12.56 C ATOM 205 CE2 TYR A 13 -10.936 0.595 -1.848 1.00 10.94 C ATOM 206 CZ TYR A 13 -11.015 0.231 -0.498 1.00 12.35 C ATOM 207 OH TYR A 13 -9.862 0.086 0.245 1.00 12.20 O ATOM 0 H TYR A 13 -13.766 -1.478 -4.670 1.00 12.19 H new ATOM 0 HA TYR A 13 -15.636 -1.177 -2.384 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -14.418 1.290 -3.709 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -15.372 1.223 -2.240 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -14.397 -0.003 -0.198 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -12.045 1.027 -3.643 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -12.325 -0.266 1.136 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -9.973 0.761 -2.307 1.00 10.94 H new ATOM 0 HH TYR A 13 -9.083 0.272 -0.320 1.00 12.20 H new ATOM 217 N PRO A 14 -17.474 -0.449 -4.046 1.00 0.00 N ATOM 218 CA PRO A 14 -18.521 -0.246 -5.077 1.00 0.00 C ATOM 219 C PRO A 14 -18.468 1.210 -5.566 1.00 0.00 C ATOM 220 O PRO A 14 -19.222 2.051 -5.117 1.00 0.00 O ATOM 221 CB PRO A 14 -19.848 -0.521 -4.340 1.00 0.00 C ATOM 222 CG PRO A 14 -19.540 -0.454 -2.820 1.00 0.00 C ATOM 223 CD PRO A 14 -18.007 -0.578 -2.663 1.00 0.00 C ATOM 0 HA PRO A 14 -18.399 -0.890 -5.948 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -20.602 0.216 -4.614 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -20.245 -1.499 -4.611 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.896 0.485 -2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -20.048 -1.258 -2.288 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.611 0.201 -2.012 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.730 -1.535 -2.220 1.00 0.00 H new ATOM 231 N PHE A 15 -17.578 1.520 -6.462 1.00 0.00 N ATOM 232 CA PHE A 15 -17.475 2.929 -6.951 1.00 0.00 C ATOM 233 C PHE A 15 -18.663 3.284 -7.839 1.00 0.00 C ATOM 234 O PHE A 15 -19.446 2.441 -8.227 1.00 0.00 O ATOM 235 CB PHE A 15 -16.194 3.099 -7.762 1.00 0.00 C ATOM 236 CG PHE A 15 -15.942 4.572 -8.058 1.00 0.00 C ATOM 237 CD1 PHE A 15 -15.836 5.509 -7.015 1.00 0.00 C ATOM 238 CD2 PHE A 15 -15.810 5.005 -9.389 1.00 0.00 C ATOM 239 CE1 PHE A 15 -15.599 6.857 -7.302 1.00 0.00 C ATOM 240 CE2 PHE A 15 -15.572 6.355 -9.670 1.00 0.00 C ATOM 241 CZ PHE A 15 -15.467 7.279 -8.629 1.00 0.00 C ATOM 0 H PHE A 15 -16.917 0.865 -6.879 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.466 3.589 -6.083 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -15.350 2.683 -7.212 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -16.271 2.542 -8.696 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -15.938 5.187 -5.989 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.893 4.293 -10.197 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -15.518 7.573 -6.498 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.469 6.683 -10.694 1.00 0.00 H new ATOM 0 HZ PHE A 15 -15.284 8.320 -8.848 1.00 0.00 H new ATOM 251 N SER A 16 -18.787 4.544 -8.167 1.00 0.00 N ATOM 252 CA SER A 16 -19.910 5.000 -9.043 1.00 0.00 C ATOM 253 C SER A 16 -19.383 6.003 -10.064 1.00 0.00 C ATOM 254 O SER A 16 -19.005 7.109 -9.737 1.00 0.00 O ATOM 255 CB SER A 16 -20.994 5.656 -8.188 1.00 0.00 C ATOM 256 OG SER A 16 -21.631 4.663 -7.393 1.00 0.00 O ATOM 0 H SER A 16 -18.153 5.283 -7.863 1.00 0.00 H new ATOM 0 HA SER A 16 -20.335 4.142 -9.565 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.555 6.423 -7.550 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.726 6.152 -8.826 1.00 0.00 H new ATOM 0 HG SER A 16 -22.326 5.081 -6.842 1.00 0.00 H new ATOM 262 N SER A 17 -19.358 5.607 -11.305 1.00 0.00 N ATOM 263 CA SER A 17 -18.863 6.498 -12.392 1.00 0.00 C ATOM 264 C SER A 17 -19.850 6.423 -13.558 1.00 0.00 C ATOM 265 O SER A 17 -19.971 5.405 -14.210 1.00 0.00 O ATOM 266 CB SER A 17 -17.467 6.012 -12.812 1.00 0.00 C ATOM 267 OG SER A 17 -16.668 7.133 -13.150 1.00 0.00 O ATOM 0 H SER A 17 -19.665 4.686 -11.618 1.00 0.00 H new ATOM 0 HA SER A 17 -18.789 7.534 -12.063 1.00 0.00 H new ATOM 0 HB2 SER A 17 -17.004 5.451 -12.000 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.545 5.335 -13.663 1.00 0.00 H new ATOM 0 HG SER A 17 -15.726 6.865 -13.184 1.00 0.00 H new ATOM 273 N VAL A 18 -20.555 7.496 -13.829 1.00 0.00 N ATOM 274 CA VAL A 18 -21.538 7.489 -14.942 1.00 0.00 C ATOM 275 C VAL A 18 -21.305 8.711 -15.819 1.00 0.00 C ATOM 276 O VAL A 18 -21.827 9.787 -15.603 1.00 0.00 O ATOM 277 CB VAL A 18 -22.957 7.533 -14.359 1.00 0.00 C ATOM 278 CG1 VAL A 18 -23.978 7.654 -15.494 1.00 0.00 C ATOM 279 CG2 VAL A 18 -23.227 6.245 -13.573 1.00 0.00 C ATOM 0 H VAL A 18 -20.486 8.377 -13.320 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.420 6.585 -15.540 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.046 8.394 -13.696 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -24.984 7.685 -15.076 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -23.790 8.569 -16.056 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -23.887 6.795 -16.158 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -24.235 6.276 -13.159 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -23.134 5.387 -14.238 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.504 6.155 -12.762 1.00 0.00 H new ATOM 289 N THR A 19 -20.545 8.499 -16.831 1.00 38.32 N ATOM 290 CA THR A 19 -20.239 9.565 -17.829 1.00 37.06 C ATOM 291 C THR A 19 -20.139 8.900 -19.193 1.00 36.60 C ATOM 292 O THR A 19 -20.725 7.864 -19.444 1.00 36.42 O ATOM 293 CB THR A 19 -18.897 10.261 -17.501 1.00 37.05 C ATOM 294 OG1 THR A 19 -18.725 10.306 -16.094 1.00 37.96 O ATOM 295 CG2 THR A 19 -18.896 11.692 -18.055 1.00 37.86 C ATOM 0 H THR A 19 -20.100 7.602 -17.027 1.00 38.32 H new ATOM 0 HA THR A 19 -21.024 10.321 -17.812 1.00 37.06 H new ATOM 0 HB THR A 19 -18.083 9.699 -17.959 1.00 37.05 H new ATOM 0 HG1 THR A 19 -18.070 10.999 -15.866 1.00 37.96 H new ATOM 0 HG21 THR A 19 -17.947 12.173 -17.819 1.00 37.86 H new ATOM 0 HG22 THR A 19 -19.029 11.664 -19.136 1.00 37.86 H new ATOM 0 HG23 THR A 19 -19.711 12.257 -17.604 1.00 37.86 H new ATOM 303 N GLU A 20 -19.374 9.472 -20.055 1.00 36.33 N ATOM 304 CA GLU A 20 -19.176 8.911 -21.369 1.00 36.39 C ATOM 305 C GLU A 20 -18.097 7.825 -21.230 1.00 30.94 C ATOM 306 O GLU A 20 -18.282 6.697 -21.643 1.00 31.73 O ATOM 307 CB GLU A 20 -18.771 10.092 -22.257 1.00 41.00 C ATOM 308 CG GLU A 20 -19.933 11.005 -22.405 1.00 49.07 C ATOM 309 CD GLU A 20 -19.541 12.242 -23.214 1.00 52.00 C ATOM 310 OE1 GLU A 20 -18.413 12.285 -23.681 1.00 55.13 O ATOM 311 OE2 GLU A 20 -20.369 13.124 -23.352 1.00 54.38 O ATOM 0 H GLU A 20 -18.864 10.339 -19.882 1.00 36.33 H new ATOM 0 HA GLU A 20 -20.049 8.433 -21.813 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -17.928 10.624 -21.815 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -18.446 9.735 -23.234 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -20.752 10.484 -22.900 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -20.295 11.306 -21.422 1.00 49.07 H new ATOM 318 N GLU A 21 -16.959 8.173 -20.686 1.00 0.00 N ATOM 319 CA GLU A 21 -15.844 7.223 -20.544 1.00 0.00 C ATOM 320 C GLU A 21 -15.637 6.841 -19.060 1.00 0.00 C ATOM 321 O GLU A 21 -14.536 6.540 -18.644 1.00 0.00 O ATOM 322 CB GLU A 21 -14.621 7.964 -21.089 1.00 0.00 C ATOM 323 CG GLU A 21 -14.833 8.256 -22.564 1.00 0.00 C ATOM 324 CD GLU A 21 -14.824 6.952 -23.366 1.00 0.00 C ATOM 325 OE1 GLU A 21 -14.488 5.930 -22.792 1.00 0.00 O ATOM 326 OE2 GLU A 21 -15.152 6.997 -24.539 1.00 0.00 O ATOM 0 H GLU A 21 -16.763 9.108 -20.327 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.029 6.292 -21.079 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.469 8.893 -20.540 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.724 7.361 -20.950 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.782 8.773 -22.707 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -14.049 8.921 -22.927 1.00 0.00 H new ATOM 333 N GLU A 22 -16.676 6.857 -18.261 1.00 0.00 N ATOM 334 CA GLU A 22 -16.524 6.508 -16.807 1.00 0.00 C ATOM 335 C GLU A 22 -16.986 5.054 -16.567 1.00 0.00 C ATOM 336 O GLU A 22 -17.818 4.532 -17.283 1.00 0.00 O ATOM 337 CB GLU A 22 -17.371 7.504 -15.981 1.00 0.00 C ATOM 338 CG GLU A 22 -16.487 8.634 -15.415 1.00 0.00 C ATOM 339 CD GLU A 22 -15.865 9.425 -16.566 1.00 0.00 C ATOM 340 OE1 GLU A 22 -16.000 8.991 -17.697 1.00 0.00 O ATOM 341 OE2 GLU A 22 -15.266 10.454 -16.297 1.00 0.00 O ATOM 0 H GLU A 22 -17.625 7.096 -18.550 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.480 6.580 -16.501 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.155 7.929 -16.607 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.865 6.978 -15.164 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.083 9.295 -14.786 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.704 8.215 -14.784 1.00 0.00 H new ATOM 348 N LEU A 23 -16.417 4.388 -15.577 1.00 11.68 N ATOM 349 CA LEU A 23 -16.779 2.951 -15.292 1.00 7.71 C ATOM 350 C LEU A 23 -17.538 2.833 -13.961 1.00 8.71 C ATOM 351 O LEU A 23 -16.965 3.001 -12.902 1.00 10.83 O ATOM 352 CB LEU A 23 -15.470 2.128 -15.178 1.00 7.16 C ATOM 353 CG LEU A 23 -15.693 0.602 -15.370 1.00 8.46 C ATOM 354 CD1 LEU A 23 -16.978 0.114 -14.696 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.751 0.255 -16.853 1.00 2.00 C ATOM 0 H LEU A 23 -15.714 4.781 -14.951 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.413 2.581 -16.098 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -14.759 2.482 -15.924 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -15.021 2.304 -14.200 1.00 7.16 H new ATOM 0 HG LEU A 23 -14.848 0.100 -14.899 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.089 -0.958 -14.858 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -16.927 0.316 -13.626 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -17.834 0.637 -15.123 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -15.908 -0.817 -16.970 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.574 0.795 -17.321 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -14.813 0.539 -17.330 1.00 2.00 H new ATOM 367 N ASN A 24 -18.801 2.502 -13.997 1.00 0.00 N ATOM 368 CA ASN A 24 -19.566 2.314 -12.721 1.00 0.00 C ATOM 369 C ASN A 24 -19.530 0.821 -12.411 1.00 0.00 C ATOM 370 O ASN A 24 -19.841 0.013 -13.260 1.00 0.00 O ATOM 371 CB ASN A 24 -21.022 2.768 -12.907 1.00 0.00 C ATOM 372 CG ASN A 24 -21.888 2.245 -11.756 1.00 0.00 C ATOM 373 OD1 ASN A 24 -23.025 1.869 -11.957 1.00 0.00 O ATOM 374 ND2 ASN A 24 -21.392 2.204 -10.548 1.00 0.00 N ATOM 0 H ASN A 24 -19.339 2.353 -14.851 1.00 0.00 H new ATOM 0 HA ASN A 24 -19.131 2.901 -11.912 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -21.070 3.856 -12.943 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -21.407 2.400 -13.858 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.960 1.856 -9.775 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.437 2.520 -10.378 1.00 0.00 H new ATOM 381 N PHE A 25 -19.129 0.420 -11.229 1.00 6.72 N ATOM 382 CA PHE A 25 -19.070 -1.041 -10.963 1.00 6.82 C ATOM 383 C PHE A 25 -19.247 -1.329 -9.482 1.00 7.56 C ATOM 384 O PHE A 25 -18.766 -0.614 -8.627 1.00 6.07 O ATOM 385 CB PHE A 25 -17.733 -1.609 -11.467 1.00 9.59 C ATOM 386 CG PHE A 25 -16.524 -0.896 -10.850 1.00 9.18 C ATOM 387 CD1 PHE A 25 -16.315 0.488 -11.027 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.577 -1.642 -10.138 1.00 11.29 C ATOM 389 CE1 PHE A 25 -15.179 1.100 -10.486 1.00 5.32 C ATOM 390 CE2 PHE A 25 -14.443 -1.024 -9.605 1.00 11.14 C ATOM 391 CZ PHE A 25 -14.245 0.345 -9.777 1.00 12.44 C ATOM 0 H PHE A 25 -18.848 1.027 -10.459 1.00 6.72 H new ATOM 0 HA PHE A 25 -19.886 -1.526 -11.499 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.682 -2.672 -11.233 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.689 -1.519 -12.552 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -17.032 1.076 -11.581 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.724 -2.703 -10.000 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -15.025 2.161 -10.618 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.718 -1.609 -9.058 1.00 11.14 H new ATOM 0 HZ PHE A 25 -13.369 0.821 -9.362 1.00 12.44 H new ATOM 401 N GLU A 26 -19.943 -2.390 -9.183 1.00 0.00 N ATOM 402 CA GLU A 26 -20.171 -2.762 -7.765 1.00 0.00 C ATOM 403 C GLU A 26 -18.966 -3.554 -7.282 1.00 0.00 C ATOM 404 O GLU A 26 -18.249 -4.147 -8.062 1.00 0.00 O ATOM 405 CB GLU A 26 -21.455 -3.601 -7.644 1.00 0.00 C ATOM 406 CG GLU A 26 -21.230 -5.023 -8.176 1.00 0.00 C ATOM 407 CD GLU A 26 -20.578 -4.963 -9.559 1.00 0.00 C ATOM 408 OE1 GLU A 26 -21.048 -4.193 -10.380 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.618 -5.686 -9.774 1.00 0.00 O ATOM 0 H GLU A 26 -20.365 -3.018 -9.867 1.00 0.00 H new ATOM 0 HA GLU A 26 -20.293 -1.869 -7.152 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.770 -3.644 -6.601 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -22.261 -3.123 -8.201 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.595 -5.582 -7.489 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -22.180 -5.554 -8.235 1.00 0.00 H new ATOM 416 N LYS A 27 -18.727 -3.564 -6.012 1.00 8.66 N ATOM 417 CA LYS A 27 -17.563 -4.308 -5.498 1.00 8.68 C ATOM 418 C LYS A 27 -17.641 -5.762 -5.963 1.00 6.65 C ATOM 419 O LYS A 27 -18.709 -6.319 -6.121 1.00 10.38 O ATOM 420 CB LYS A 27 -17.563 -4.209 -3.975 1.00 12.96 C ATOM 421 CG LYS A 27 -18.674 -5.095 -3.363 1.00 12.48 C ATOM 422 CD LYS A 27 -18.091 -6.443 -2.896 1.00 20.52 C ATOM 423 CE LYS A 27 -17.483 -6.292 -1.496 1.00 28.24 C ATOM 424 NZ LYS A 27 -18.575 -6.243 -0.484 1.00 29.03 N ATOM 0 H LYS A 27 -19.289 -3.088 -5.306 1.00 8.66 H new ATOM 0 HA LYS A 27 -16.633 -3.886 -5.879 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -16.592 -4.517 -3.587 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -17.713 -3.172 -3.674 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -19.136 -4.580 -2.521 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -19.458 -5.267 -4.100 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -18.873 -7.202 -2.882 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -17.329 -6.782 -3.598 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -16.815 -7.127 -1.286 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -16.883 -5.383 -1.444 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -18.185 -6.447 0.458 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -19.005 -5.296 -0.483 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -19.299 -6.952 -0.719 1.00 29.03 H new ATOM 438 N GLY A 28 -16.513 -6.378 -6.203 1.00 5.06 N ATOM 439 CA GLY A 28 -16.519 -7.790 -6.680 1.00 4.39 C ATOM 440 C GLY A 28 -16.694 -7.809 -8.201 1.00 6.18 C ATOM 441 O GLY A 28 -17.462 -8.586 -8.730 1.00 5.61 O ATOM 0 H GLY A 28 -15.588 -5.963 -6.089 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -15.587 -8.283 -6.403 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -17.327 -8.344 -6.202 1.00 4.39 H new ATOM 445 N GLU A 29 -15.991 -6.952 -8.904 1.00 7.06 N ATOM 446 CA GLU A 29 -16.111 -6.902 -10.399 1.00 6.19 C ATOM 447 C GLU A 29 -14.748 -7.206 -11.030 1.00 6.67 C ATOM 448 O GLU A 29 -13.812 -6.445 -10.902 1.00 8.12 O ATOM 449 CB GLU A 29 -16.542 -5.481 -10.820 1.00 6.64 C ATOM 450 CG GLU A 29 -17.087 -5.411 -12.280 1.00 9.52 C ATOM 451 CD GLU A 29 -16.750 -6.670 -13.091 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.491 -7.635 -12.989 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.762 -6.644 -13.802 1.00 8.99 O ATOM 0 H GLU A 29 -15.335 -6.281 -8.505 1.00 7.06 H new ATOM 0 HA GLU A 29 -16.846 -7.636 -10.731 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -17.311 -5.124 -10.135 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.691 -4.807 -10.724 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -18.168 -5.277 -12.255 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.669 -4.537 -12.780 1.00 9.52 H new ATOM 460 N THR A 30 -14.639 -8.293 -11.733 1.00 0.00 N ATOM 461 CA THR A 30 -13.347 -8.621 -12.397 1.00 0.00 C ATOM 462 C THR A 30 -13.190 -7.676 -13.575 1.00 0.00 C ATOM 463 O THR A 30 -13.889 -7.811 -14.558 1.00 0.00 O ATOM 464 CB THR A 30 -13.425 -10.044 -12.953 1.00 0.00 C ATOM 465 OG1 THR A 30 -14.030 -10.897 -11.990 1.00 0.00 O ATOM 466 CG2 THR A 30 -12.022 -10.545 -13.279 1.00 0.00 C ATOM 0 H THR A 30 -15.387 -8.971 -11.878 1.00 0.00 H new ATOM 0 HA THR A 30 -12.520 -8.532 -11.693 1.00 0.00 H new ATOM 0 HB THR A 30 -14.025 -10.046 -13.863 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.082 -11.808 -12.347 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.081 -11.559 -13.675 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.566 -9.891 -14.022 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.416 -10.544 -12.373 1.00 0.00 H new ATOM 474 N MET A 31 -12.295 -6.728 -13.510 1.00 0.00 N ATOM 475 CA MET A 31 -12.145 -5.801 -14.667 1.00 0.00 C ATOM 476 C MET A 31 -10.888 -6.125 -15.446 1.00 0.00 C ATOM 477 O MET A 31 -9.817 -6.350 -14.917 1.00 0.00 O ATOM 478 CB MET A 31 -12.177 -4.342 -14.191 1.00 0.00 C ATOM 479 CG MET A 31 -13.630 -3.971 -13.775 1.00 0.00 C ATOM 480 SD MET A 31 -13.648 -3.365 -12.066 1.00 0.00 S ATOM 481 CE MET A 31 -13.042 -1.697 -12.423 1.00 0.00 C ATOM 0 H MET A 31 -11.672 -6.557 -12.721 1.00 0.00 H new ATOM 0 HA MET A 31 -12.987 -5.937 -15.346 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.499 -4.207 -13.348 1.00 0.00 H new ATOM 0 HB3 MET A 31 -11.833 -3.680 -14.986 1.00 0.00 H new ATOM 0 HG2 MET A 31 -14.025 -3.207 -14.445 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.278 -4.843 -13.868 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.606 -1.268 -11.521 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.285 -1.745 -13.205 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.870 -1.073 -12.758 1.00 0.00 H new ATOM 491 N GLU A 32 -11.065 -6.170 -16.723 1.00 0.00 N ATOM 492 CA GLU A 32 -9.981 -6.496 -17.668 1.00 0.00 C ATOM 493 C GLU A 32 -9.316 -5.181 -18.073 1.00 0.00 C ATOM 494 O GLU A 32 -9.853 -4.406 -18.838 1.00 0.00 O ATOM 495 CB GLU A 32 -10.620 -7.222 -18.881 1.00 0.00 C ATOM 496 CG GLU A 32 -12.167 -7.114 -18.813 1.00 0.00 C ATOM 497 CD GLU A 32 -12.764 -7.592 -20.137 1.00 0.00 C ATOM 498 OE1 GLU A 32 -12.023 -7.674 -21.102 1.00 0.00 O ATOM 499 OE2 GLU A 32 -13.952 -7.870 -20.163 1.00 0.00 O ATOM 0 H GLU A 32 -11.962 -5.985 -17.172 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.223 -7.149 -17.236 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.257 -6.782 -19.810 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.321 -8.270 -18.886 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.550 -7.717 -17.989 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.463 -6.083 -18.618 1.00 0.00 H new ATOM 506 N VAL A 33 -8.170 -4.905 -17.518 1.00 0.00 N ATOM 507 CA VAL A 33 -7.490 -3.617 -17.818 1.00 0.00 C ATOM 508 C VAL A 33 -7.113 -3.512 -19.302 1.00 0.00 C ATOM 509 O VAL A 33 -6.046 -3.928 -19.706 1.00 0.00 O ATOM 510 CB VAL A 33 -6.222 -3.503 -16.962 1.00 0.00 C ATOM 511 CG1 VAL A 33 -5.802 -2.033 -16.860 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.506 -4.045 -15.558 1.00 0.00 C ATOM 0 H VAL A 33 -7.675 -5.517 -16.869 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.180 -2.806 -17.586 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.421 -4.080 -17.424 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.901 -1.953 -16.252 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.602 -1.642 -17.857 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.604 -1.457 -16.398 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.606 -3.965 -14.948 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.308 -3.466 -15.100 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.807 -5.091 -15.626 1.00 0.00 H new ATOM 522 N ILE A 34 -7.965 -2.939 -20.115 1.00 0.00 N ATOM 523 CA ILE A 34 -7.615 -2.798 -21.569 1.00 0.00 C ATOM 524 C ILE A 34 -6.328 -1.966 -21.728 1.00 0.00 C ATOM 525 O ILE A 34 -5.423 -2.347 -22.443 1.00 0.00 O ATOM 526 CB ILE A 34 -8.735 -2.081 -22.345 1.00 0.00 C ATOM 527 CG1 ILE A 34 -9.986 -2.971 -22.412 1.00 0.00 C ATOM 528 CG2 ILE A 34 -8.244 -1.774 -23.774 1.00 0.00 C ATOM 529 CD1 ILE A 34 -11.154 -2.207 -23.065 1.00 0.00 C ATOM 0 H ILE A 34 -8.875 -2.567 -19.844 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.477 -3.803 -21.967 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.989 -1.153 -21.833 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.768 -3.873 -22.984 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.267 -3.290 -21.408 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.033 -1.266 -24.329 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.364 -1.133 -23.726 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.988 -2.706 -24.279 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.033 -2.851 -23.105 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.382 -1.318 -22.476 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.875 -1.911 -24.076 1.00 0.00 H new ATOM 541 N GLU A 35 -6.259 -0.814 -21.105 1.00 0.00 N ATOM 542 CA GLU A 35 -5.051 0.055 -21.267 1.00 0.00 C ATOM 543 C GLU A 35 -4.772 0.831 -19.996 1.00 0.00 C ATOM 544 O GLU A 35 -5.632 1.018 -19.159 1.00 0.00 O ATOM 545 CB GLU A 35 -5.290 1.042 -22.426 1.00 0.00 C ATOM 546 CG GLU A 35 -3.949 1.531 -22.985 1.00 0.00 C ATOM 547 CD GLU A 35 -3.325 0.435 -23.854 1.00 0.00 C ATOM 548 OE1 GLU A 35 -4.019 -0.070 -24.721 1.00 0.00 O ATOM 549 OE2 GLU A 35 -2.167 0.123 -23.637 1.00 0.00 O ATOM 0 H GLU A 35 -6.984 -0.439 -20.494 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.190 -0.578 -21.483 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.866 0.557 -23.214 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.878 1.890 -22.076 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.097 2.436 -23.574 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.275 1.789 -22.168 1.00 0.00 H new ATOM 556 N LYS A 36 -3.543 1.256 -19.840 1.00 0.00 N ATOM 557 CA LYS A 36 -3.144 1.996 -18.616 1.00 0.00 C ATOM 558 C LYS A 36 -2.293 3.231 -18.975 1.00 0.00 C ATOM 559 O LYS A 36 -1.140 3.302 -18.599 1.00 0.00 O ATOM 560 CB LYS A 36 -2.307 1.034 -17.745 1.00 0.00 C ATOM 561 CG LYS A 36 -2.884 -0.402 -17.813 1.00 0.00 C ATOM 562 CD LYS A 36 -2.206 -1.217 -18.930 1.00 0.00 C ATOM 563 CE LYS A 36 -3.043 -2.468 -19.248 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.431 -2.085 -19.622 1.00 0.00 N ATOM 0 H LYS A 36 -2.795 1.117 -20.519 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.032 2.341 -18.086 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.272 1.033 -18.086 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.301 1.381 -16.712 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.740 -0.901 -16.855 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.958 -0.358 -17.991 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.098 -0.604 -19.825 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.202 -1.509 -18.621 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.581 -3.024 -20.063 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.063 -3.129 -18.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.091 -2.828 -19.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.681 -1.188 -19.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.493 -1.970 -20.654 1.00 0.00 H new ATOM 578 N PRO A 37 -2.886 4.191 -19.654 1.00 0.00 N ATOM 579 CA PRO A 37 -2.183 5.429 -20.009 1.00 0.00 C ATOM 580 C PRO A 37 -2.057 6.302 -18.766 1.00 0.00 C ATOM 581 O PRO A 37 -2.723 6.095 -17.771 1.00 0.00 O ATOM 582 CB PRO A 37 -3.078 6.119 -21.050 1.00 0.00 C ATOM 583 CG PRO A 37 -4.449 5.412 -20.990 1.00 0.00 C ATOM 584 CD PRO A 37 -4.277 4.126 -20.143 1.00 0.00 C ATOM 0 HA PRO A 37 -1.181 5.247 -20.398 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.180 7.182 -20.830 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.645 6.040 -22.047 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.198 6.067 -20.544 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.797 5.166 -21.993 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.987 4.096 -19.317 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.446 3.231 -20.741 1.00 0.00 H new ATOM 592 N GLU A 38 -1.221 7.283 -18.832 1.00 0.00 N ATOM 593 CA GLU A 38 -1.053 8.200 -17.665 1.00 0.00 C ATOM 594 C GLU A 38 -2.009 9.378 -17.842 1.00 0.00 C ATOM 595 O GLU A 38 -2.718 9.744 -16.930 1.00 0.00 O ATOM 596 CB GLU A 38 0.395 8.708 -17.621 1.00 0.00 C ATOM 597 CG GLU A 38 0.664 9.437 -16.295 1.00 0.00 C ATOM 598 CD GLU A 38 0.091 10.858 -16.344 1.00 0.00 C ATOM 599 OE1 GLU A 38 -0.279 11.298 -17.419 1.00 0.00 O ATOM 600 OE2 GLU A 38 0.037 11.482 -15.298 1.00 0.00 O ATOM 0 H GLU A 38 -0.640 7.499 -19.642 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.273 7.677 -16.734 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.085 7.871 -17.730 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.577 9.382 -18.458 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.214 8.884 -15.470 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.737 9.476 -16.105 1.00 0.00 H new ATOM 607 N ASN A 39 -2.037 9.940 -19.028 1.00 0.00 N ATOM 608 CA ASN A 39 -2.940 11.090 -19.346 1.00 0.00 C ATOM 609 C ASN A 39 -2.662 12.252 -18.394 1.00 0.00 C ATOM 610 O ASN A 39 -2.281 13.329 -18.804 1.00 0.00 O ATOM 611 CB ASN A 39 -4.407 10.647 -19.227 1.00 0.00 C ATOM 612 CG ASN A 39 -4.820 9.878 -20.486 1.00 0.00 C ATOM 613 OD1 ASN A 39 -4.033 9.714 -21.397 1.00 0.00 O ATOM 614 ND2 ASN A 39 -6.030 9.398 -20.573 1.00 0.00 N ATOM 0 H ASN A 39 -1.454 9.639 -19.809 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.751 11.421 -20.367 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.536 10.018 -18.346 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.050 11.517 -19.094 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.316 8.884 -21.406 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.690 9.536 -19.808 1.00 0.00 H new ATOM 621 N ASP A 40 -2.822 12.014 -17.127 1.00 0.00 N ATOM 622 CA ASP A 40 -2.559 13.060 -16.094 1.00 0.00 C ATOM 623 C ASP A 40 -3.140 12.687 -14.704 1.00 0.00 C ATOM 624 O ASP A 40 -2.455 12.813 -13.709 1.00 0.00 O ATOM 625 CB ASP A 40 -3.045 14.476 -16.548 1.00 0.00 C ATOM 626 CG ASP A 40 -1.848 15.350 -16.949 1.00 0.00 C ATOM 627 OD1 ASP A 40 -0.894 14.806 -17.483 1.00 0.00 O ATOM 628 OD2 ASP A 40 -1.906 16.546 -16.713 1.00 0.00 O ATOM 0 H ASP A 40 -3.131 11.118 -16.750 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.475 13.105 -15.985 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.731 14.379 -17.390 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.598 14.954 -15.739 1.00 0.00 H new ATOM 633 N PRO A 41 -4.365 12.258 -14.673 1.00 0.00 N ATOM 634 CA PRO A 41 -5.043 11.881 -13.420 1.00 0.00 C ATOM 635 C PRO A 41 -4.410 10.606 -12.846 1.00 0.00 C ATOM 636 O PRO A 41 -3.909 10.619 -11.744 1.00 0.00 O ATOM 637 CB PRO A 41 -6.513 11.639 -13.834 1.00 0.00 C ATOM 638 CG PRO A 41 -6.587 11.787 -15.380 1.00 0.00 C ATOM 639 CD PRO A 41 -5.162 12.116 -15.873 1.00 0.00 C ATOM 0 HA PRO A 41 -4.962 12.643 -12.645 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.840 10.646 -13.527 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.173 12.357 -13.347 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.950 10.867 -15.838 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.283 12.578 -15.658 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.774 11.322 -16.511 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.152 13.033 -16.463 1.00 0.00 H new ATOM 647 N GLU A 42 -4.453 9.528 -13.618 1.00 0.00 N ATOM 648 CA GLU A 42 -3.885 8.181 -13.219 1.00 0.00 C ATOM 649 C GLU A 42 -4.941 7.094 -13.504 1.00 0.00 C ATOM 650 O GLU A 42 -4.793 5.949 -13.124 1.00 0.00 O ATOM 651 CB GLU A 42 -3.484 8.133 -11.727 1.00 0.00 C ATOM 652 CG GLU A 42 -2.062 8.694 -11.529 1.00 0.00 C ATOM 653 CD GLU A 42 -1.772 8.873 -10.033 1.00 0.00 C ATOM 654 OE1 GLU A 42 -2.604 8.471 -9.238 1.00 0.00 O ATOM 655 OE2 GLU A 42 -0.723 9.409 -9.712 1.00 0.00 O ATOM 0 H GLU A 42 -4.876 9.529 -14.546 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.981 8.008 -13.803 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.194 8.710 -11.135 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.529 7.106 -11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.331 8.018 -11.971 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.964 9.650 -12.044 1.00 0.00 H new ATOM 662 N TRP A 43 -6.009 7.438 -14.178 1.00 14.29 N ATOM 663 CA TRP A 43 -7.069 6.429 -14.485 1.00 10.30 C ATOM 664 C TRP A 43 -6.578 5.437 -15.547 1.00 6.82 C ATOM 665 O TRP A 43 -5.579 5.660 -16.200 1.00 6.91 O ATOM 666 CB TRP A 43 -8.318 7.142 -14.991 1.00 13.39 C ATOM 667 CG TRP A 43 -8.642 8.310 -14.114 1.00 11.71 C ATOM 668 CD1 TRP A 43 -8.154 8.514 -12.870 1.00 13.93 C ATOM 669 CD2 TRP A 43 -9.525 9.433 -14.394 1.00 7.44 C ATOM 670 NE1 TRP A 43 -8.680 9.685 -12.370 1.00 6.63 N ATOM 671 CE2 TRP A 43 -9.528 10.289 -13.271 1.00 8.43 C ATOM 672 CE3 TRP A 43 -10.314 9.791 -15.501 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -10.283 11.455 -13.241 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -11.081 10.967 -15.476 1.00 2.36 C ATOM 675 CH2 TRP A 43 -11.065 11.798 -14.348 1.00 8.17 C ATOM 0 H TRP A 43 -6.193 8.377 -14.530 1.00 14.29 H new ATOM 0 HA TRP A 43 -7.302 5.878 -13.574 