USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 602 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 ASN : amide:sc= -2.55! C(o=-2.4!,f=-4.9!) USER MOD Set 1.2: A 70 LYS NZ :NH3+ -146:sc= 0.132 (180deg=0) USER MOD Set 2.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 18 ASN :FLIP amide:sc= -1.02 F(o=-5.4!,f=-1) USER MOD Set 3.2: A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0686 (180deg=-0.465) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot -13:sc= -1.09! USER MOD Single : A 20 SER OG : rot 5:sc= 0.0244 USER MOD Single : A 23 LYS NZ :NH3+ -149:sc= -0.855 (180deg=-2.37!) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc=-0.00764 (180deg=-0.18) USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= -0.0064 (180deg=-0.138) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0353 USER MOD Single : A 35 LYS NZ :NH3+ -160:sc= 0.881 (180deg=0.613) USER MOD Single : A 38 THR OG1 : rot 101:sc= 1.22 USER MOD Single : A 46 THR OG1 : rot -83:sc= 0.562 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -63:sc= 0.528 USER MOD Single : A 58 LYS NZ :NH3+ 148:sc= 1.15 (180deg=-0.349!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -33:sc= 0.664 USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 1.58 (180deg=1.35) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.498 -19.471 -7.338 1.00 0.00 N ATOM 2 CA MET A 1 -10.357 -18.532 -7.314 1.00 0.00 C ATOM 3 C MET A 1 -10.481 -17.578 -6.136 1.00 0.00 C ATOM 4 O MET A 1 -11.277 -16.635 -6.163 1.00 0.00 O ATOM 5 CB MET A 1 -10.280 -17.747 -8.629 1.00 0.00 C ATOM 6 CG MET A 1 -9.149 -16.730 -8.669 1.00 0.00 C ATOM 7 SD MET A 1 -7.526 -17.474 -8.410 1.00 0.00 S ATOM 8 CE MET A 1 -7.431 -18.595 -9.807 1.00 0.00 C ATOM 0 H1 MET A 1 -11.400 -20.116 -8.148 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.513 -20.022 -6.456 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.386 -18.936 -7.427 1.00 0.00 H new ATOM 0 HA MET A 1 -9.439 -19.108 -7.201 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.155 -18.449 -9.454 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.227 -17.231 -8.790 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.160 -16.220 -9.632 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.322 -15.972 -7.905 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.401 -18.925 -9.939 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.069 -19.460 -9.624 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.766 -18.082 -10.709 1.00 0.00 H new ATOM 20 N SER A 2 -9.700 -17.834 -5.102 1.00 0.00 N ATOM 21 CA SER A 2 -9.719 -17.014 -3.907 1.00 0.00 C ATOM 22 C SER A 2 -8.302 -16.621 -3.510 1.00 0.00 C ATOM 23 O SER A 2 -7.670 -17.281 -2.686 1.00 0.00 O ATOM 24 CB SER A 2 -10.400 -17.765 -2.762 1.00 0.00 C ATOM 25 OG SER A 2 -11.707 -18.184 -3.128 1.00 0.00 O ATOM 0 H SER A 2 -9.040 -18.611 -5.068 1.00 0.00 H new ATOM 0 HA SER A 2 -10.285 -16.106 -4.117 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.801 -18.633 -2.486 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.454 -17.122 -1.883 1.00 0.00 H new ATOM 0 HG SER A 2 -12.119 -18.663 -2.379 1.00 0.00 H new ATOM 31 N ILE A 3 -7.803 -15.562 -4.125 1.00 0.00 N ATOM 32 CA ILE A 3 -6.474 -15.051 -3.822 1.00 0.00 C ATOM 33 C ILE A 3 -6.587 -13.753 -3.039 1.00 0.00 C ATOM 34 O ILE A 3 -5.973 -12.744 -3.378 1.00 0.00 O ATOM 35 CB ILE A 3 -5.642 -14.828 -5.104 1.00 0.00 C ATOM 36 CG1 ILE A 3 -6.404 -13.943 -6.101 1.00 0.00 C ATOM 37 CG2 ILE A 3 -5.275 -16.170 -5.727 1.00 0.00 C ATOM 38 CD1 ILE A 3 -5.677 -13.735 -7.413 1.00 0.00 C ATOM 0 H ILE A 3 -8.301 -15.035 -4.842 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.957 -15.797 -3.219 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.721 -14.308 -4.840 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.376 -14.393 -6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -6.591 -12.972 -5.642 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.688 -16.003 -6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.689 -16.753 -5.016 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.185 -16.714 -5.980 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -6.277 -13.100 -8.065 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.716 -13.256 -7.225 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.514 -14.699 -7.895 1.00 0.00 H new ATOM 50 N GLU A 4 -7.395 -13.802 -1.991 1.00 0.00 N ATOM 51 CA GLU A 4 -7.665 -12.641 -1.158 1.00 0.00 C ATOM 52 C GLU A 4 -6.380 -12.024 -0.627 1.00 0.00 C ATOM 53 O GLU A 4 -5.542 -12.699 -0.038 1.00 0.00 O ATOM 54 CB GLU A 4 -8.580 -13.031 -0.004 1.00 0.00 C ATOM 55 CG GLU A 4 -9.978 -13.398 -0.454 1.00 0.00 C ATOM 56 CD GLU A 4 -10.825 -13.957 0.668 1.00 0.00 C ATOM 57 OE1 GLU A 4 -10.592 -15.113 1.077 1.00 0.00 O ATOM 58 OE2 GLU A 4 -11.729 -13.241 1.149 1.00 0.00 O ATOM 0 H GLU A 4 -7.882 -14.648 -1.694 1.00 0.00 H new ATOM 0 HA GLU A 4 -8.161 -11.892 -1.774 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.143 -13.875 0.529 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.638 -12.203 0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -10.466 -12.515 -0.867 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.916 -14.132 -1.257 1.00 0.00 H new ATOM 65 N VAL A 5 -6.241 -10.734 -0.851 1.00 0.00 N ATOM 66 CA VAL A 5 -5.054 -10.006 -0.430 1.00 0.00 C ATOM 67 C VAL A 5 -5.394 -9.085 0.735 1.00 0.00 C ATOM 68 O VAL A 5 -6.372 -8.341 0.671 1.00 0.00 O ATOM 69 CB VAL A 5 -4.473 -9.160 -1.582 1.00 0.00 C ATOM 70 CG1 VAL A 5 -3.063 -8.702 -1.250 1.00 0.00 C ATOM 71 CG2 VAL A 5 -4.493 -9.930 -2.896 1.00 0.00 C ATOM 0 H VAL A 5 -6.939 -10.161 -1.326 1.00 0.00 H new ATOM 0 HA VAL A 5 -4.308 -10.740 -0.125 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.103 -8.279 -1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.670 -8.107 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.081 -8.098 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.425 -9.572 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.077 -9.308 -3.689 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.896 -10.836 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -5.520 -10.198 -3.145 1.00 0.00 H new ATOM 81 N ARG A 6 -4.601 -9.139 1.800 1.00 0.00 N ATOM 82 CA ARG A 6 -4.851 -8.303 2.972 1.00 0.00 C ATOM 83 C ARG A 6 -3.570 -7.609 3.414 1.00 0.00 C ATOM 84 O ARG A 6 -2.478 -7.997 3.004 1.00 0.00 O ATOM 85 CB ARG A 6 -5.404 -9.120 4.147 1.00 0.00 C ATOM 86 CG ARG A 6 -6.396 -10.201 3.760 1.00 0.00 C ATOM 87 CD ARG A 6 -5.693 -11.539 3.617 1.00 0.00 C ATOM 88 NE ARG A 6 -6.614 -12.643 3.369 1.00 0.00 N ATOM 89 CZ ARG A 6 -6.239 -13.810 2.843 1.00 0.00 C ATOM 90 NH1 ARG A 6 -4.983 -13.994 2.456 1.00 0.00 N ATOM 91 NH2 ARG A 6 -7.120 -14.790 2.691 1.00 0.00 N ATOM 0 H ARG A 6 -3.786 -9.747 1.877 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.596 -7.562 2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.570 -9.584 4.673 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.885 -8.440 4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.178 -10.273 4.516 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.883 -9.937 2.821 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.976 -11.481 2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.125 -11.744 4.525 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.597 -12.516 3.611 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.302 -13.242 2.561 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.699 -14.887 2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.089 -14.653 2.977 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -6.828 -15.680 2.288 1.00 0.00 H new ATOM 105 N ASP A 7 -3.713 -6.599 4.262 1.00 0.00 N ATOM 106 CA ASP A 7 -2.569 -5.846 4.783 1.00 0.00 C ATOM 107 C ASP A 7 -1.887 -6.615 5.914 1.00 0.00 C ATOM 108 O ASP A 7 -2.146 -7.803 6.115 1.00 0.00 O ATOM 109 CB ASP A 7 -3.031 -4.474 5.295 1.00 0.00 C ATOM 110 CG ASP A 7 -3.586 -4.522 