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -8.162 7.480 -16.015 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -9.159 6.448 -15.009 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -7.464 7.864 -12.352 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -8.467 10.059 -11.445 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -10.330 9.158 -16.376 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -10.266 12.092 -12.369 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -11.686 11.232 -16.330 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -11.656 12.702 -14.334 1.00 8.17 H new ATOM 686 N TRP A 44 -7.279 4.338 -15.709 1.00 6.17 N ATOM 687 CA TRP A 44 -6.879 3.291 -16.708 1.00 5.58 C ATOM 688 C TRP A 44 -8.088 2.933 -17.582 1.00 6.91 C ATOM 689 O TRP A 44 -9.199 2.852 -17.099 1.00 8.86 O ATOM 690 CB TRP A 44 -6.489 1.995 -15.953 1.00 2.99 C ATOM 691 CG TRP A 44 -5.083 1.993 -15.403 1.00 7.04 C ATOM 692 CD1 TRP A 44 -4.117 2.931 -15.593 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.479 0.964 -14.562 1.00 5.23 C ATOM 694 NE1 TRP A 44 -2.975 2.536 -14.918 1.00 4.61 N ATOM 695 CE2 TRP A 44 -3.148 1.334 -14.273 1.00 9.27 C ATOM 696 CE3 TRP A 44 -4.961 -0.245 -14.025 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.319 0.535 -13.483 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -4.132 -1.052 -13.229 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.814 -0.664 -12.961 1.00 11.72 C ATOM 0 H TRP A 44 -8.125 4.118 -15.183 1.00 6.17 H new ATOM 0 HA TRP A 44 -6.053 3.674 -17.308 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -7.188 1.844 -15.131 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.603 1.147 -16.628 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.223 3.835 -16.175 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -2.108 3.073 -14.901 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -5.976 -0.554 -14.227 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.304 0.841 -13.277 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.513 -1.977 -12.822 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -2.180 -1.290 -12.351 1.00 11.72 H new ATOM 710 N LYS A 45 -7.881 2.639 -18.841 1.00 0.00 N ATOM 711 CA LYS A 45 -9.037 2.203 -19.666 1.00 0.00 C ATOM 712 C LYS A 45 -9.259 0.751 -19.310 1.00 0.00 C ATOM 713 O LYS A 45 -8.581 -0.117 -19.817 1.00 0.00 O ATOM 714 CB LYS A 45 -8.742 2.289 -21.170 1.00 0.00 C ATOM 715 CG LYS A 45 -8.463 3.770 -21.554 1.00 0.00 C ATOM 716 CD LYS A 45 -8.075 3.869 -23.048 1.00 0.00 C ATOM 717 CE LYS A 45 -9.326 3.748 -23.928 1.00 0.00 C ATOM 718 NZ LYS A 45 -8.970 4.057 -25.342 1.00 0.00 N ATOM 0 H LYS A 45 -6.982 2.682 -19.320 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.898 2.842 -19.469 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.882 1.668 -21.420 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.588 1.906 -21.741 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -9.347 4.377 -21.359 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.660 4.169 -20.935 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.577 4.819 -23.240 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.366 3.081 -23.300 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.738 2.741 -23.857 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.098 4.433 -23.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.818 3.975 -25.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.596 5.026 -25.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.247 3.386 -25.673 1.00 0.00 H new ATOM 732 N CYS A 46 -10.164 0.472 -18.420 1.00 0.00 N ATOM 733 CA CYS A 46 -10.388 -0.943 -18.008 1.00 0.00 C ATOM 734 C CYS A 46 -11.777 -1.389 -18.395 1.00 0.00 C ATOM 735 O CYS A 46 -12.766 -0.761 -18.071 1.00 0.00 O ATOM 736 CB CYS A 46 -10.213 -1.064 -16.493 1.00 0.00 C ATOM 737 SG CYS A 46 -11.645 -0.334 -15.658 1.00 0.00 S ATOM 0 H CYS A 46 -10.760 1.159 -17.958 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.662 -1.579 -18.514 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.110 -2.112 -16.211 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.300 -0.558 -16.180 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.584 -0.104 -16.527 1.00 0.00 H new ATOM 743 N LYS A 47 -11.858 -2.497 -19.059 1.00 0.00 N ATOM 744 CA LYS A 47 -13.180 -3.023 -19.439 1.00 0.00 C ATOM 745 C LYS A 47 -13.708 -3.768 -18.230 1.00 0.00 C ATOM 746 O LYS A 47 -12.927 -4.300 -17.471 1.00 0.00 O ATOM 747 CB LYS A 47 -13.027 -3.996 -20.609 1.00 0.00 C ATOM 748 CG LYS A 47 -14.312 -4.812 -20.797 1.00 0.00 C ATOM 749 CD LYS A 47 -14.295 -5.490 -22.168 1.00 0.00 C ATOM 750 CE LYS A 47 -15.612 -6.235 -22.385 1.00 0.00 C ATOM 751 NZ LYS A 47 -15.714 -6.670 -23.806 1.00 0.00 N ATOM 0 H LYS A 47 -11.061 -3.061 -19.355 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.855 -2.222 -19.741 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.802 -3.445 -21.522 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.187 -4.666 -20.426 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.397 -5.562 -20.011 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.183 -4.162 -20.713 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.152 -4.746 -22.952 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.457 -6.184 -22.232 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.664 -7.101 -21.725 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.453 -5.589 -22.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.611 -7.176 -23.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.683 -5.837 -24.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.919 -7.301 -24.034 1.00 0.00 H new ATOM 765 N ASN A 48 -15.004 -3.843 -18.018 1.00 0.00 N ATOM 766 CA ASN A 48 -15.462 -4.640 -16.819 1.00 0.00 C ATOM 767 C ASN A 48 -15.818 -6.040 -17.316 1.00 0.00 C ATOM 768 O ASN A 48 -16.520 -6.174 -18.291 1.00 0.00 O ATOM 769 CB ASN A 48 -16.620 -3.944 -16.052 1.00 0.00 C ATOM 770 CG ASN A 48 -17.998 -4.022 -16.729 1.00 0.00 C ATOM 771 OD1 ASN A 48 -18.819 -3.158 -16.506 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.333 -5.022 -17.485 1.00 0.00 N ATOM 0 H ASN A 48 -15.734 -3.414 -18.586 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.664 -4.710 -16.080 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.695 -4.389 -15.060 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.361 -2.894 -15.912 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.272 -5.071 -17.880 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.657 -5.759 -17.685 1.00 0.00 H new ATOM 779 N ALA A 49 -15.305 -7.110 -16.724 1.00 0.00 N ATOM 780 CA ALA A 49 -15.660 -8.445 -17.275 1.00 0.00 C ATOM 781 C ALA A 49 -17.179 -8.517 -17.394 1.00 0.00 C ATOM 782 O ALA A 49 -17.720 -9.313 -18.136 1.00 0.00 O ATOM 783 CB ALA A 49 -15.159 -9.557 -16.355 1.00 0.00 C ATOM 0 H ALA A 49 -14.682 -7.106 -15.916 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.192 -8.579 -18.250 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.428 -10.526 -16.775 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.075 -9.491 -16.261 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -15.616 -9.449 -15.371 1.00 0.00 H new ATOM 789 N ARG A 50 -17.869 -7.653 -16.694 1.00 0.00 N ATOM 790 CA ARG A 50 -19.348 -7.640 -16.804 1.00 0.00 C ATOM 791 C ARG A 50 -19.667 -7.239 -18.242 1.00 0.00 C ATOM 792 O ARG A 50 -20.798 -7.261 -18.686 1.00 0.00 O ATOM 793 CB ARG A 50 -19.949 -6.652 -15.774 1.00 0.00 C ATOM 794 CG ARG A 50 -20.448 -7.422 -14.526 1.00 0.00 C ATOM 795 CD ARG A 50 -20.608 -6.481 -13.298 1.00 0.00 C ATOM 796 NE ARG A 50 -21.992 -6.593 -12.715 1.00 0.00 N ATOM 797 CZ ARG A 50 -23.066 -6.450 -13.448 1.00 0.00 C ATOM 798 NH1 ARG A 50 -22.969 -6.119 -14.704 1.00 0.00 N ATOM 799 NH2 ARG A 50 -24.244 -6.610 -12.911 1.00 0.00 N ATOM 0 H ARG A 50 -17.471 -6.963 -16.057 1.00 0.00 H new ATOM 0 HA ARG A 50 -19.785 -8.614 -16.583 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -19.198 -5.918 -15.482 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -20.774 -6.101 -16.225 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.404 -7.896 -14.749 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.745 -8.219 -14.285 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.867 -6.736 -12.540 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.417 -5.450 -13.597 1.00 0.00 H new ATOM 0 HE ARG A 50 -22.095 -6.786 -11.719 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -22.051 -5.969 -15.123 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.811 -6.009 -15.269 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.326 -6.846 -11.922 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -25.083 -6.499 -13.480 1.00 0.00 H new ATOM 813 N GLY A 51 -18.634 -6.922 -18.976 1.00 8.07 N ATOM 814 CA GLY A 51 -18.772 -6.564 -20.406 1.00 7.79 C ATOM 815 C GLY A 51 -18.905 -5.046 -20.615 1.00 9.08 C ATOM 816 O GLY A 51 -19.589 -4.619 -21.527 1.00 14.41 O ATOM 0 H GLY A 51 -17.676 -6.898 -18.628 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -17.905 -6.930 -20.956 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -19.647 -7.064 -20.821 1.00 7.79 H new ATOM 820 N GLN A 52 -18.263 -4.213 -19.811 1.00 0.00 N ATOM 821 CA GLN A 52 -18.388 -2.720 -20.039 1.00 0.00 C ATOM 822 C GLN A 52 -17.049 -2.009 -19.882 1.00 0.00 C ATOM 823 O GLN A 52 -16.113 -2.556 -19.378 1.00 0.00 O ATOM 824 CB GLN A 52 -19.504 -2.128 -19.129 1.00 0.00 C ATOM 825 CG GLN A 52 -18.980 -0.999 -18.224 1.00 0.00 C ATOM 826 CD GLN A 52 -20.066 -0.578 -17.253 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.542 -1.366 -16.460 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.481 0.652 -17.288 1.00 0.00 N ATOM 0 H GLN A 52 -17.673 -4.491 -19.027 1.00 0.00 H new ATOM 0 HA GLN A 52 -18.689 -2.549 -21.073 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -20.313 -1.746 -19.752 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -19.925 -2.921 -18.511 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.100 -1.337 -17.677 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.671 -0.148 -18.830 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.077 1.308 -17.956 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.211 0.962 -16.647 1.00 0.00 H new ATOM 837 N VAL A 53 -16.946 -0.782 -20.361 1.00 0.00 N ATOM 838 CA VAL A 53 -15.639 -0.053 -20.277 1.00 0.00 C ATOM 839 C VAL A 53 -15.797 1.375 -19.756 1.00 0.00 C ATOM 840 O VAL A 53 -16.832 2.000 -19.878 1.00 0.00 O ATOM 841 CB VAL A 53 -14.999 0.002 -21.674 1.00 0.00 C ATOM 842 CG1 VAL A 53 -13.508 0.320 -21.553 1.00 0.00 C ATOM 843 CG2 VAL A 53 -15.185 -1.339 -22.395 1.00 0.00 C ATOM 0 H VAL A 53 -17.706 -0.263 -20.801 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.009 -0.598 -19.574 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.488 0.786 -22.252 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.062 0.357 -22.547 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.380 1.285 -21.062 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.017 -0.455 -20.964 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -14.728 -1.287 -23.383 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.711 -2.132 -21.817 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.249 -1.552 -22.498 1.00 0.00 H new ATOM 853 N GLY A 54 -14.737 1.881 -19.175 1.00 3.62 N ATOM 854 CA GLY A 54 -14.737 3.265 -18.623 1.00 3.70 C ATOM 855 C GLY A 54 -13.437 3.499 -17.842 1.00 4.69 C ATOM 856 O GLY A 54 -12.809 2.570 -17.373 1.00 7.25 O ATOM 0 H GLY A 54 -13.856 1.380 -19.060 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -14.825 3.991 -19.431 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.598 3.409 -17.970 1.00 3.70 H new ATOM 860 N LEU A 55 -13.039 4.732 -17.687 1.00 0.00 N ATOM 861 CA LEU A 55 -11.790 5.033 -16.923 1.00 0.00 C ATOM 862 C LEU A 55 -12.058 4.794 -15.429 1.00 0.00 C ATOM 863 O LEU A 55 -13.174 4.926 -14.967 1.00 0.00 O ATOM 864 CB LEU A 55 -11.410 6.507 -17.171 1.00 0.00 C ATOM 865 CG LEU A 55 -10.504 6.627 -18.410 1.00 0.00 C ATOM 866 CD1 LEU A 55 -9.141 5.929 -18.175 1.00 0.00 C ATOM 867 CD2 LEU A 55 -11.223 6.005 -19.615 1.00 0.00 C ATOM 0 H LEU A 55 -13.525 5.549 -18.057 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.971 4.390 -17.245 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.312 7.103 -17.313 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.897 6.909 -16.297 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.304 7.681 -18.603 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.522 6.030 -19.067 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.636 6.393 -17.328 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.305 4.872 -17.965 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.589 6.085 -20.498 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.431 4.955 -19.412 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.160 6.533 -19.792 1.00 0.00 H new ATOM 879 N VAL A 56 -11.051 4.430 -14.671 1.00 0.00 N ATOM 880 CA VAL A 56 -11.275 4.171 -13.214 1.00 0.00 C ATOM 881 C VAL A 56 -9.940 4.359 -12.450 1.00 0.00 C ATOM 882 O VAL A 56 -8.924 3.882 -12.918 1.00 0.00 O ATOM 883 CB VAL A 56 -11.773 2.718 -13.056 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.607 1.728 -13.188 1.00 0.00 C ATOM 885 CG2 VAL A 56 -12.431 2.531 -11.690 1.00 0.00 C ATOM 0 H VAL A 56 -10.092 4.302 -14.995 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.013 4.864 -12.809 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.500 2.524 -13.844 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.979 0.710 -13.074 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.146 1.838 -14.170 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.867 1.933 -12.415 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.778 1.502 -11.591 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.707 2.747 -10.905 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.279 3.210 -11.598 1.00 0.00 H new ATOM 895 N PRO A 57 -9.947 5.016 -11.296 1.00 3.33 N ATOM 896 CA PRO A 57 -8.699 5.188 -10.534 1.00 2.75 C ATOM 897 C PRO A 57 -8.023 3.821 -10.364 1.00 4.32 C ATOM 898 O PRO A 57 -8.539 2.934 -9.714 1.00 4.76 O ATOM 899 CB PRO A 57 -9.134 5.797 -9.180 1.00 2.92 C ATOM 900 CG PRO A 57 -10.649 6.139 -9.291 1.00 3.30 C ATOM 901 CD PRO A 57 -11.141 5.624 -10.666 1.00 2.53 C ATOM 0 HA PRO A 57 -7.974 5.835 -11.028 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -8.958 5.092 -8.367 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -8.553 6.692 -8.957 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -11.209 5.669 -8.482 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -10.807 7.214 -9.205 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -11.942 4.893 -10.551 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -11.537 6.438 -11.274 1.00 2.53 H new ATOM 909 N LYS A 58 -6.884 3.646 -10.972 1.00 0.00 N ATOM 910 CA LYS A 58 -6.173 2.340 -10.884 1.00 0.00 C ATOM 911 C LYS A 58 -5.831 2.004 -9.428 1.00 0.00 C ATOM 912 O LYS A 58 -5.203 1.002 -9.147 1.00 0.00 O ATOM 913 CB LYS A 58 -4.890 2.427 -11.721 1.00 0.00 C ATOM 914 CG LYS A 58 -3.869 3.404 -11.071 1.00 0.00 C ATOM 915 CD LYS A 58 -2.578 3.482 -11.910 1.00 0.00 C ATOM 916 CE LYS A 58 -1.589 4.460 -11.265 1.00 0.00 C ATOM 917 NZ LYS A 58 -0.341 4.510 -12.077 1.00 0.00 N ATOM 0 H LYS A 58 -6.411 4.357 -11.530 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.818 1.549 -11.266 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.444 1.437 -11.814 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.131 2.764 -12.729 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.312 4.396 -10.984 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.632 3.071 -10.061 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.125 2.493 -11.988 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.813 3.806 -12.924 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.033 5.453 -11.200 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.361 4.145 -10.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.331 5.173 -11.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.085 3.562 -12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.566 4.830 -13.041 1.00 0.00 H new ATOM 931 N ASN A 59 -6.244 2.828 -8.497 1.00 10.56 N ATOM 932 CA ASN A 59 -5.952 2.556 -7.052 1.00 9.74 C ATOM 933 C ASN A 59 -7.208 1.989 -6.378 1.00 9.95 C ATOM 934 O ASN A 59 -7.176 1.570 -5.237 1.00 8.95 O ATOM 935 CB ASN A 59 -5.537 3.870 -6.366 1.00 10.40 C ATOM 936 CG ASN A 59 -6.591 4.946 -6.637 1.00 12.58 C ATOM 937 OD1 ASN A 59 -7.334 5.322 -5.752 1.00 14.84 O ATOM 938 ND2 ASN A 59 -6.686 5.467 -7.829 1.00 14.09 N ATOM 0 H ASN A 59 -6.773 3.682 -8.675 1.00 10.56 H new ATOM 0 HA ASN A 59 -5.142 1.832 -6.966 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -5.430 3.714 -5.293 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -4.566 4.196 -6.739 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -7.383 6.188 -8.016 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -6.064 5.153 -8.574 1.00 14.09 H new ATOM 945 N TYR A 60 -8.313 1.979 -7.072 1.00 10.23 N ATOM 946 CA TYR A 60 -9.578 1.449 -6.478 1.00 5.50 C ATOM 947 C TYR A 60 -9.679 -0.060 -6.747 1.00 5.21 C ATOM 948 O TYR A 60 -10.696 -0.675 -6.494 1.00 7.16 O ATOM 949 CB TYR A 60 -10.775 2.163 -7.135 1.00 3.37 C ATOM 950 CG TYR A 60 -11.095 3.453 -6.406 1.00 2.00 C ATOM 951 CD1 TYR A 60 -10.068 4.308 -5.990 1.00 4.04 C ATOM 952 CD2 TYR A 60 -12.431 3.797 -6.159 1.00 2.00 C ATOM 953 CE1 TYR A 60 -10.374 5.502 -5.328 1.00 4.04 C ATOM 954 CE2 TYR A 60 -12.738 4.989 -5.498 1.00 2.69 C ATOM 955 CZ TYR A 60 -11.711 5.844 -5.082 1.00 4.45 C ATOM 956 OH TYR A 60 -12.013 7.021 -4.430 1.00 9.52 O ATOM 0 H TYR A 60 -8.397 2.317 -8.031 1.00 10.23 H new ATOM 0 HA TYR A 60 -9.582 1.626 -5.402 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -10.549 2.376 -8.180 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -11.646 1.508 -7.125 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -9.038 4.046 -6.180 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -13.225 3.139 -6.480 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -9.580 6.160 -5.007 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -13.768 5.251 -5.308 1.00 2.69 H new ATOM 0 HH TYR A 60 -12.985 7.106 -4.341 1.00 9.52 H new ATOM 966 N VAL A 61 -8.638 -0.657 -7.266 1.00 5.00 N ATOM 967 CA VAL A 61 -8.679 -2.121 -7.563 1.00 4.84 C ATOM 968 C VAL A 61 -7.284 -2.722 -7.370 1.00 5.03 C ATOM 969 O VAL A 61 -6.287 -2.032 -7.459 1.00 5.61 O ATOM 970 CB VAL A 61 -9.127 -2.331 -9.019 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.537 -1.770 -9.214 1.00 2.00 C ATOM 972 CG2 VAL A 61 -8.166 -1.605 -9.969 1.00 2.97 C ATOM 0 H VAL A 61 -7.759 -0.194 -7.498 1.00 5.00 H new ATOM 0 HA VAL A 61 -9.381 -2.610 -6.888 1.00 4.84 H new ATOM 0 HB VAL A 61 -9.123 -3.399 -9.238 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -10.849 -1.922 -10.247 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -11.229 -2.284 -8.547 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -10.539 -0.704 -8.987 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.488 -1.757 -10.999 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -8.167 -0.539 -9.742 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -7.159 -2.002 -9.841 1.00 2.97 H new ATOM 982 N VAL A 62 -7.205 -4.008 -7.123 1.00 0.00 N ATOM 983 CA VAL A 62 -5.867 -4.669 -6.943 1.00 0.00 C ATOM 984 C VAL A 62 -5.576 -5.506 -8.183 1.00 0.00 C ATOM 985 O VAL A 62 -6.464 -5.833 -8.925 1.00 0.00 O ATOM 986 CB VAL A 62 -5.895 -5.585 -5.718 1.00 0.00 C ATOM 987 CG1 VAL A 62 -6.717 -6.837 -6.029 1.00 0.00 C ATOM 988 CG2 VAL A 62 -4.469 -5.997 -5.354 1.00 0.00 C ATOM 0 H VAL A 62 -8.008 -4.631 -7.038 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.098 -3.910 -6.801 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.347 -5.051 -4.882 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.735 -7.487 -5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.736 -6.548 -6.287 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.267 -7.369 -6.867 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.490 -6.650 -4.481 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.018 -6.528 -6.193 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.880 -5.108 -5.128 1.00 0.00 H new ATOM 998 N VAL A 63 -4.337 -5.849 -8.412 1.00 0.00 N ATOM 999 CA VAL A 63 -3.976 -6.669 -9.618 1.00 0.00 C ATOM 1000 C VAL A 63 -3.617 -8.092 -9.187 1.00 0.00 C ATOM 1001 O VAL A 63 -2.884 -8.299 -8.240 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.779 -6.032 -10.326 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -1.535 -6.145 -9.442 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -2.529 -6.757 -11.650 1.00 0.00 C ATOM 0 H VAL A 63 -3.550 -5.597 -7.814 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.827 -6.704 -10.299 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.990 -4.980 -10.517 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.685 -5.690 -9.950 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.712 -5.630 -8.498 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.321 -7.196 -9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -1.676 -6.305 -12.157 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.320 -7.809 -11.455 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.413 -6.674 -12.283 1.00 0.00 H new ATOM 1014 N LEU A 64 -4.137 -9.074 -9.880 1.00 0.00 N ATOM 1015 CA LEU A 64 -3.846 -10.501 -9.532 1.00 0.00 C ATOM 1016 C LEU A 64 -2.859 -11.079 -10.554 1.00 0.00 C ATOM 1017 O LEU A 64 -1.754 -11.456 -10.217 1.00 0.00 O ATOM 1018 CB LEU A 64 -5.160 -11.302 -9.558 1.00 0.00 C ATOM 1019 CG LEU A 64 -6.056 -10.917 -8.363 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -7.443 -11.584 -8.478 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -5.381 -11.350 -7.053 1.00 0.00 C ATOM 0 H LEU A 64 -4.757 -8.948 -10.680 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.406 -10.562 -8.537 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.689 -11.112 -10.492 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.942 -12.369 -9.527 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.193 -9.836 -8.367 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.057 -11.297 -7.624 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.928 -11.259 -9.398 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.326 -12.668 -8.493 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.015 -11.077 -6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.231 -12.430 -7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.417 -10.851 -6.958 1.00 0.00 H new ATOM 1033 N SER A 65 -3.247 -11.159 -11.803 1.00 0.00 N ATOM 1034 CA SER A 65 -2.319 -11.718 -12.831 1.00 0.00 C ATOM 1035 C SER A 65 -1.168 -10.738 -13.065 1.00 0.00 C ATOM 1036 O SER A 65 -1.311 -9.543 -12.894 1.00 0.00 O ATOM 1037 CB SER A 65 -3.076 -11.955 -14.143 1.00 0.00 C ATOM 1038 OG SER A 65 -4.004 -13.016 -13.957 1.00 0.00 O ATOM 0 H SER A 65 -4.159 -10.864 -12.152 1.00 0.00 H new ATOM 0 HA SER A 65 -1.919 -12.668 -12.477 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.598 -11.047 -14.446 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.377 -12.202 -14.942 1.00 0.00 H new ATOM 0 HG SER A 65 -3.518 -13.846 -13.766 1.00 0.00 H new ATOM 1044 N ASP A 66 -0.021 -11.233 -13.451 1.00 0.00 N ATOM 1045 CA ASP A 66 1.147 -10.335 -13.693 1.00 0.00 C ATOM 1046 C ASP A 66 1.996 -10.903 -14.833 1.00 0.00 C ATOM 1047 O ASP A 66 2.019 -12.094 -15.068 1.00 0.00 O ATOM 1048 CB ASP A 66 1.992 -10.249 -12.419 1.00 0.00 C ATOM 1049 CG ASP A 66 2.465 -11.648 -12.022 1.00 0.00 C ATOM 1050 OD1 ASP A 66 2.309 -12.555 -12.823 1.00 0.00 O ATOM 1051 OD2 ASP A 66 2.977 -11.788 -10.924 1.00 0.00 O ATOM 0 H ASP A 66 0.158 -12.225 -13.610 1.00 0.00 H new ATOM 0 HA ASP A 66 0.795 -9.340 -13.964 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.850 -9.597 -12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.407 -9.809 -11.611 1.00 0.00 H new ATOM 1056 N GLY A 67 2.698 -10.059 -15.541 1.00 0.00 N ATOM 1057 CA GLY A 67 3.549 -10.553 -16.665 1.00 0.00 C ATOM 1058 C GLY A 67 4.896 -11.045 -16.117 1.00 0.00 C ATOM 1059 O GLY A 67 5.175 -12.226 -16.161 1.00 0.00 O ATOM 0 H GLY A 67 2.720 -9.050 -15.391 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.041 -11.362 -17.190 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.710 -9.755 -17.390 1.00 0.00 H new ATOM 1063 N PRO A 68 5.698 -10.131 -15.608 1.00 0.00 N ATOM 1064 CA PRO A 68 7.016 -10.492 -15.049 1.00 0.00 C ATOM 1065 C PRO A 68 6.831 -11.491 -13.896 1.00 0.00 C ATOM 1066 O PRO A 68 6.646 -11.108 -12.757 1.00 0.00 O ATOM 1067 CB PRO A 68 7.621 -9.157 -14.554 1.00 0.00 C ATOM 1068 CG PRO A 68 6.567 -8.038 -14.821 1.00 0.00 C ATOM 1069 CD PRO A 68 5.369 -8.690 -15.549 1.00 0.00 C ATOM 0 HA PRO A 68 7.670 -10.973 -15.776 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.859 -9.214 -13.492 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.552 -8.940 -15.078 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.245 -7.584 -13.884 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.998 -7.243 -15.429 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.438 -8.519 -15.009 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.239 -8.273 -16.548 1.00 0.00 H new ATOM 1077 N ALA A 69 6.898 -12.768 -14.187 1.00 0.00 N ATOM 1078 CA ALA A 69 6.751 -13.807 -13.132 1.00 0.00 C ATOM 1079 C ALA A 69 8.070 -14.552 -13.017 1.00 0.00 C ATOM 1080 O ALA A 69 8.260 -15.615 -13.576 1.00 0.00 O ATOM 1081 CB ALA A 69 5.645 -14.788 -13.532 1.00 0.00 C ATOM 0 H ALA A 69 7.051 -13.135 -15.127 1.00 0.00 H new ATOM 0 HA ALA A 69 6.490 -13.346 -12.179 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.537 -15.549 -12.759 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.704 -14.249 -13.645 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.906 -15.265 -14.477 1.00 0.00 H new ATOM 1087 N LEU A 70 8.984 -13.992 -12.289 1.00 0.00 N ATOM 1088 CA LEU A 70 10.314 -14.639 -12.106 1.00 0.00 C ATOM 1089 C LEU A 70 10.230 -15.654 -10.963 1.00 0.00 C ATOM 1090 O LEU A 70 9.841 -15.326 -9.858 1.00 0.00 O ATOM 1091 CB LEU A 70 11.359 -13.568 -11.765 1.00 0.00 C ATOM 1092 CG LEU A 70 11.649 -12.692 -13.002 1.00 0.00 C ATOM 1093 CD1 LEU A 70 12.175 -11.323 -12.554 1.00 0.00 C ATOM 1094 CD2 LEU A 70 12.707 -13.362 -13.890 1.00 0.00 C ATOM 0 H LEU A 70 8.870 -13.102 -11.804 1.00 0.00 H new ATOM 0 HA LEU A 70 10.603 -15.149 -13.025 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.998 -12.945 -10.946 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.279 -14.043 -11.423 1.00 0.00 H new ATOM 0 HG LEU A 70 10.724 -12.570 -13.566 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.379 -10.707 -13.430 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.427 -10.832 -11.931 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.093 -11.455 -11.982 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.903 -12.734 -14.759 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.628 -13.493 -13.322 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.342 -14.335 -14.220 1.00 0.00 H new ATOM 1106 N HIS A 71 10.593 -16.880 -11.217 1.00 0.00 N ATOM 1107 CA HIS A 71 10.534 -17.911 -10.142 1.00 0.00 C ATOM 1108 C HIS A 71 9.156 -17.875 -9.477 1.00 0.00 C ATOM 1109 CB HIS A 71 11.613 -17.619 -9.097 1.00 0.00 C ATOM 1110 CG HIS A 71 11.743 -18.796 -8.168 1.00 0.00 C ATOM 1111 ND1 HIS A 71 10.825 -19.833 -8.154 1.00 0.00 N ATOM 1112 CD2 HIS A 71 12.681 -19.112 -7.217 1.00 0.00 C ATOM 1113 CE1 HIS A 71 11.226 -20.718 -7.222 1.00 0.00 C ATOM 1114 NE2 HIS A 71 12.353 -20.327 -6.621 1.00 0.00 N ATOM 0 H HIS A 71 10.928 -17.213 -12.121 1.00 0.00 H new ATOM 0 HA HIS A 71 10.703 -18.898 -10.573 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.566 -17.423 -9.588 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.355 -16.723 -8.532 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.542 -18.510 -6.969 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.701 -21.632 -6.989 1.00 0.00 H new ATOM 0 HE2 HIS A 71 12.863 -20.814 -5.884 1.00 0.00 H new TER 1122 HIS A 71 ATOM 1123 N GLY B 72 -13.825 -13.876 8.737 1.00 0.00 N ATOM 1124 CA GLY B 72 -12.968 -14.030 7.527 1.00 0.00 C ATOM 1125 C GLY B 72 -12.543 -12.648 7.025 1.00 0.00 C ATOM 1126 O GLY B 72 -12.740 -12.308 5.876 1.00 0.00 O ATOM 0 HA2 GLY B 72 -12.089 -14.629 7.765 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -13.514 -14.560 6.747 1.00 0.00 H new ATOM 1131 N SER B 73 -11.961 -11.850 7.877 1.00 0.00 N ATOM 1132 CA SER B 73 -11.524 -10.493 7.445 1.00 0.00 C ATOM 1133 C SER B 73 -10.211 -10.601 6.668 1.00 0.00 C ATOM 1134 O SER B 73 -9.462 -11.545 6.826 1.00 0.00 O ATOM 1135 CB SER B 73 -11.315 -9.610 8.677 1.00 0.00 C ATOM 1136 OG SER B 73 -12.410 -9.778 9.567 1.00 0.00 O ATOM 0 H SER B 73 -11.769 -12.079 8.852 1.00 0.00 H new ATOM 0 HA SER B 73 -12.289 -10.052 6.805 1.00 0.00 H new ATOM 0 HB2 SER B 73 -10.383 -9.876 9.175 1.00 0.00 H new ATOM 0 HB3 SER B 73 -11.231 -8.565 8.379 1.00 0.00 H new ATOM 0 HG SER B 73 -12.278 -9.215 10.358 1.00 0.00 H new ATOM 1142 N MET B 74 -9.925 -9.644 5.830 1.00 0.00 N ATOM 1143 CA MET B 74 -8.660 -9.694 5.042 1.00 0.00 C ATOM 1144 C MET B 74 -7.485 -9.972 5.983 1.00 0.00 C ATOM 1145 O MET B 74 -7.614 -9.899 7.189 1.00 0.00 O ATOM 1146 CB MET B 74 -8.446 -8.353 4.338 1.00 0.00 C ATOM 1147 CG MET B 74 -9.751 -7.906 3.680 1.00 0.00 C ATOM 1148 SD MET B 74 -9.423 -6.513 2.573 1.00 0.00 S ATOM 1149 CE MET B 74 -11.034 -5.705 2.739 1.00 0.00 C ATOM 0 H MET B 74 -10.512 -8.828 5.656 1.00 0.00 H new ATOM 0 HA MET B 74 -8.724 -10.488 4.298 1.00 0.00 H new ATOM 0 HB2 MET B 74 -8.113 -7.603 5.056 1.00 0.00 H new ATOM 0 HB3 MET B 74 -7.661 -8.446 3.587 1.00 0.00 H new ATOM 0 HG2 MET B 74 -10.191 -8.732 3.121 1.00 0.00 H new ATOM 0 HG3 MET B 74 -10.474 -7.616 4.442 1.00 0.00 H new ATOM 0 HE1 MET B 74 -11.054 -4.803 2.127 1.00 0.00 H new ATOM 0 HE2 MET B 74 -11.818 -6.386 2.408 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.202 -5.438 3.783 1.00 0.00 H new ATOM 1159 N GLY B 75 -6.342 -10.289 5.442 1.00 0.00 N ATOM 1160 CA GLY B 75 -5.161 -10.569 6.306 1.00 0.00 C ATOM 1161 C GLY B 75 -3.906 -10.675 5.439 1.00 0.00 C ATOM 1162 O GLY B 75 -3.116 -11.587 5.583 1.00 0.00 O ATOM 0 H GLY B 75 -6.174 -10.366 4.439 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -5.040 -9.775 7.043 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -5.313 -11.496 6.858 1.00 0.00 H new ATOM 1166 N VAL B 76 -3.714 -9.747 4.541 1.00 0.00 N ATOM 1167 CA VAL B 76 -2.508 -9.796 3.665 1.00 0.00 C ATOM 1168 C VAL B 76 -2.178 -8.379 3.173 1.00 0.00 C ATOM 1169 O VAL B 76 -3.041 -7.690 2.667 1.00 0.00 O ATOM 1170 CB VAL B 76 -2.791 -10.686 2.447 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -1.980 -10.199 1.245 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -2.397 -12.135 2.739 1.00 0.00 C ATOM 0 H VAL B 76 -4.339 -8.958 4.376 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.670 -10.201 4.232 1.00 0.00 H new ATOM 0 HB VAL B 76 -3.858 -10.632 2.229 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -2.186 -10.836 0.385 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.258 -9.171 1.011 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -0.917 -10.242 1.482 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -2.605 -12.752 1.865 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.333 -12.183 2.973 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -2.972 -12.504 3.588 1.00 0.00 H new ATOM 1182 N PRO B 77 -0.933 -7.995 3.307 1.00 0.00 N ATOM 1183 CA PRO B 77 -0.473 -6.683 2.847 1.00 0.00 C ATOM 1184 C PRO B 77 -0.382 -6.697 1.340 1.00 0.00 C ATOM 1185 O PRO B 77 -0.376 -7.738 0.716 1.00 0.00 O ATOM 1186 CB PRO B 77 0.920 -6.510 3.463 1.00 0.00 C ATOM 1187 CG PRO B 77 1.302 -7.863 4.113 1.00 0.00 C ATOM 1188 CD PRO B 77 0.119 -8.817 3.933 1.00 0.00 C ATOM 0 HA PRO B 77 -1.143 -5.873 3.136 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.647 -6.231 2.700 1.00 0.00 H new ATOM 0 HB3 PRO B 77 0.916 -5.713 4.207 1.00 0.00 H new ATOM 0 HG2 PRO B 77 2.198 -8.272 3.646 1.00 0.00 H new ATOM 0 HG3 PRO B 77 1.527 -7.729 5.171 1.00 0.00 H new ATOM 0 HD2 PRO B 77 0.387 -9.665 3.303 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -0.212 -9.222 4.889 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.311 -5.551 0.750 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.219 -5.495 -0.722 1.00 0.00 C ATOM 1198 C ILE B 78 0.843 -4.488 -1.125 1.00 0.00 C ATOM 1199 O ILE B 78 0.787 -3.319 -0.788 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.581 -5.129 -1.296 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.569 -6.201 -0.840 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.497 -5.110 -2.818 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -4.007 -5.714 -0.963 1.00 0.00 C ATOM 0 H ILE B 78 -0.313 -4.647 1.223 1.00 0.00 H new ATOM 0 HA ILE B 78 0.070 -6.467 -1.121 1.00 0.00 H new ATOM 0 HB ILE B 78 -1.902 -4.145 -0.954 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.435 -7.101 -1.440 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.362 -6.473 0.195 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -2.470 -4.848 -3.233 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.758 -4.373 -3.132 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -1.202 -6.095 -3.178 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.687 -6.499 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.145 -4.828 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -4.219 -5.466 -2.003 1.00 0.00 H new ATOM 1215 N CYS B 79 1.835 -4.958 -1.818 1.00 0.00 N ATOM 1216 CA CYS B 79 2.947 -4.074 -2.232 1.00 0.00 C ATOM 1217 C CYS B 79 2.411 -2.918 -3.065 1.00 0.00 C ATOM 1218 O CYS B 79 1.858 -3.101 -4.132 1.00 0.00 O ATOM 1219 CB CYS B 79 3.962 -4.885 -3.035 1.00 0.00 C ATOM 1220 SG CYS B 79 5.172 -3.778 -3.796 1.00 0.00 S ATOM 0 H CYS B 79 1.922 -5.929 -2.118 1.00 0.00 H new ATOM 0 HA CYS B 79 3.436 -3.663 -1.349 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.468 -5.598 -2.384 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.451 -5.463 -3.805 1.00 0.00 H new ATOM 1225 N GLY B 80 2.572 -1.728 -2.573 1.00 0.00 N ATOM 1226 CA GLY B 80 2.077 -0.538 -3.313 1.00 0.00 C ATOM 1227 C GLY B 80 2.848 -0.401 -4.623 1.00 0.00 C ATOM 1228 O GLY B 80 2.615 0.503 -5.401 1.00 0.00 O ATOM 0 H GLY B 80 3.028 -1.525 -1.684 1.00 0.00 H new ATOM 0 HA2 GLY B 80 1.010 -0.639 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.204 0.360 -2.708 1.00 0.00 H new ATOM 1232 N ALA B 81 3.767 -1.290 -4.873 1.00 0.00 N ATOM 1233 CA ALA B 81 4.559 -1.208 -6.132 1.00 0.00 C ATOM 1234 C ALA B 81 3.810 -1.934 -7.248 1.00 0.00 C ATOM 1235 O ALA B 81 3.642 -1.418 -8.333 1.00 0.00 O ATOM 1236 CB ALA B 81 5.926 -1.862 -5.915 1.00 0.00 C ATOM 0 H ALA B 81 4.005 -2.070 -4.260 1.00 0.00 H new ATOM 0 HA ALA B 81 4.700 -0.164 -6.412 1.00 0.00 H new ATOM 0 HB1 ALA B 81 6.508 -1.803 -6.835 1.00 0.00 H new ATOM 0 HB2 ALA B 81 6.456 -1.342 -5.117 1.00 0.00 H new ATOM 0 HB3 ALA B 81 5.789 -2.907 -5.638 1.00 0.00 H new ATOM 1242 N CYS B 82 3.361 -3.129 -6.981 1.00 0.00 N ATOM 1243 CA CYS B 82 2.619 -3.904 -8.014 1.00 0.00 C ATOM 1244 C CYS B 82 1.187 -4.133 -7.534 1.00 0.00 C ATOM 1245 O CYS B 82 0.415 -4.828 -8.168 1.00 0.00 O ATOM 1246 CB CYS B 82 3.308 -5.254 -8.224 1.00 0.00 C ATOM 1247 SG CYS B 82 3.880 -5.888 -6.626 1.00 0.00 S ATOM 0 H CYS B 82 3.477 -3.605 -6.086 1.00 0.00 H new ATOM 0 HA CYS B 82 2.607 -3.352 -8.954 1.00 0.00 H new ATOM 0 HB2 CYS B 82 2.617 -5.961 -8.682 1.00 0.00 H new ATOM 0 HB3 CYS B 82 4.150 -5.143 -8.907 1.00 0.00 H new ATOM 1252 N ARG B 83 0.827 -3.565 -6.415 1.00 0.00 N ATOM 1253 CA ARG B 83 -0.549 -3.759 -5.894 1.00 0.00 C ATOM 1254 C ARG B 83 -0.827 -5.258 -5.811 1.00 0.00 C ATOM 1255 O ARG B 83 -1.899 -5.724 -6.140 1.00 0.00 O ATOM 1256 CB ARG B 83 -1.561 -3.097 -6.835 1.00 0.00 C ATOM 1257 CG ARG B 83 -1.436 -1.568 -6.741 1.00 0.00 C ATOM 1258 CD ARG B 83 -2.403 -0.893 -7.723 1.00 0.00 C ATOM 1259 NE ARG B 83 -2.303 0.598 -7.612 1.00 0.00 N ATOM 1260 CZ ARG B 83 -1.421 1.275 -8.301 1.00 0.00 C ATOM 1261 NH1 ARG B 83 -0.501 0.659 -8.989 1.00 0.00 N ATOM 1262 NH2 ARG B 83 -1.434 2.580 -8.261 1.00 0.00 N ATOM 0 H ARG B 83 1.430 -2.975 -5.841 1.00 0.00 H new ATOM 0 HA ARG B 83 -0.641 -3.305 -4.907 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -1.386 -3.423 -7.860 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -2.573 -3.405 -6.571 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -1.652 -1.241 -5.724 1.00 0.00 H new ATOM 0 HG3 ARG B 83 -0.412 -1.266 -6.962 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -2.173 -1.205 -8.742 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -3.424 -1.212 -7.515 1.00 0.00 H new ATOM 0 HE ARG B 83 -2.936 1.096 -6.986 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -0.464 -0.360 -8.993 1.00 0.00 H new ATOM 0 HH12 ARG B 83 0.182 1.196 -9.523 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -2.129 3.066 -7.695 1.00 0.00 H new ATOM 0 HH22 ARG B 83 -0.749 3.113 -8.796 1.00 0.00 H new ATOM 1276 N ARG B 84 0.144 -6.014 -5.367 1.00 0.00 N ATOM 1277 CA ARG B 84 -0.041 -7.489 -5.248 1.00 0.00 C ATOM 1278 C ARG B 84 0.051 -7.874 -3.768 1.00 0.00 C ATOM 1279 O ARG B 84 0.832 -7.297 -3.039 1.00 0.00 O ATOM 1280 CB ARG B 84 1.068 -8.203 -6.029 1.00 0.00 C ATOM 1281 CG ARG B 84 0.702 -8.264 -7.514 1.00 0.00 C ATOM 1282 CD ARG B 84 1.589 -9.292 -8.217 1.00 0.00 C ATOM 1283 NE ARG B 84 1.093 -10.665 -7.914 1.00 0.00 N ATOM 1284 CZ ARG B 84 1.907 -11.683 -7.991 1.00 0.00 C ATOM 1285 NH1 ARG B 84 3.153 -11.498 -8.332 1.00 0.00 N ATOM 1286 NH2 ARG B 84 1.472 -12.885 -7.729 1.00 0.00 N ATOM 0 H ARG B 84 1.061 -5.670 -5.081 1.00 0.00 H new ATOM 0 HA ARG B 84 -1.011 -7.780 -5.651 1.00 0.00 H new ATOM 0 HB2 ARG B 84 2.013 -7.676 -5.900 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.209 -9.211 -5.638 1.00 0.00 H new ATOM 0 HG2 ARG B 84 -0.348 -8.534 -7.630 1.00 0.00 H new ATOM 0 HG3 ARG B 84 0.831 -7.283 -7.972 1.00 0.00 H new ATOM 0 HD2 ARG B 84 1.581 -9.120 -9.293 1.00 0.00 H new ATOM 0 HD3 ARG B 84 2.622 -9.185 -7.885 1.00 0.00 H new ATOM 0 HE ARG B 84 0.119 -10.809 -7.647 1.00 0.00 H new ATOM 0 HH11 ARG B 84 3.491 -10.558 -8.538 1.00 0.00 H new ATOM 0 HH12 ARG B 84 3.789 -12.293 -8.392 1.00 0.00 H new ATOM 0 HH21 ARG B 84 0.497 -13.028 -7.465 1.00 0.00 H new ATOM 0 HH22 ARG B 84 2.107 -13.681 -7.789 1.00 0.00 H new ATOM 1300 N PRO B 85 -0.743 -8.833 -3.355 1.00 0.00 N ATOM 1301 CA PRO B 85 -0.742 -9.282 -1.953 1.00 0.00 C ATOM 1302 C PRO B 85 0.659 -9.719 -1.529 1.00 0.00 C ATOM 1303 O PRO B 85 1.187 -10.703 -2.009 1.00 0.00 O ATOM 1304 CB PRO B 85 -1.738 -10.451 -1.913 1.00 0.00 C ATOM 1305 CG PRO B 85 -2.362 -10.590 -3.320 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.690 -9.550 -4.233 1.00 0.00 C ATOM 0 HA PRO B 85 -1.028 -8.490 -1.261 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -1.233 -11.373 -1.627 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.512 -10.267 -1.168 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -2.209 -11.597 -3.709 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -3.439 -10.425 -3.279 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -1.173 -10.029 -5.065 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -2.424 -8.869 -4.663 1.00 0.00 H new ATOM 1314 N ILE B 86 1.265 -8.995 -0.623 1.00 0.00 N ATOM 1315 CA ILE B 86 2.634 -9.379 -0.165 1.00 0.00 C ATOM 1316 C ILE B 86 2.527 -10.651 0.677 1.00 0.00 C ATOM 1317 O ILE B 86 1.472 -10.974 1.185 1.00 0.00 O ATOM 1318 CB ILE B 86 3.253 -8.237 0.650 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.432 -7.010 -0.248 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.622 -8.668 1.184 1.00 0.00 C ATOM 1321 CD1 ILE B 86 3.326 -5.731 0.591 1.00 0.00 C ATOM 0 H ILE B 86 0.875 -8.161 -0.184 1.00 0.00 H new ATOM 0 HA ILE B 86 3.279 -9.567 -1.023 1.00 0.00 H new ATOM 0 HB ILE B 86 2.595 -7.993 1.484 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.401 -7.050 -0.745 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.673 -7.007 -1.030 1.00 0.00 H new ATOM 0 HG21 ILE B 86 5.059 -7.854 1.763 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.504 -9.544 1.821 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.278 -8.912 0.348 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.454 -4.861 -0.054 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.346 -5.688 1.067 1.00 0.00 H new ATOM 0 HD13 ILE B 86 4.102 -5.733 1.357 1.00 0.00 H new ATOM 1333 N GLU B 87 3.594 -11.393 0.819 1.00 0.00 N ATOM 1334 CA GLU B 87 3.501 -12.655 1.616 1.00 0.00 C ATOM 1335 C GLU B 87 4.891 -13.113 2.066 1.00 0.00 C ATOM 1336 O GLU B 87 5.348 -14.187 1.726 1.00 0.00 O ATOM 1337 CB GLU B 87 2.855 -13.749 0.762 1.00 0.00 C ATOM 1338 CG GLU B 87 3.376 -13.653 -0.673 1.00 0.00 C ATOM 1339 CD GLU B 87 3.064 -14.953 -1.420 1.00 0.00 C ATOM 1340 OE1 GLU B 87 1.945 -15.091 -1.881 1.00 0.00 O ATOM 1341 OE2 GLU B 87 3.951 -15.784 -1.515 1.00 0.00 O ATOM 0 H GLU B 87 4.512 -11.186 0.426 1.00 0.00 H new ATOM 0 HA GLU B 87 2.893 -12.466 2.501 1.00 0.00 H new ATOM 0 HB2 GLU B 87 3.082 -14.731 1.177 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.770 -13.641 0.774 1.00 0.00 H new ATOM 0 HG2 GLU B 87 2.913 -12.808 -1.183 1.00 0.00 H new ATOM 0 HG3 GLU B 87 4.451 -13.473 -0.669 1.00 0.00 H new ATOM 1348 N GLY B 88 5.558 -12.306 2.837 1.00 0.00 N ATOM 1349 CA GLY B 88 6.910 -12.672 3.336 1.00 0.00 C ATOM 1350 C GLY B 88 7.367 -11.573 4.281 1.00 0.00 C ATOM 1351 O GLY B 88 6.921 -11.480 5.408 1.00 0.00 O ATOM 0 H GLY B 88 5.220 -11.395 3.147 1.00 0.00 H new ATOM 0 HA2 GLY B 88 6.880 -13.632 3.852 1.00 0.00 H new ATOM 0 HA3 GLY B 88 7.608 -12.777 2.506 1.00 0.00 H new ATOM 1355 N ARG B 89 8.219 -10.715 3.814 1.00 0.00 N ATOM 1356 CA ARG B 89 8.679 -9.578 4.651 1.00 0.00 C ATOM 1357 C ARG B 89 8.128 -8.308 4.016 1.00 0.00 C ATOM 1358 O ARG B 89 8.369 -8.025 2.858 1.00 0.00 O ATOM 1359 CB ARG B 89 10.202 -9.537 4.693 1.00 0.00 C ATOM 1360 CG ARG B 89 10.716 -10.661 5.592 1.00 0.00 C ATOM 1361 CD ARG B 89 12.198 -10.425 5.913 1.00 0.00 C ATOM 1362 NE ARG B 89 12.962 -11.704 5.781 1.00 0.00 N ATOM 1363 CZ ARG B 89 12.496 -12.821 6.278 1.00 0.00 C ATOM 1364 NH1 ARG B 89 11.393 -12.826 6.974 1.00 0.00 N ATOM 1365 NH2 ARG B 89 13.152 -13.935 6.094 1.00 0.00 N ATOM 0 H ARG B 89 8.622 -10.751 2.878 1.00 0.00 H new ATOM 0 HA ARG B 89 8.326 -9.680 5.677 1.00 0.00 H new ATOM 0 HB2 ARG B 89 10.608 -9.647 3.687 1.00 0.00 H new ATOM 0 HB3 ARG B 89 10.540 -8.572 5.070 1.00 0.00 H new ATOM 0 HG2 ARG B 89 10.135 -10.698 6.514 1.00 0.00 H new ATOM 0 HG3 ARG B 89 10.589 -11.624 5.097 1.00 0.00 H new ATOM 0 HD2 ARG B 89 12.610 -9.675 5.238 1.00 0.00 H new ATOM 0 HD3 ARG B 89 12.301 -10.033 6.925 1.00 0.00 H new ATOM 0 HE ARG B 89 13.860 -11.705 5.296 1.00 0.00 H new ATOM 0 HH11 ARG B 89 10.887 -11.955 7.134 1.00 0.00 H new ATOM 0 HH12 ARG B 89 11.036 -13.701 7.358 1.00 0.00 H new ATOM 0 HH21 ARG B 89 14.024 -13.932 5.565 1.00 0.00 H new ATOM 0 HH22 ARG B 89 12.793 -14.808 6.480 1.00 0.00 H new ATOM 1379 N VAL B 90 7.353 -7.572 4.746 1.00 0.00 N ATOM 1380 CA VAL B 90 6.730 -6.344 4.175 1.00 0.00 C ATOM 1381 C VAL B 90 7.508 -5.095 4.568 1.00 0.00 C ATOM 1382 O VAL B 90 8.220 -5.071 5.552 1.00 0.00 O ATOM 1383 CB VAL B 90 5.300 -6.221 4.710 1.00 0.00 C ATOM 1384 CG1 VAL B 90 4.595 -5.023 4.057 1.00 0.00 C ATOM 1385 CG2 VAL B 90 4.520 -7.501 4.391 1.00 0.00 C ATOM 0 H VAL B 90 7.119 -7.763 5.720 1.00 0.00 H new ATOM 0 HA VAL B 90 6.735 -6.428 3.088 1.00 0.00 H new ATOM 0 HB VAL B 90 5.338 -6.072 5.789 1.00 0.00 H new ATOM 0 HG11 VAL B 90 3.579 -4.944 4.444 1.00 0.00 H new ATOM 0 HG12 VAL B 90 5.143 -4.109 4.286 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.562 -5.165 2.977 1.00 0.00 H new ATOM 0 HG21 VAL B 90 3.503 -7.412 4.772 1.00 0.00 H new ATOM 0 HG22 VAL B 90 4.491 -7.650 3.312 1.00 0.00 H new ATOM 0 HG23 VAL B 90 5.011 -8.353 4.862 1.00 0.00 H new ATOM 1395 N VAL B 91 7.342 -4.042 3.812 1.00 0.00 N ATOM 1396 CA VAL B 91 8.022 -2.759 4.131 1.00 0.00 C ATOM 1397 C VAL B 91 6.939 -1.704 4.283 1.00 0.00 C ATOM 1398 O VAL B 91 6.223 -1.402 3.354 1.00 0.00 O ATOM 1399 CB VAL B 91 8.981 -2.368 3.004 1.00 0.00 C ATOM 1400 CG1 VAL B 91 9.249 -0.859 3.057 1.00 0.00 C ATOM 1401 CG2 VAL B 91 10.298 -3.120 3.182 1.00 0.00 C ATOM 0 H VAL B 91 6.756 -4.019 2.977 1.00 0.00 H new ATOM 0 HA VAL B 91 8.607 -2.852 5.046 1.00 0.00 H new ATOM 0 HB VAL B 91 8.536 -2.624 2.042 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.932 -0.582 2.254 1.00 0.00 H new ATOM 0 HG12 VAL B 91 8.310 -0.318 2.937 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.696 -0.602 4.018 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.985 -2.845 2.382 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.739 -2.859 4.144 1.00 0.00 H new ATOM 0 HG23 VAL B 91 10.112 -4.193 3.147 1.00 0.00 H new ATOM 1411 N ASN B 92 6.791 -1.153 5.450 1.00 0.00 N ATOM 1412 CA ASN B 92 5.729 -0.132 5.645 1.00 0.00 C ATOM 1413 C ASN B 92 6.291 1.252 5.336 1.00 0.00 C ATOM 1414 O ASN B 92 7.052 1.815 6.099 1.00 0.00 O ATOM 1415 CB ASN B 92 5.237 -0.182 7.087 1.00 0.00 C ATOM 1416 CG ASN B 92 4.492 -1.495 7.330 1.00 0.00 C ATOM 1417 OD1 ASN B 92 3.656 -1.580 8.207 1.00 0.00 O ATOM 1418 ND2 ASN B 92 4.760 -2.531 6.580 1.00 0.00 N ATOM 0 H ASN B 92 7.355 -1.363 6.274 1.00 0.00 H new ATOM 0 HA ASN B 92 4.895 -0.338 4.974 1.00 0.00 H new ATOM 0 HB2 ASN B 92 6.080 -0.098 7.773 1.00 0.00 H new ATOM 0 HB3 ASN B 92 4.579 0.664 7.287 1.00 0.00 H new ATOM 0 HD21 ASN B 92 4.267 -3.411 6.731 1.00 0.00 H new ATOM 0 HD22 ASN B 92 5.462 -2.460 5.844 1.00 0.00 H new ATOM 1425 N ALA B 93 5.915 1.804 4.218 1.00 0.00 N ATOM 1426 CA ALA B 93 6.415 3.153 3.841 1.00 0.00 C ATOM 1427 C ALA B 93 5.305 3.904 3.112 1.00 0.00 C ATOM 1428 O ALA B 93 4.377 3.307 2.606 1.00 0.00 O ATOM 1429 CB ALA B 93 7.623 3.005 2.911 1.00 0.00 C ATOM 0 H ALA B 93 5.279 1.376 3.545 1.00 0.00 H new ATOM 0 HA ALA B 93 6.711 3.703 4.735 1.00 0.00 H new ATOM 0 HB1 ALA B 93 7.991 3.993 2.633 1.00 0.00 H new ATOM 0 HB2 ALA B 93 8.412 2.455 3.424 1.00 0.00 H new ATOM 0 HB3 ALA B 93 7.327 2.462 2.013 1.00 0.00 H new ATOM 1435 N MET B 94 5.382 5.205 3.059 1.00 0.00 N ATOM 1436 CA MET B 94 4.316 5.974 2.366 1.00 0.00 C ATOM 1437 C MET B 94 2.991 5.645 3.032 1.00 0.00 C ATOM 1438 O MET B 94 1.925 5.862 2.487 1.00 0.00 O ATOM 1439 CB MET B 94 4.251 5.563 0.894 1.00 0.00 C ATOM 1440 CG MET B 94 5.663 5.473 0.303 1.00 0.00 C ATOM 1441 SD MET B 94 6.282 7.142 -0.020 1.00 0.00 S ATOM 1442 CE MET B 94 8.010 6.848 0.426 1.00 0.00 C ATOM 0 H MET B 94 6.133 5.764 3.464 1.00 0.00 H new ATOM 0 HA MET B 94 4.526 7.042 2.427 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.748 4.600 0.800 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.660 6.287 0.333 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.327 4.954 0.994 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.647 4.893 -0.620 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.487 7.795 0.677 1.00 0.00 H new ATOM 0 HE2 MET B 94 8.055 6.180 1.286 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.530 6.391 -0.416 1.00 0.00 H new ATOM 1452 N GLY B 95 3.063 5.102 4.202 1.00 0.00 N ATOM 1453 CA GLY B 95 1.823 4.720 4.927 1.00 0.00 C ATOM 1454 C GLY B 95 1.200 3.529 4.205 1.00 0.00 C ATOM 1455 O GLY B 95 0.007 3.301 4.259 1.00 0.00 O ATOM 0 H GLY B 95 3.932 4.902 4.697 1.00 0.00 H new ATOM 0 HA2 GLY B 95 2.051 4.462 5.961 1.00 0.00 H new ATOM 0 HA3 GLY B 95 1.125 5.557 4.954 1.00 0.00 H new ATOM 1459 N LYS B 96 2.015 2.782 3.514 1.00 0.00 N ATOM 1460 CA LYS B 96 1.519 1.602 2.751 1.00 0.00 C ATOM 1461 C LYS B 96 2.372 0.378 3.078 1.00 0.00 C ATOM 1462 O LYS B 96 2.981 0.286 4.122 1.00 0.00 O ATOM 1463 CB LYS B 96 1.631 1.906 1.252 1.00 0.00 C ATOM 1464 CG LYS B 96 0.723 3.093 0.883 1.00 0.00 C ATOM 1465 CD LYS B 96 -0.204 2.700 -0.272 1.00 0.00 C ATOM 1466 CE LYS B 96 -0.932 3.939 -0.790 1.00 0.00 C ATOM 1467 NZ LYS B 96 -1.890 4.425 0.247 1.00 0.00 N ATOM 0 H LYS B 96 3.020 2.942 3.445 1.00 0.00 H new ATOM 0 HA LYS B 96 0.483 1.399 3.021 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.665 2.136 0.996 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.347 1.027 0.673 1.00 0.00 H new ATOM 0 HG2 LYS B 96 0.133 3.394 1.749 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.330 3.952 0.597 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.373 2.243 -1.075 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -0.926 1.956 0.065 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -0.213 4.722 -1.031 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.466 3.702 -1.710 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.492 5.170 -0.158 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.486 3.635 0.567 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.361 4.809 1.056 1.00 0.00 H new ATOM 1481 N GLN B 97 2.415 -0.554 2.172 1.00 0.00 N ATOM 1482 CA GLN B 97 3.214 -1.789 2.361 1.00 0.00 C ATOM 1483 C GLN B 97 3.955 -2.038 1.047 1.00 0.00 C ATOM 1484 O GLN B 97 3.434 -1.751 -0.014 1.00 0.00 O ATOM 1485 CB GLN B 97 2.258 -2.945 2.662 1.00 0.00 C ATOM 1486 CG GLN B 97 1.812 -2.859 4.135 1.00 0.00 C ATOM 1487 CD GLN B 97 0.341 -3.262 4.285 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -0.205 -3.214 5.369 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.331 -3.665 3.241 1.00 0.00 N ATOM 0 H GLN B 97 1.915 -0.508 1.284 1.00 0.00 H new ATOM 0 HA GLN B 97 3.922 -1.700 3.185 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.391 -2.897 2.003 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.750 -3.899 2.473 1.00 0.00 H new ATOM 0 HG2 GLN B 97 2.436 -3.511 4.747 1.00 0.00 H new ATOM 0 HG3 GLN B 97 1.954 -1.843 4.504 1.00 0.00 H new ATOM 0 HE21 GLN B 97 0.122 -3.707 2.328 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.309 -3.937 3.338 1.00 0.00 H new ATOM 1498 N TRP B 98 5.166 -2.520 1.082 1.00 0.00 N ATOM 1499 CA TRP B 98 5.904 -2.717 -0.200 1.00 0.00 C ATOM 1500 C TRP B 98 6.724 -4.005 -0.158 1.00 0.00 C ATOM 1501 O TRP B 98 7.349 -4.312 0.837 1.00 0.00 O ATOM 1502 CB TRP B 98 6.841 -1.524 -0.399 1.00 0.00 C ATOM 1503 CG TRP B 98 6.050 -0.257 -0.335 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.699 0.393 0.800 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.507 0.521 -1.433 1.00 0.00 C ATOM 1506 NE1 TRP B 98 4.965 1.518 0.461 1.00 0.00 N ATOM 1507 CE2 TRP B 98 4.821 1.639 -0.907 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.541 0.359 -2.823 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.192 2.564 -1.737 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 4.913 1.286 -3.663 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.237 2.388 -3.122 1.00 0.00 C ATOM 0 H TRP B 98 5.672 -2.783 1.928 1.00 0.00 H new ATOM 0 HA TRP B 98 5.192 -2.791 -1.022 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.614 -1.522 0.369 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.348 -1.602 -1.361 1.00 0.00 H new ATOM 0 HD1 TRP B 98 5.950 0.085 1.804 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.579 2.176 1.138 1.00 0.00 H new ATOM 0 HE3 TRP B 98 6.056 -0.488 -3.251 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.673 3.411 -1.313 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 4.950 1.151 -4.734 1.00 0.00 H new ATOM 0 HH2 TRP B 98 3.752 3.099 -3.774 1.00 0.00 H new ATOM 1522 N HIS B 99 6.766 -4.746 -1.238 1.00 0.00 N ATOM 1523 CA HIS B 99 7.595 -5.983 -1.225 1.00 0.00 C ATOM 1524 C HIS B 99 9.014 -5.561 -0.862 1.00 0.00 C ATOM 1525 O HIS B 99 9.549 -4.623 -1.422 1.00 0.00 O ATOM 1526 CB HIS B 99 7.624 -6.644 -2.607 1.00 0.00 C ATOM 1527 CG HIS B 99 6.388 -7.474 -2.822 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.466 -7.176 -3.807 1.00 0.00 N ATOM 1529 CD2 HIS B 99 5.924 -8.605 -2.202 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.497 -8.108 -3.755 1.00 0.00 C ATOM 1531 NE2 HIS B 99 4.729 -9.004 -2.794 1.00 0.00 N ATOM 0 H HIS B 99 6.272 -4.551 -2.109 1.00 0.00 H new ATOM 0 HA HIS B 99 7.180 -6.697 -0.514 1.00 0.00 H new ATOM 0 HB2 HIS B 99 7.694 -5.879 -3.381 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.511 -7.272 -2.698 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.411 -9.109 -1.380 1.00 0.00 H new ATOM 0 HE1 HIS B 99 3.638 -8.128 -4.410 1.00 0.00 H new ATOM 0 HE2 HIS B 99 4.154 -9.809 -2.546 1.00 0.00 H new ATOM 1539 N VAL B 100 9.637 -6.224 0.056 1.00 0.00 N ATOM 1540 CA VAL B 100 11.016 -5.835 0.426 1.00 0.00 C ATOM 1541 C VAL B 100 11.859 -5.790 -0.845 1.00 0.00 C ATOM 1542 O VAL B 100 12.955 -5.264 -0.868 1.00 0.00 O ATOM 1543 CB VAL B 100 11.581 -6.873 1.389 1.00 0.00 C ATOM 1544 CG1 VAL B 100 13.108 -6.801 1.394 1.00 0.00 C ATOM 1545 CG2 VAL B 100 11.045 -6.591 2.791 1.00 0.00 C ATOM 0 H VAL B 100 9.253 -7.019 0.568 1.00 0.00 H new ATOM 0 HA VAL B 100 11.025 -4.858 0.908 1.00 0.00 H new ATOM 0 HB VAL B 100 11.278 -7.871 1.072 1.00 0.00 H new ATOM 0 HG11 VAL B 100 13.505 -7.545 2.084 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.485 -6.999 0.391 1.00 0.00 H new ATOM 0 HG13 VAL B 100 13.424 -5.807 1.711 1.00 0.00 H new ATOM 0 HG21 VAL B 100 11.443 -7.328 3.488 1.00 0.00 H new ATOM 0 HG22 VAL B 100 11.352 -5.593 3.104 1.00 0.00 H new ATOM 0 HG23 VAL B 100 9.957 -6.650 2.783 1.00 0.00 H new ATOM 1555 N GLU B 101 11.352 -6.361 -1.897 1.00 0.00 N ATOM 1556 CA GLU B 101 12.104 -6.388 -3.176 1.00 0.00 C ATOM 1557 C GLU B 101 11.664 -5.233 -4.086 1.00 0.00 C ATOM 1558 O GLU B 101 12.418 -4.780 -4.925 1.00 0.00 O ATOM 1559 CB GLU B 101 11.833 -7.723 -3.879 1.00 0.00 C ATOM 1560 CG GLU B 101 12.402 -7.696 -5.301 1.00 0.00 C ATOM 1561 CD GLU B 101 13.874 -7.281 -5.259 1.00 0.00 C ATOM 1562 OE1 GLU B 101 14.661 -8.020 -4.694 1.00 0.00 O ATOM 1563 OE2 GLU B 101 14.187 -6.230 -5.794 1.00 0.00 O ATOM 0 H GLU B 101 10.439 -6.815 -1.925 1.00 0.00 H new ATOM 0 HA GLU B 101 13.168 -6.278 -2.968 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.285 -8.538 -3.314 1.00 0.00 H new ATOM 0 HB3 GLU B 101 10.760 -7.914 -3.912 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.304 -8.679 -5.761 1.00 0.00 H new ATOM 0 HG3 GLU B 101 11.835 -6.998 -5.917 1.00 0.00 H new ATOM 1570 N HIS B 102 10.452 -4.759 -3.946 1.00 0.00 N ATOM 1571 CA HIS B 102 9.982 -3.646 -4.832 1.00 0.00 C ATOM 1572 C HIS B 102 10.109 -2.299 -4.123 1.00 0.00 C ATOM 1573 O HIS B 102 9.923 -1.261 -4.729 1.00 0.00 O ATOM 1574 CB HIS B 102 8.522 -3.880 -5.236 1.00 0.00 C ATOM 1575 CG HIS B 102 8.427 -5.147 -6.046 1.00 0.00 C ATOM 1576 ND1 HIS B 102 7.285 -5.945 -6.072 1.00 0.00 N ATOM 1577 CD2 HIS B 102 9.331 -5.766 -6.874 1.00 0.00 C ATOM 1578 CE1 HIS B 102 7.540 -6.982 -6.892 1.00 0.00 C ATOM 1579 NE2 HIS B 102 8.769 -6.922 -7.405 1.00 0.00 N ATOM 0 H HIS B 102 9.771 -5.090 -3.263 1.00 0.00 H new ATOM 0 HA HIS B 102 10.608 -3.631 -5.724 1.00 0.00 H new ATOM 0 HB2 HIS B 102 7.894 -3.954 -4.348 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.153 -3.035 -5.817 1.00 0.00 H new ATOM 0 HD2 HIS B 102 10.329 -5.409 -7.082 1.00 0.00 H new ATOM 0 HE1 HIS B 102 6.833 -7.769 -7.108 1.00 0.00 H new ATOM 0 HE2 HIS B 102 9.204 -7.583 -8.049 1.00 0.00 H new ATOM 1587 N PHE B 103 10.457 -2.280 -2.868 1.00 0.00 N ATOM 1588 CA PHE B 103 10.619 -0.969 -2.195 1.00 0.00 C ATOM 1589 C PHE B 103 11.986 -0.436 -2.585 1.00 0.00 C ATOM 1590 O PHE B 103 13.005 -0.944 -2.160 1.00 0.00 O ATOM 1591 CB PHE B 103 10.528 -1.102 -0.674 1.00 0.00 C ATOM 1592 CG PHE B 103 10.355 0.280 -0.082 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.235 1.051 -0.421 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.319 0.797 0.792 1.00 0.00 C ATOM 1595 CE1 PHE B 103 9.082 2.336 0.109 1.00 0.00 C ATOM 1596 CE2 PHE B 103 11.163 2.083 1.322 1.00 0.00 C ATOM 1597 CZ PHE B 103 10.045 2.852 0.981 1.00 0.00 C ATOM 0 H PHE B 103 10.633 -3.102 -2.290 1.00 0.00 H new ATOM 0 HA PHE B 103 9.822 -0.293 -2.504 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.688 -1.740 -0.399 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.429 -1.573 -0.280 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.489 0.652 -1.092 1.00 0.00 H new ATOM 0 HD2 PHE B 103 12.182 0.204 1.057 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.220 2.930 -0.155 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.907 2.482 1.995 1.00 0.00 H new ATOM 0 HZ PHE B 103 9.926 3.844 1.391 1.00 0.00 H new ATOM 1607 N VAL B 104 12.017 0.543 -3.436 1.00 0.00 N ATOM 1608 CA VAL B 104 13.317 1.075 -3.913 1.00 0.00 C ATOM 1609 C VAL B 104 13.335 2.595 -3.874 1.00 0.00 C ATOM 1610 O VAL B 104 12.350 3.248 -3.599 1.00 0.00 O ATOM 1611 CB VAL B 104 13.513 0.648 -5.368 1.00 0.00 C ATOM 1612 CG1 VAL B 104 13.472 -0.883 -5.492 1.00 0.00 C ATOM 1613 CG2 VAL B 104 12.400 1.266 -6.219 1.00 0.00 C ATOM 0 H VAL B 104 11.193 1.001 -3.825 1.00 0.00 H new ATOM 0 HA VAL B 104 14.105 0.688 -3.266 1.00 0.00 H new ATOM 0 HB VAL B 104 14.486 0.994 -5.716 1.00 0.00 H new ATOM 0 HG11 VAL B 104 13.613 -1.167 -6.535 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.267 -1.319 -4.886 1.00 0.00 H new ATOM 0 HG13 VAL B 104 12.507 -1.251 -5.143 1.00 0.00 H new ATOM 0 HG21 VAL B 104 12.530 0.968 -7.259 1.00 0.00 H new ATOM 0 HG22 VAL B 104 11.432 0.918 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL B 104 12.446 2.352 -6.144 1.00 0.00 H new ATOM 1623 N CYS B 105 14.467 3.148 -4.183 1.00 0.00 N ATOM 1624 CA CYS B 105 14.613 4.622 -4.216 1.00 0.00 C ATOM 1625 C CYS B 105 13.690 5.195 -5.289 1.00 0.00 C ATOM 1626 O CYS B 105 13.420 4.564 -6.292 1.00 0.00 O ATOM 1627 CB CYS B 105 16.064 4.950 -4.556 1.00 0.00 C ATOM 1628 SG CYS B 105 16.194 6.632 -5.209 1.00 0.00 S ATOM 0 H CYS B 105 15.314 2.630 -4.419 1.00 0.00 H new ATOM 0 HA CYS B 105 14.348 5.054 -3.251 1.00 0.00 H new ATOM 0 HB2 CYS B 105 16.684 4.850 -3.665 1.00 0.00 H new ATOM 0 HB3 CYS B 105 16.442 4.238 -5.290 1.00 0.00 H new ATOM 1633 N ALA B 106 13.199 6.383 -5.087 1.00 0.00 N ATOM 1634 CA ALA B 106 12.290 6.996 -6.093 1.00 0.00 C ATOM 1635 C ALA B 106 13.107 7.829 -7.087 1.00 0.00 C ATOM 1636 O ALA B 106 12.622 8.793 -7.647 1.00 0.00 O ATOM 1637 CB ALA B 106 11.287 7.883 -5.363 1.00 0.00 C ATOM 0 H ALA B 106 13.388 6.958 -4.266 1.00 0.00 H new ATOM 0 HA ALA B 106 11.760 6.219 -6.644 1.00 0.00 H new ATOM 0 HB1 ALA B 106 10.612 8.341 -6.086 1.00 0.00 H new ATOM 0 HB2 ALA B 106 10.711 7.280 -4.661 1.00 0.00 H new ATOM 0 HB3 ALA B 106 11.820 8.663 -4.819 1.00 0.00 H new ATOM 1643 N LYS B 107 14.343 7.463 -7.307 1.00 0.00 N ATOM 1644 CA LYS B 107 15.201 8.229 -8.269 1.00 0.00 C ATOM 1645 C LYS B 107 16.032 7.264 -9.118 1.00 0.00 C ATOM 1646 O LYS B 107 16.354 7.546 -10.254 1.00 0.00 O ATOM 1647 CB LYS B 107 16.158 9.140 -7.490 1.00 0.00 C ATOM 1648 CG LYS B 107 16.984 9.990 -8.464 1.00 0.00 C ATOM 1649 CD LYS B 107 16.052 10.872 -9.309 1.00 0.00 C ATOM 1650 CE LYS B 107 16.771 12.172 -9.687 1.00 0.00 C ATOM 1651 NZ LYS B 107 16.693 13.128 -8.544 1.00 0.00 N ATOM 0 H LYS B 107 14.799 6.666 -6.863 1.00 0.00 H new ATOM 0 HA LYS B 107 14.555 8.824 -8.915 1.00 0.00 H new ATOM 0 HB2 LYS B 107 15.592 9.787 -6.820 1.00 0.00 H new ATOM 0 HB3 LYS B 107 16.820 8.538 -6.868 1.00 0.00 H new ATOM 0 HG2 LYS B 107 17.686 10.614 -7.911 1.00 0.00 H new ATOM 0 HG3 LYS B 107 17.575 9.344 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS B 107 15.748 10.338 -10.210 1.00 0.00 H new ATOM 0 HD3 LYS B 107 15.144 11.097 -8.750 1.00 0.00 H new ATOM 0 HE2 LYS B 107 17.813 11.967 -9.934 1.00 0.00 H new ATOM 0 HE3 LYS B 107 16.313 12.610 -10.574 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 16.607 14.098 -8.908 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 15.863 12.903 -7.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 17.554 13.050 -7.967 1.00 0.00 H new ATOM 1665 N CYS B 108 16.401 6.137 -8.567 1.00 0.00 N ATOM 1666 CA CYS B 108 17.237 5.164 -9.334 1.00 0.00 C ATOM 1667 C CYS B 108 16.610 3.773 -9.278 1.00 0.00 C ATOM 1668 O CYS B 108 16.959 2.897 -10.043 1.00 0.00 O ATOM 1669 CB CYS B 108 18.624 5.113 -8.702 1.00 0.00 C ATOM 1670 SG CYS B 108 18.479 4.466 -7.023 1.00 0.00 S ATOM 0 H CYS B 108 16.160 5.848 -7.619 1.00 0.00 H new ATOM 0 HA CYS B 108 17.302 5.481 -10.375 1.00 0.00 H new ATOM 0 HB2 CYS B 108 19.285 4.480 -9.294 1.00 0.00 H new ATOM 0 HB3 CYS B 108 19.067 6.109 -8.685 1.00 0.00 H new ATOM 1675 N GLU B 109 15.691 3.560 -8.379 1.00 0.00 N ATOM 1676 CA GLU B 109 15.041 2.230 -8.266 1.00 0.00 C ATOM 1677 C GLU B 109 16.018 1.211 -7.683 1.00 0.00 C ATOM 1678 O GLU B 109 16.146 0.111 -8.175 1.00 0.00 O ATOM 1679 CB GLU B 109 14.552 1.755 -9.642 1.00 0.00 C ATOM 1680 CG GLU B 109 13.958 2.936 -10.422 1.00 0.00 C ATOM 1681 CD GLU B 109 12.898 2.425 -11.400 1.00 0.00 C ATOM 1682 OE1 GLU B 109 11.781 2.197 -10.966 1.00 0.00 O ATOM 1683 OE2 GLU B 109 13.222 2.271 -12.566 1.00 0.00 O ATOM 0 H GLU B 109 15.361 4.258 -7.713 1.00 0.00 H new ATOM 0 HA GLU B 109 14.184 2.321 -7.599 1.00 0.00 H new ATOM 0 HB2 GLU B 109 15.380 1.318 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU B 109 13.802 0.974 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU B 109 13.515 3.654 -9.732 1.00 0.00 H new ATOM 0 HG3 GLU B 109 14.745 3.459 -10.964 1.00 0.00 H new ATOM 1690 N LYS B 110 16.687 1.566 -6.615 1.00 0.00 N ATOM 1691 CA LYS B 110 17.626 0.609 -5.966 1.00 0.00 C ATOM 1692 C LYS B 110 16.918 0.021 -4.735 1.00 0.00 C ATOM 1693 O LYS B 110 16.681 0.732 -3.778 1.00 0.00 O ATOM 1694 CB LYS B 110 18.897 1.343 -5.530 1.00 0.00 C ATOM 1695 CG LYS B 110 20.023 0.328 -5.285 1.00 0.00 C ATOM 1696 CD LYS B 110 20.081 -0.039 -3.800 1.00 0.00 C ATOM 1697 CE LYS B 110 21.221 -1.033 -3.563 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.481 -0.488 -4.143 1.00 0.00 N ATOM 0 H LYS B 110 16.621 2.479 -6.166 1.00 0.00 H new ATOM 0 HA LYS B 110 17.905 -0.182 -6.662 1.00 0.00 H new ATOM 0 HB2 LYS B 110 19.198 2.056 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS B 110 18.705 1.914 -4.622 1.00 0.00 H new ATOM 0 HG2 LYS B 110 19.854 -0.567 -5.883 1.00 0.00 H new ATOM 0 HG3 LYS B 110 20.978 0.747 -5.602 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.235 0.857 -3.199 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.133 -0.475 -3.485 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.347 -1.211 -2.495 1.00 0.00 H new ATOM 0 HE3 LYS B 110 20.982 -1.993 -4.021 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.298 -0.952 -3.697 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 22.498 -0.668 -5.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.528 0.536 -3.970 1.00 0.00 H new ATOM 1712 N PRO B 111 16.556 -1.240 -4.801 1.00 0.00 N ATOM 1713 CA PRO B 111 15.824 -1.894 -3.700 1.00 0.00 C ATOM 1714 C PRO B 111 16.692 -2.073 -2.463 1.00 0.00 C ATOM 1715 O PRO B 111 17.839 -2.464 -2.530 1.00 0.00 O ATOM 1716 CB PRO B 111 15.423 -3.265 -4.253 1.00 0.00 C ATOM 1717 CG PRO B 111 16.124 -3.438 -5.619 1.00 0.00 C ATOM 1718 CD PRO B 111 16.836 -2.116 -5.953 1.00 0.00 C ATOM 0 HA PRO B 111 14.971 -1.291 -3.388 1.00 0.00 H new ATOM 0 HB2 PRO B 111 15.721 -4.057 -3.566 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.341 -3.331 -4.366 1.00 0.00 H new ATOM 0 HG2 PRO B 111 16.841 -4.258 -5.579 1.00 0.00 H new ATOM 0 HG3 PRO B 111 15.397 -3.687 -6.392 1.00 0.00 H new ATOM 0 HD2 PRO B 111 17.907 -2.266 -6.086 1.00 0.00 H new ATOM 0 HD3 PRO B 111 16.457 -1.685 -6.880 1.00 0.00 H new ATOM 1726 N PHE B 112 16.117 -1.821 -1.325 1.00 0.00 N ATOM 1727 CA PHE B 112 16.866 -2.005 -0.045 1.00 0.00 C ATOM 1728 C PHE B 112 16.540 -3.385 0.526 1.00 0.00 C ATOM 1729 O PHE B 112 16.076 -3.506 1.643 1.00 0.00 O ATOM 1730 CB PHE B 112 17.273 -0.776 1.663 1.00 0.00 C ATOM 1731 CG PHE B 112 16.140 0.345 0.263 1.00 0.00 C ATOM 1732 CD1 PHE B 112 14.882 0.530 -0.316 1.00 0.00 C ATOM 1733 CD2 PHE B 112 17.098 1.358 0.199 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.581 1.734 -0.965 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.802 2.558 -0.450 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.545 2.750 -1.031 1.00 0.00 C ATOM 0 H PHE B 112 15.157 -1.494 -1.220 1.00 0.00 H new ATOM 0 HA PHE B 112 17.752 -1.657 -0.575 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.821 -1.036 2.620 1.00 0.00 H new ATOM 0 HB3 PHE B 112 18.302 -0.480 1.867 1.00 0.00 H new ATOM 0 HD1 PHE B 112 14.142 -0.255 -0.263 1.00 0.00 H new ATOM 0 HD2 PHE B 112 18.068 1.214 0.651 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.609 1.879 -1.413 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.545 3.340 -0.503 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.317 3.680 -1.530 1.00 0.00 H new ATOM 1745 N LEU B 113 16.773 -4.424 -0.224 1.00 0.00 N ATOM 1746 CA LEU B 113 16.467 -5.795 0.284 1.00 0.00 C ATOM 1747 C LEU B 113 16.846 -5.871 1.763 1.00 0.00 C ATOM 1748 O LEU B 113 16.039 -6.200 2.611 1.00 0.00 O ATOM 1749 CB LEU B 113 17.291 -6.821 -0.499 1.00 0.00 C ATOM 1750 CG LEU B 113 16.524 -7.235 -1.759 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.245 -5.999 -2.595 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.358 -8.218 -2.580 1.00 0.00 C ATOM 0 H LEU B 113 17.162 -4.387 -1.166 1.00 0.00 H new ATOM 0 HA LEU B 113 15.405 -6.007 0.160 1.00 0.00 H new ATOM 0 HB2 LEU B 113 18.257 -6.396 -0.771 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.490 -7.694 0.122 1.00 0.00 H new ATOM 0 HG LEU B 113 15.588 -7.714 -1.471 1.00 0.00 H new ATOM 0 HD11 LEU B 113 15.699 -6.284 -3.494 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.648 -5.295 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU B 113 17.188 -5.529 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU B 113 16.805 -8.507 -3.474 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.296 -7.745 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.569 -9.104 -1.982 1.00 0.00 H new ATOM 1764 N GLY B 114 18.070 -5.554 2.073 1.00 0.00 N ATOM 1765 CA GLY B 114 18.525 -5.581 3.492 1.00 0.00 C ATOM 1766 C GLY B 114 19.331 -4.315 3.778 1.00 0.00 C ATOM 1767 O GLY B 114 20.241 -4.315 4.581 1.00 0.00 O ATOM 0 H GLY B 114 18.783 -5.275 1.399 1.00 0.00 H new ATOM 0 HA2 GLY B 114 17.667 -5.641 4.162 1.00 0.00 H new ATOM 0 HA3 GLY B 114 19.135 -6.466 3.675 1.00 0.00 H new ATOM 1771 N HIS B 115 19.002 -3.235 3.119 1.00 0.00 N ATOM 1772 CA HIS B 115 19.749 -1.957 3.338 1.00 0.00 C ATOM 1773 C HIS B 115 18.813 -0.898 3.926 1.00 0.00 C ATOM 1774 O HIS B 115 17.640 -1.137 4.134 1.00 0.00 O ATOM 1775 CB HIS B 115 20.310 -1.459 2.001 1.00 0.00 C ATOM 1776 CG HIS B 115 20.642 -2.632 1.122 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.401 -2.626 -0.243 1.00 0.00 N ATOM 1778 CD2 HIS B 115 21.198 -3.854 1.399 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.808 -3.812 -0.731 1.00 0.00 C ATOM 1780 NE2 HIS B 115 21.302 -4.601 0.228 1.00 0.00 N ATOM 0 H HIS B 115 18.246 -3.181 2.436 1.00 0.00 H new ATOM 0 HA HIS B 115 20.568 -2.136 4.035 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.581 -0.817 1.507 1.00 0.00 H new ATOM 0 HB3 HIS B 115 21.202 -0.856 2.172 1.00 0.00 H new ATOM 0 HD2 HIS B 115 21.509 -4.187 2.378 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.743 -4.093 -1.772 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.674 -5.545 0.125 1.00 0.00 H new ATOM 1788 N ARG B 116 19.330 0.273 4.195 1.00 0.00 N ATOM 1789 CA ARG B 116 18.483 1.360 4.768 1.00 0.00 C ATOM 1790 C ARG B 116 17.961 2.247 3.636 1.00 0.00 C ATOM 1791 O ARG B 116 18.640 2.478 2.654 1.00 0.00 O ATOM 1792 CB ARG B 116 19.336 2.207 5.728 1.00 0.00 C ATOM 1793 CG ARG B 116 18.644 3.548 6.000 1.00 0.00 C ATOM 1794 CD ARG B 116 19.303 4.228 7.202 1.00 0.00 C ATOM 1795 NE ARG B 116 18.499 5.419 7.599 1.00 0.00 N ATOM 1796 CZ ARG B 116 18.691 5.976 8.764 1.00 0.00 C ATOM 1797 NH1 ARG B 116 19.589 5.493 9.579 1.00 0.00 N ATOM 1798 NH2 ARG B 116 17.985 7.018 9.113 1.00 0.00 N ATOM 0 H ARG B 116 20.307 0.524 4.042 1.00 0.00 H new ATOM 0 HA ARG B 116 17.641 0.926 5.307 1.00 0.00 H new ATOM 0 HB2 ARG B 116 19.487 1.670 6.664 1.00 0.00 H new ATOM 0 HB3 ARG B 116 20.322 2.378 5.297 1.00 0.00 H new ATOM 0 HG2 ARG B 116 18.714 4.190 5.122 1.00 0.00 H new ATOM 0 HG3 ARG B 116 17.583 3.389 6.195 1.00 0.00 H new ATOM 0 HD2 ARG B 116 19.374 3.529 8.035 1.00 0.00 H new ATOM 0 HD3 ARG B 116 20.320 4.529 6.951 1.00 0.00 H new ATOM 0 HE ARG B 116 17.799 5.798 6.961 1.00 0.00 H new ATOM 0 HH11 ARG B 116 20.141 4.680 9.306 1.00 0.00 H new ATOM 0 HH12 ARG B 116 19.739 5.929 10.489 1.00 0.00 H new ATOM 0 HH21 ARG B 116 17.284 7.396 8.475 1.00 0.00 H new ATOM 0 HH22 ARG B 116 18.134 7.454 10.023 1.00 0.00 H new ATOM 1812 N HIS B 117 16.761 2.757 3.770 1.00 0.00 N ATOM 1813 CA HIS B 117 16.200 3.641 2.705 1.00 0.00 C ATOM 1814 C HIS B 117 15.976 5.036 3.268 1.00 0.00 C ATOM 1815 O HIS B 117 16.077 5.268 4.457 1.00 0.00 O ATOM 1816 CB HIS B 117 14.865 3.096 2.206 1.00 0.00 C ATOM 1817 CG HIS B 117 14.041 2.645 3.379 1.00 0.00 C ATOM 1818 ND1 HIS B 117 14.134 1.365 3.902 1.00 0.00 N ATOM 1819 CD2 HIS B 117 13.102 3.296 4.141 1.00 0.00 C ATOM 1820 CE1 HIS B 117 13.273 1.286 4.935 1.00 0.00 C ATOM 1821 NE2 HIS B 117 12.620 2.436 5.124 1.00 0.00 N ATOM 0 H HIS B 117 16.148 2.599 4.570 1.00 0.00 H new ATOM 0 HA HIS B 117 16.908 3.676 1.877 1.00 0.00 H new ATOM 0 HB2 HIS B 117 14.332 3.865 1.647 1.00 0.00 H new ATOM 0 HB3 HIS B 117 15.032 2.263 1.523 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.786 4.319 3.999 1.00 0.00 H new ATOM 0 HE1 HIS B 117 13.128 0.401 5.537 1.00 0.00 H new ATOM 0 HE2 HIS B 117 11.919 2.640 5.836 1.00 0.00 H new ATOM 1829 N TYR B 118 15.691 5.970 2.408 1.00 0.00 N ATOM 1830 CA TYR B 118 15.476 7.368 2.853 1.00 0.00 C ATOM 1831 C TYR B 118 14.196 7.906 2.199 1.00 0.00 C ATOM 1832 O TYR B 118 13.929 7.654 1.042 1.00 0.00 O ATOM 1833 CB TYR B 118 16.704 8.173 2.432 1.00 0.00 C ATOM 1834 CG TYR B 118 17.933 7.391 2.845 1.00 0.00 C ATOM 1835 CD1 TYR B 118 18.263 6.196 2.185 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.727 7.834 3.910 1.00 0.00 C ATOM 1837 CE1 TYR B 118 19.376 5.454 2.589 1.00 0.00 C ATOM 1838 CE2 TYR B 118 19.837 7.085 4.313 1.00 0.00 C ATOM 1839 CZ TYR B 118 20.159 5.897 3.656 1.00 0.00 C ATOM 1840 OH TYR B 118 21.252 5.159 4.065 1.00 0.00 O ATOM 0 H TYR B 118 15.597 5.820 1.403 1.00 0.00 H new ATOM 0 HA TYR B 118 15.352 7.438 3.934 1.00 0.00 H new ATOM 0 HB2 TYR B 118 16.701 8.339 1.355 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.698 9.155 2.906 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.655 5.849 1.363 1.00 0.00 H new ATOM 0 HD2 TYR B 118 18.482 8.754 4.420 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.630 4.538 2.076 1.00 0.00 H new ATOM 0 HE2 TYR B 118 20.447 7.427 5.136 1.00 0.00 H new ATOM 0 HH TYR B 118 21.335 4.359 3.505 1.00 0.00 H new ATOM 1850 N GLU B 119 13.384 8.614 2.945 1.00 0.00 N ATOM 1851 CA GLU B 119 12.094 9.128 2.384 1.00 0.00 C ATOM 1852 C GLU B 119 12.157 10.636 2.143 1.00 0.00 C ATOM 1853 O GLU B 119 12.810 11.368 2.856 1.00 0.00 O ATOM 1854 CB GLU B 119 10.966 8.828 3.375 1.00 0.00 C ATOM 1855 CG GLU B 119 10.485 7.389 3.187 1.00 0.00 C ATOM 1856 CD GLU B 119 9.551 7.007 4.336 1.00 0.00 C ATOM 1857 OE1 GLU B 119 8.363 7.255 4.215 1.00 0.00 O ATOM 1858 OE2 GLU B 119 10.040 6.471 5.318 1.00 0.00 O ATOM 0 H GLU B 119 13.558 8.859 3.920 1.00 0.00 H new ATOM 0 HA GLU B 119 11.911 8.634 1.430 1.00 0.00 H new ATOM 0 HB2 GLU B 119 11.318 8.974 4.396 1.00 0.00 H new ATOM 0 HB3 GLU B 119 10.139 9.521 3.221 1.00 0.00 H new ATOM 0 HG2 GLU B 119 9.965 7.290 2.234 1.00 0.00 H new ATOM 0 HG3 GLU B 119 11.338 6.711 3.157 1.00 0.00 H new ATOM 1865 N ARG B 120 11.454 11.099 1.142 1.00 0.00 N ATOM 1866 CA ARG B 120 11.440 12.561 0.846 1.00 0.00 C ATOM 1867 C ARG B 120 10.123 12.956 0.171 1.00 0.00 C ATOM 1868 O ARG B 120 9.703 12.362 -0.799 1.00 0.00 O ATOM 1869 CB ARG B 120 12.597 12.916 -0.085 1.00 0.00 C ATOM 1870 CG ARG B 120 12.654 14.442 -0.279 1.00 0.00 C ATOM 1871 CD ARG B 120 12.556 14.781 -1.770 1.00 0.00 C ATOM 1872 NE ARG B 120 11.385 14.085 -2.369 1.00 0.00 N ATOM 1873 CZ ARG B 120 10.950 14.440 -3.548 1.00 0.00 C ATOM 1874 NH1 ARG B 120 11.543 15.402 -4.199 1.00 0.00 N ATOM 1875 NH2 ARG B 120 9.922 13.829 -4.073 1.00 0.00 N ATOM 0 H ARG B 120 10.888 10.526 0.516 1.00 0.00 H new ATOM 0 HA ARG B 120 11.542 13.102 1.787 1.00 0.00 H new ATOM 0 HB2 ARG B 120 13.537 12.557 0.334 1.00 0.00 H new ATOM 0 HB3 ARG B 120 12.467 12.421 -1.048 1.00 0.00 H new ATOM 0 HG2 ARG B 120 11.838 14.917 0.266 1.00 0.00 H new ATOM 0 HG3 ARG B 120 13.584 14.835 0.132 1.00 0.00 H new ATOM 0 HD2 ARG B 120 12.457 15.858 -1.902 1.00 0.00 H new ATOM 0 HD3 ARG B 120 13.470 14.480 -2.282 1.00 0.00 H new ATOM 0 HE ARG B 120 10.923 13.332 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG B 120 12.346 15.877 -3.787 1.00 0.00 H new ATOM 0 HH12 ARG B 120 11.203 15.679 -5.120 1.00 0.00 H new ATOM 0 HH21 ARG B 120 9.461 13.076 -3.562 1.00 0.00 H new ATOM 0 HH22 ARG B 120 9.580 14.105 -4.994 1.00 0.00 H new ATOM 1889 N LYS B 121 9.481 13.969 0.685 1.00 0.00 N ATOM 1890 CA LYS B 121 8.198 14.439 0.097 1.00 0.00 C ATOM 1891 C LYS B 121 7.252 13.263 -0.056 1.00 0.00 C ATOM 1892 O LYS B 121 6.334 13.289 -0.850 1.00 0.00 O ATOM 1893 CB LYS B 121 8.451 15.077 -1.269 1.00 0.00 C ATOM 1894 CG LYS B 121 9.217 16.390 -1.093 1.00 0.00 C ATOM 1895 CD LYS B 121 9.141 17.203 -2.386 1.00 0.00 C ATOM 1896 CE LYS B 121 9.861 18.539 -2.191 1.00 0.00 C ATOM 1897 NZ LYS B 121 9.049 19.418 -1.303 1.00 0.00 N ATOM 0 H LYS B 121 9.797 14.497 1.499 1.00 0.00 H new ATOM 0 HA LYS B 121 7.752 15.182 0.758 1.00 0.00 H new ATOM 0 HB2 LYS B 121 9.021 14.394 -1.900 1.00 0.00 H new ATOM 0 HB3 LYS B 121 7.504 15.263 -1.775 1.00 0.00 H new ATOM 0 HG2 LYS B 121 8.795 16.961 -0.266 1.00 0.00 H new ATOM 0 HG3 LYS B 121 10.257 16.185 -0.840 1.00 0.00 H new ATOM 0 HD2 LYS B 121 9.598 16.647 -3.205 1.00 0.00 H new ATOM 0 HD3 LYS B 121 8.100 17.375 -2.659 1.00 0.00 H new ATOM 0 HE2 LYS B 121 10.846 18.373 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS B 121 10.018 19.023 -3.155 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 9.385 20.399 -1.384 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 8.050 19.370 -1.587 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 9.145 19.100 -0.318 1.00 0.00 H new ATOM 1911 N GLY B 122 7.462 12.232 0.703 1.00 0.00 N ATOM 1912 CA GLY B 122 6.561 11.058 0.602 1.00 0.00 C ATOM 1913 C GLY B 122 7.051 10.126 -0.498 1.00 0.00 C ATOM 1914 O GLY B 122 6.282 9.445 -1.144 1.00 0.00 O ATOM 0 H GLY B 122 8.215 12.150 1.386 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.531 10.528 1.554 1.00 0.00 H new ATOM 0 HA3 GLY B 122 5.544 11.386 0.387 1.00 0.00 H new ATOM 1918 N LEU B 123 8.332 10.093 -0.712 1.00 0.00 N ATOM 1919 CA LEU B 123 8.898 9.201 -1.760 1.00 0.00 C ATOM 1920 C LEU B 123 10.230 8.648 -1.265 1.00 0.00 C ATOM 1921 O LEU B 123 10.986 9.321 -0.597 1.00 0.00 O ATOM 1922 CB LEU B 123 9.116 9.981 -3.057 1.00 0.00 C ATOM 1923 CG LEU B 123 7.812 10.069 -3.848 1.00 0.00 C ATOM 1924 CD1 LEU B 123 8.060 10.892 -5.112 1.00 0.00 C ATOM 1925 CD2 LEU B 123 7.338 8.658 -4.229 1.00 0.00 C ATOM 0 H LEU B 123 9.019 10.649 -0.203 1.00 0.00 H new ATOM 0 HA LEU B 123 8.203 8.385 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU B 123 9.480 10.983 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU B 123 9.882 9.492 -3.659 1.00 0.00 H new ATOM 0 HG LEU B 123 7.042 10.545 -3.241 1.00 0.00 H new ATOM 0 HD11 LEU B 123 7.137 10.963 -5.687 1.00 0.00 H new ATOM 0 HD12 LEU B 123 8.393 11.892 -4.835 1.00 0.00 H new ATOM 0 HD13 LEU B 123 8.827 10.408 -5.716 1.00 0.00 H new ATOM 0 HD21 LEU B 123 6.408 8.727 -4.793 1.00 0.00 H new ATOM 0 HD22 LEU B 123 8.098 8.172 -4.840 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.172 8.073 -3.324 1.00 0.00 H new ATOM 1937 N ALA B 124 10.514 7.417 -1.576 1.00 0.00 N ATOM 1938 CA ALA B 124 11.786 6.814 -1.103 1.00 0.00 C ATOM 1939 C ALA B 124 12.961 7.319 -1.930 1.00 0.00 C ATOM 1940 O ALA B 124 12.826 7.666 -3.087 1.00 0.00 O ATOM 1941 CB ALA B 124 11.720 5.296 -1.245 1.00 0.00 C ATOM 0 H ALA B 124 9.922 6.804 -2.136 1.00 0.00 H new ATOM 0 HA ALA B 124 11.926 7.095 -0.059 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.655 4.857 -0.897 1.00 0.00 H new ATOM 0 HB2 ALA B 124 10.894 4.910 -0.648 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.564 5.035 -2.292 1.00 0.00 H new ATOM 1947 N TYR B 125 14.121 7.336 -1.341 1.00 0.00 N ATOM 1948 CA TYR B 125 15.326 7.783 -2.076 1.00 0.00 C ATOM 1949 C TYR B 125 16.544 7.127 -1.455 1.00 0.00 C ATOM 1950 O TYR B 125 16.638 7.002 -0.256 1.00 0.00 O ATOM 1951 CB TYR B 125 15.465 9.295 -1.970 1.00 0.00 C ATOM 1952 CG TYR B 125 14.475 9.944 -2.884 1.00 0.00 C ATOM 1953 CD1 TYR B 125 14.763 10.079 -4.245 1.00 0.00 C ATOM 1954 CD2 TYR B 125 13.269 10.409 -2.373 1.00 0.00 C ATOM 1955 CE1 TYR B 125 13.827 10.684 -5.095 1.00 0.00 C ATOM 1956 CE2 TYR B 125 12.340 11.011 -3.213 1.00 0.00 C ATOM 1957 CZ TYR B 125 12.612 11.151 -4.577 1.00 0.00 C ATOM 1958 OH TYR B 125 11.690 11.750 -5.409 1.00 0.00 O ATOM 0 H TYR B 125 14.284 7.056 -0.374 1.00 0.00 H new ATOM 0 HA TYR B 125 15.239 7.504 -3.126 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.295 9.617 -0.943 1.00 0.00 H new ATOM 0 HB3 TYR B 125 16.477 9.599 -2.236 1.00 0.00 H new ATOM 0 HD1 TYR B 125 15.702 9.719 -4.640 1.00 0.00 H new ATOM 0 HD2 TYR B 125 13.053 10.302 -1.320 1.00 0.00 H new ATOM 0 HE1 TYR B 125 14.042 10.790 -6.148 1.00 0.00 H new ATOM 0 HE2 TYR B 125 11.405 11.372 -2.811 1.00 0.00 H new ATOM 0 HH TYR B 125 10.786 11.589 -5.065 1.00 0.00 H new ATOM 1968 N CYS B 126 17.484 6.706 -2.243 1.00 0.00 N ATOM 1969 CA CYS B 126 18.678 6.072 -1.635 1.00 0.00 C ATOM 1970 C CYS B 126 19.312 7.070 -0.661 1.00 0.00 C ATOM 1971 O CYS B 126 18.875 8.196 -0.539 1.00 0.00 O ATOM 1972 CB CYS B 126 19.709 5.732 -2.712 1.00 0.00 C ATOM 1973 SG CYS B 126 19.089 4.413 -3.768 1.00 0.00 S ATOM 0 H CYS B 126 17.481 6.770 -3.261 1.00 0.00 H new ATOM 0 HA CYS B 126 18.376 5.158 -1.124 1.00 0.00 H new ATOM 0 HB2 CYS B 126 19.926 6.616 -3.311 1.00 0.00 H new ATOM 0 HB3 CYS B 126 20.645 5.425 -2.246 1.00 0.00 H new ATOM 1978 N GLU B 127 20.352 6.671 0.010 1.00 0.00 N ATOM 1979 CA GLU B 127 21.036 7.600 0.959 1.00 0.00 C ATOM 1980 C GLU B 127 21.618 8.781 0.179 1.00 0.00 C ATOM 1981 O GLU B 127 21.661 9.899 0.657 1.00 0.00 O ATOM 1982 CB GLU B 127 22.191 6.871 1.647 1.00 0.00 C ATOM 1983 CG GLU B 127 22.756 7.743 2.775 1.00 0.00 C ATOM 1984 CD GLU B 127 23.619 6.885 3.702 1.00 0.00 C ATOM 1985 OE1 GLU B 127 24.079 5.844 3.257 1.00 0.00 O ATOM 1986 OE2 GLU B 127 23.806 7.281 4.839 1.00 0.00 O ATOM 0 H GLU B 127 20.762 5.740 -0.055 1.00 0.00 H new ATOM 0 HA GLU B 127 20.315 7.948 1.699 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.844 5.919 2.049 1.00 0.00 H new ATOM 0 HB3 GLU B 127 22.974 6.645 0.923 1.00 0.00 H new ATOM 0 HG2 GLU B 127 23.350 8.556 2.357 1.00 0.00 H new ATOM 0 HG3 GLU B 127 21.942 8.200 3.338 1.00 0.00 H new ATOM 1993 N THR B 128 22.097 8.528 -1.007 1.00 0.00 N ATOM 1994 CA THR B 128 22.718 9.611 -1.823 1.00 0.00 C ATOM 1995 C THR B 128 21.670 10.362 -2.638 1.00 0.00 C ATOM 1996 O THR B 128 21.697 11.571 -2.715 1.00 0.00 O ATOM 1997 CB THR B 128 23.753 9.002 -2.770 1.00 0.00 C ATOM 1998 OG1 THR B 128 24.807 8.430 -2.008 1.00 0.00 O ATOM 1999 CG2 THR B 128 24.315 10.090 -3.685 1.00 0.00 C ATOM 0 H THR B 128 22.085 7.610 -1.450 1.00 0.00 H new ATOM 0 HA THR B 128 23.195 10.318 -1.145 1.00 0.00 H new ATOM 0 HB THR B 128 23.281 8.230 -3.378 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.471 8.037 -2.612 1.00 0.00 H new ATOM 0 HG21 THR B 128 25.052 9.654 -4.359 1.00 0.00 H new ATOM 0 HG22 THR B 128 23.505 10.529 -4.268 1.00 0.00 H new ATOM 0 HG23 THR B 128 24.789 10.864 -3.081 1.00 0.00 H new ATOM 2007 N HIS B 129 20.754 9.678 -3.255 1.00 0.00 N ATOM 2008 CA HIS B 129 19.744 10.392 -4.059 1.00 0.00 C ATOM 2009 C HIS B 129 18.882 11.207 -3.116 1.00 0.00 C ATOM 2010 O HIS B 129 18.613 12.365 -3.353 1.00 0.00 O ATOM 2011 CB HIS B 129 18.904 9.390 -4.846 1.00 0.00 C ATOM 2012 CG HIS B 129 19.814 8.652 -5.802 1.00 0.00 C ATOM 2013 ND1 HIS B 129 19.720 7.282 -6.060 1.00 0.00 N ATOM 2014 CD2 HIS B 129 20.863 9.099 -6.570 1.00 0.00 C ATOM 2015 CE1 HIS B 129 20.687 6.973 -6.945 1.00 0.00 C ATOM 2016 NE2 HIS B 129 21.410 8.040 -7.287 1.00 0.00 N ATOM 0 H HIS B 129 20.664 8.662 -3.235 1.00 0.00 H new ATOM 0 HA HIS B 129 20.223 11.057 -4.778 1.00 0.00 H new ATOM 0 HB2 HIS B 129 18.417 8.689 -4.169 1.00 0.00 H new ATOM 0 HB3 HIS B 129 18.115 9.904 -5.394 1.00 0.00 H new ATOM 0 HD2 HIS B 129 21.211 10.121 -6.611 1.00 0.00 H new ATOM 0 HE1 HIS B 129 20.857 5.979 -7.332 1.00 0.00 H new ATOM 0 HE2 HIS B 129 22.196 8.073 -7.936 1.00 0.00 H new ATOM 2024 N TYR B 130 18.488 10.635 -2.021 1.00 0.00 N ATOM 2025 CA TYR B 130 17.691 11.400 -1.053 1.00 0.00 C ATOM 2026 C TYR B 130 18.435 12.682 -0.776 1.00 0.00 C ATOM 2027 O TYR B 130 17.930 13.774 -0.939 1.00 0.00 O ATOM 2028 CB TYR B 130 17.609 10.605 0.239 1.00 0.00 C ATOM 2029 CG TYR B 130 17.042 11.473 1.333 1.00 0.00 C ATOM 2030 CD1 TYR B 130 16.016 12.377 1.045 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.542 11.376 2.636 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.493 13.179 2.051 1.00 0.00 C ATOM 2033 CE2 TYR B 130 17.014 12.181 3.649 1.00 0.00 C ATOM 2034 CZ TYR B 130 15.987 13.083 3.356 1.00 0.00 C ATOM 2035 OH TYR B 130 15.463 13.882 4.355 1.00 0.00 O ATOM 0 H TYR B 130 18.687 9.669 -1.760 1.00 0.00 H new ATOM 0 HA TYR B 130 16.690 11.598 -1.435 1.00 0.00 H new ATOM 0 HB2 TYR B 130 16.981 9.725 0.097 1.00 0.00 H new ATOM 0 HB3 TYR B 130 18.599 10.248 0.521 1.00 0.00 H new ATOM 0 HD1 TYR B 130 15.629 12.452 0.039 1.00 0.00 H new ATOM 0 HD2 TYR B 130 18.336 10.679 2.859 1.00 0.00 H new ATOM 0 HE1 TYR B 130 14.702 13.879 1.825 1.00 0.00 H new ATOM 0 HE2 TYR B 130 17.398 12.106 4.656 1.00 0.00 H new ATOM 0 HH TYR B 130 16.104 14.589 4.579 1.00 0.00 H new ATOM 2045 N ASN B 131 19.646 12.533 -0.351 1.00 0.00 N ATOM 2046 CA ASN B 131 20.463 13.716 -0.050 1.00 0.00 C ATOM 2047 C ASN B 131 20.702 14.500 -1.334 1.00 0.00 C ATOM 2048 O ASN B 131 20.561 15.705 -1.368 1.00 0.00 O ATOM 2049 CB ASN B 131 21.800 13.289 0.557 1.00 0.00 C ATOM 2050 CG ASN B 131 21.601 12.923 2.029 1.00 0.00 C ATOM 2051 OD1 ASN B 131 21.619 13.783 2.891 1.00 0.00 O ATOM 2052 ND2 ASN B 131 21.413 11.676 2.361 1.00 0.00 N ATOM 0 H ASN B 131 20.106 11.635 -0.199 1.00 0.00 H new ATOM 0 HA ASN B 131 19.938 14.345 0.669 1.00 0.00 H new ATOM 0 HB2 ASN B 131 22.203 12.436 0.011 1.00 0.00 H new ATOM 0 HB3 ASN B 131 22.526 14.097 0.468 1.00 0.00 H new ATOM 0 HD21 ASN B 131 21.282 11.423 3.340 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.397 10.953 1.641 1.00 0.00 H new ATOM 2059 N GLN B 132 21.036 13.830 -2.405 1.00 0.00 N ATOM 2060 CA GLN B 132 21.242 14.578 -3.678 1.00 0.00 C ATOM 2061 C GLN B 132 19.978 15.380 -3.926 1.00 0.00 C ATOM 2062 O GLN B 132 19.997 16.485 -4.430 1.00 0.00 O ATOM 2063 CB GLN B 132 21.472 13.609 -4.846 1.00 0.00 C ATOM 2064 CG GLN B 132 22.158 14.349 -5.996 1.00 0.00 C ATOM 2065 CD GLN B 132 23.635 14.563 -5.662 1.00 0.00 C ATOM 2066 OE1 GLN B 132 24.049 14.370 -4.537 1.00 0.00 O ATOM 2067 NE2 GLN B 132 24.454 14.952 -6.601 1.00 0.00 N ATOM 0 H GLN B 132 21.172 12.820 -2.455 1.00 0.00 H new ATOM 0 HA GLN B 132 22.118 15.223 -3.603 1.00 0.00 H new ATOM 0 HB2 GLN B 132 22.088 12.770 -4.521 1.00 0.00 H new ATOM 0 HB3 GLN B 132 20.521 13.195 -5.182 1.00 0.00 H new ATOM 0 HG2 GLN B 132 22.063 13.776 -6.918 1.00 0.00 H new ATOM 0 HG3 GLN B 132 21.671 15.309 -6.166 1.00 0.00 H new ATOM 0 HE21 GLN B 132 24.106 15.114 -7.546 1.00 0.00 H new ATOM 0 HE22 GLN B 132 25.442 15.094 -6.390 1.00 0.00 H new ATOM 2076 N LEU B 133 18.871 14.817 -3.540 1.00 0.00 N ATOM 2077 CA LEU B 133 17.567 15.507 -3.704 1.00 0.00 C ATOM 2078 C LEU B 133 17.402 16.549 -2.595 1.00 0.00 C ATOM 2079 O LEU B 133 16.828 17.602 -2.797 1.00 0.00 O ATOM 2080 CB LEU B 133 16.433 14.476 -3.598 1.00 0.00 C ATOM 2081 CG LEU B 133 16.062 13.934 -4.987 1.00 0.00 C ATOM 2082 CD1 LEU B 133 16.877 12.680 -5.310 1.00 0.00 C ATOM 2083 CD2 LEU B 133 14.581 13.575 -5.001 1.00 0.00 C ATOM 0 H LEU B 133 18.815 13.893 -3.111 1.00 0.00 H new ATOM 0 HA LEU B 133 17.532 15.997 -4.677 1.00 0.00 H new ATOM 0 HB2 LEU B 133 16.741 13.654 -2.952 1.00 0.00 H new ATOM 0 HB3 LEU B 133 15.559 14.935 -3.136 1.00 0.00 H new ATOM 0 HG LEU B 133 16.277 14.700 -5.732 1.00 0.00 H new ATOM 0 HD11 LEU B 133 16.600 12.311 -6.298 1.00 0.00 H new ATOM 0 HD12 LEU B 133 17.939 12.923 -5.298 1.00 0.00 H new ATOM 0 HD13 LEU B 133 16.673 11.911 -4.565 1.00 0.00 H new ATOM 0 HD21 LEU B 133 14.309 13.189 -5.984 1.00 0.00 H new ATOM 0 HD22 LEU B 133 14.384 12.814 -4.246 1.00 0.00 H new ATOM 0 HD23 LEU B 133 13.989 14.464 -4.784 1.00 0.00 H new ATOM 2095 N PHE B 134 17.891 16.256 -1.423 1.00 0.00 N ATOM 2096 CA PHE B 134 17.750 17.221 -0.295 1.00 0.00 C ATOM 2097 C PHE B 134 18.805 16.940 0.772 1.00 0.00 C ATOM 2098 O PHE B 134 19.834 17.583 0.835 1.00 0.00 O ATOM 2099 CB PHE B 134 16.352 17.066 0.321 1.00 0.00 C ATOM 2100 CG PHE B 134 15.369 17.931 -0.427 1.00 0.00 C ATOM 2101 CD1 PHE B 134 15.229 19.284 -0.095 1.00 0.00 C ATOM 2102 CD2 PHE B 134 14.604 17.380 -1.457 1.00 0.00 C ATOM 2103 CE1 PHE B 134 14.317 20.086 -0.795 1.00 0.00 C ATOM 2104 CE2 PHE B 134 13.691 18.181 -2.158 1.00 0.00 C ATOM 2105 CZ PHE B 134 13.550 19.533 -1.827 1.00 0.00 C ATOM 0 H PHE B 134 18.382 15.391 -1.196 1.00 0.00 H new ATOM 0 HA PHE B 134 17.886 18.236 -0.669 1.00 0.00 H new ATOM 0 HB2 PHE B 134 16.039 16.023 0.279 1.00 0.00 H new ATOM 0 HB3 PHE B 134 16.374 17.350 1.373 1.00 0.00 H new ATOM 0 HD1 PHE B 134 15.823 19.710 0.700 1.00 0.00 H new ATOM 0 HD2 PHE B 134 14.715 16.337 -1.714 1.00 0.00 H new ATOM 0 HE1 PHE B 134 14.206 21.129 -0.538 1.00 0.00 H new ATOM 0 HE2 PHE B 134 13.097 17.754 -2.953 1.00 0.00 H new ATOM 0 HZ PHE B 134 12.849 20.151 -2.368 1.00 0.00 H new ATOM 2115 N GLY B 135 18.548 15.983 1.616 1.00 0.00 N ATOM 2116 CA GLY B 135 19.520 15.650 2.695 1.00 0.00 C ATOM 2117 C GLY B 135 19.250 16.527 3.918 1.00 0.00 C ATOM 2118 O GLY B 135 20.146 16.872 4.661 1.00 0.00 O ATOM 0 H GLY B 135 17.702 15.413 1.606 1.00 0.00 H new ATOM 0 HA2 GLY B 135 19.434 14.597 2.964 1.00 0.00 H new ATOM 0 HA3 GLY B 135 20.539 15.806 2.341 1.00 0.00 H new ATOM 2122 N ASP B 136 18.016 16.889 4.131 1.00 0.00 N ATOM 2123 CA ASP B 136 17.681 17.744 5.305 1.00 0.00 C ATOM 2124 C ASP B 136 18.644 18.934 5.362 1.00 0.00 C ATOM 2125 O ASP B 136 19.247 19.206 6.379 1.00 0.00 O ATOM 2126 CB ASP B 136 17.808 16.923 6.589 1.00 0.00 C ATOM 2127 CG ASP B 136 16.637 15.944 6.686 1.00 0.00 C ATOM 2128 OD1 ASP B 136 15.944 15.780 5.697 1.00 0.00 O ATOM 2129 OD2 ASP B 136 16.453 15.376 7.750 1.00 0.00 O ATOM 0 H ASP B 136 17.224 16.630 3.543 1.00 0.00 H new ATOM 0 HA ASP B 136 16.658 18.108 5.208 1.00 0.00 H new ATOM 0 HB2 ASP B 136 18.752 16.379 6.593 1.00 0.00 H new ATOM 0 HB3 ASP B 136 17.817 17.583 7.456 1.00 0.00 H new ATOM 2134 N VAL B 137 18.792 19.641 4.276 1.00 0.00 N ATOM 2135 CA VAL B 137 19.715 20.813 4.271 1.00 0.00 C ATOM 2136 C VAL B 137 19.386 21.715 3.080 1.00 0.00 C ATOM 2137 O VAL B 137 19.808 21.511 3.008 1.00 0.00 O ATOM 2138 CB VAL B 137 21.158 20.322 4.155 1.00 0.00 C ATOM 2139 CG1 VAL B 137 21.358 19.635 2.803 1.00 0.00 C ATOM 2140 CG2 VAL B 137 22.110 21.514 4.265 1.00 0.00 C ATOM 0 H VAL B 137 18.315 19.459 3.393 1.00 0.00 H new ATOM 0 HA VAL B 137 19.595 21.376 5.197 1.00 0.00 H new ATOM 0 HB VAL B 137 21.366 19.613 4.956 1.00 0.00 H new ATOM 0 HG11 VAL B 137 22.387 19.285 2.721 1.00 0.00 H new ATOM 0 HG12 VAL B 137 20.679 18.786 2.722 1.00 0.00 H new ATOM 0 HG13 VAL B 137 21.151 20.343 2.001 1.00 0.00 H new ATOM 0 HG21 VAL B 137 23.140 21.166 4.183 1.00 0.00 H new ATOM 0 HG22 VAL B 137 21.901 22.222 3.463 1.00 0.00 H new ATOM 0 HG23 VAL B 137 21.969 22.005 5.228 1.00 0.00 H new TER 2150 VAL B 137 HETATM 2151 ZN ZN B 138 5.568 -5.642 -5.084 1.00 0.00 ZN HETATM 2152 ZN ZN B 139 18.398 5.984 -5.301 1.00 0.00 ZN