6.707 1.00 0.00 C ATOM 111 OD1 ASP A 7 -4.588 -5.229 6.941 1.00 0.00 O ATOM 112 OD2 ASP A 7 -2.991 -3.875 7.594 1.00 0.00 O ATOM 0 H ASP A 7 -4.616 -6.277 4.609 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.853 -5.707 3.973 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.191 -3.780 5.264 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.795 -4.081 4.624 1.00 0.00 H new ATOM 117 N CYS A 8 -1.020 -5.926 6.649 1.00 0.00 N ATOM 118 CA CYS A 8 -0.310 -6.523 7.770 1.00 0.00 C ATOM 119 C CYS A 8 -1.279 -6.997 8.855 1.00 0.00 C ATOM 120 O CYS A 8 -1.039 -8.016 9.507 1.00 0.00 O ATOM 121 CB CYS A 8 0.681 -5.511 8.353 1.00 0.00 C ATOM 122 SG CYS A 8 -0.073 -3.943 8.849 1.00 0.00 S ATOM 0 H CYS A 8 -0.792 -4.945 6.485 1.00 0.00 H new ATOM 0 HA CYS A 8 0.233 -7.395 7.404 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.172 -5.956 9.219 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.457 -5.311 7.614 1.00 0.00 H new ATOM 0 HG CYS A 8 -1.274 -3.864 8.357 1.00 0.00 H new ATOM 128 N ASN A 9 -2.378 -6.269 9.037 1.00 0.00 N ATOM 129 CA ASN A 9 -3.344 -6.597 10.065 1.00 0.00 C ATOM 130 C ASN A 9 -4.259 -7.721 9.606 1.00 0.00 C ATOM 131 O ASN A 9 -4.597 -8.617 10.378 1.00 0.00 O ATOM 132 CB ASN A 9 -4.178 -5.371 10.425 1.00 0.00 C ATOM 133 CG ASN A 9 -3.394 -4.305 11.172 1.00 0.00 C ATOM 134 OD1 ASN A 9 -3.735 -3.129 11.122 1.00 0.00 O ATOM 135 ND2 ASN A 9 -2.340 -4.706 11.865 1.00 0.00 N ATOM 0 H ASN A 9 -2.616 -5.448 8.481 1.00 0.00 H new ATOM 0 HA ASN A 9 -2.796 -6.928 10.948 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -4.586 -4.938 9.512 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.025 -5.684 11.036 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.781 -4.027 12.381 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.087 -5.694 11.883 1.00 0.00 H new ATOM 142 N GLY A 10 -4.660 -7.669 8.348 1.00 0.00 N ATOM 143 CA GLY A 10 -5.528 -8.696 7.815 1.00 0.00 C ATOM 144 C GLY A 10 -6.775 -8.120 7.183 1.00 0.00 C ATOM 145 O GLY A 10 -7.773 -8.820 7.013 1.00 0.00 O ATOM 0 H GLY A 10 -4.401 -6.936 7.687 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.984 -9.280 7.073 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.811 -9.381 8.614 1.00 0.00 H new ATOM 149 N ALA A 11 -6.721 -6.845 6.832 1.00 0.00 N ATOM 150 CA ALA A 11 -7.830 -6.194 6.164 1.00 0.00 C ATOM 151 C ALA A 11 -7.662 -6.314 4.657 1.00 0.00 C ATOM 152 O ALA A 11 -6.584 -6.057 4.124 1.00 0.00 O ATOM 153 CB ALA A 11 -7.923 -4.738 6.587 1.00 0.00 C ATOM 0 H ALA A 11 -5.917 -6.241 7.001 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.760 -6.685 6.451 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -8.761 -4.264 6.076 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.076 -4.681 7.665 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.999 -4.223 6.324 1.00 0.00 H new ATOM 159 N LEU A 12 -8.727 -6.711 3.983 1.00 0.00 N ATOM 160 CA LEU A 12 -8.671 -7.023 2.564 1.00 0.00 C ATOM 161 C LEU A 12 -8.479 -5.772 1.714 1.00 0.00 C ATOM 162 O LEU A 12 -9.014 -4.702 2.018 1.00 0.00 O ATOM 163 CB LEU A 12 -9.940 -7.768 2.151 1.00 0.00 C ATOM 164 CG LEU A 12 -10.002 -9.223 2.612 1.00 0.00 C ATOM 165 CD1 LEU A 12 -11.440 -9.715 2.646 1.00 0.00 C ATOM 166 CD2 LEU A 12 -9.178 -10.092 1.684 1.00 0.00 C ATOM 0 H LEU A 12 -9.651 -6.826 4.400 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.805 -7.662 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.804 -7.237 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.024 -7.741 1.065 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.593 -9.286 3.621 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.462 -10.753 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.018 -9.102 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.873 -9.643 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.226 -11.128 2.018 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.573 -10.019 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.141 -9.755 1.695 1.00 0.00 H new ATOM 178 N LEU A 13 -7.699 -5.923 0.655 1.00 0.00 N ATOM 179 CA LEU A 13 -7.392 -4.827 -0.252 1.00 0.00 C ATOM 180 C LEU A 13 -8.095 -5.025 -1.592 1.00 0.00 C ATOM 181 O LEU A 13 -8.702 -6.071 -1.835 1.00 0.00 O ATOM 182 CB LEU A 13 -5.879 -4.740 -0.474 1.00 0.00 C ATOM 183 CG LEU A 13 -5.053 -4.439 0.776 1.00 0.00 C ATOM 184 CD1 LEU A 13 -3.570 -4.606 0.487 1.00 0.00 C ATOM 185 CD2 LEU A 13 -5.337 -3.030 1.268 1.00 0.00 C ATOM 0 H LEU A 13 -7.261 -6.808 0.400 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.747 -3.899 0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.536 -5.684 -0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.681 -3.966 -1.216 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.336 -5.146 1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.997 -4.388 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.374 -5.631 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.274 -3.919 -0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.742 -2.829 2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.077 -2.313 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.396 -2.936 1.510 1.00 0.00 H new ATOM 197 N ALA A 14 -7.992 -4.021 -2.457 1.00 0.00 N ATOM 198 CA ALA A 14 -8.572 -4.075 -3.795 1.00 0.00 C ATOM 199 C ALA A 14 -7.981 -2.971 -4.660 1.00 0.00 C ATOM 200 O ALA A 14 -7.183 -2.168 -4.177 1.00 0.00 O ATOM 201 CB ALA A 14 -10.088 -3.944 -3.730 1.00 0.00 C ATOM 0 H ALA A 14 -7.505 -3.149 -2.251 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.333 -5.041 -4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.500 -3.987 -4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.499 -4.760 -3.135 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.352 -2.991 -3.270 1.00 0.00 H new ATOM 207 N ASP A 15 -8.350 -2.942 -5.937 1.00 0.00 N ATOM 208 CA ASP A 15 -7.909 -1.872 -6.832 1.00 0.00 C ATOM 209 C ASP A 15 -8.430 -0.519 -6.349 1.00 0.00 C ATOM 210 O ASP A 15 -9.631 -0.339 -6.130 1.00 0.00 O ATOM 211 CB ASP A 15 -8.378 -2.123 -8.269 1.00 0.00 C ATOM 212 CG ASP A 15 -7.803 -1.116 -9.254 1.00 0.00 C ATOM 213 OD1 ASP A 15 -8.294 0.032 -9.305 1.00 0.00 O ATOM 214 OD2 ASP A 15 -6.858 -1.470 -9.993 1.00 0.00 O ATOM 0 H ASP A 15 -8.949 -3.641 -6.375 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.819 -1.861 -6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.088 -3.129 -8.572 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.467 -2.081 -8.305 1.00 0.00 H new ATOM 219 N GLY A 16 -7.515 0.418 -6.165 1.00 0.00 N ATOM 220 CA GLY A 16 -7.882 1.739 -5.712 1.00 0.00 C ATOM 221 C GLY A 16 -7.900 1.834 -4.202 1.00 0.00 C ATOM 222 O GLY A 16 -8.475 2.766 -3.639 1.00 0.00 O ATOM 0 H GLY A 16 -6.516 0.284 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.178 2.469 -6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.866 1.996 -6.104 1.00 0.00 H new ATOM 226 N ASP A 17 -7.290 0.859 -3.544 1.00 0.00 N ATOM 227 CA ASP A 17 -7.220 0.852 -2.090 1.00 0.00 C ATOM 228 C ASP A 17 -5.969 1.582 -1.638 1.00 0.00 C ATOM 229 O ASP A 17 -5.129 1.949 -2.460 1.00 0.00 O ATOM 230 CB ASP A 17 -7.217 -0.577 -1.554 1.00 0.00 C ATOM 231 CG ASP A 17 -7.981 -0.697 -0.253 1.00 0.00 C ATOM 232 OD1 ASP A 17 -7.403 -0.429 0.819 1.00 0.00 O ATOM 233 OD2 ASP A 17 -9.173 -1.065 -0.300 1.00 0.00 O ATOM 0 H ASP A 17 -6.837 0.063 -3.993 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.099 1.361 -1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -7.658 -1.243 -2.296 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.189 -0.905 -1.402 1.00 0.00 H new ATOM 238 N ASN A 18 -5.840 1.812 -0.343 1.00 0.00 N ATOM 239 CA ASN A 18 -4.702 2.567 0.177 1.00 0.00 C ATOM 240 C ASN A 18 -3.956 1.760 1.218 1.00 0.00 C ATOM 241 O ASN A 18 -4.552 1.023 2.001 1.00 0.00 O ATOM 242 CB ASN A 18 -5.125 3.877 0.842 1.00 0.00 C ATOM 243 CG ASN A 18 -5.723 4.927 -0.086 1.00 0.00 C ATOM 244 OD1 ASN A 18 -6.330 4.510 -1.182 1.00 0.00 O flip ATOM 245 ND2 ASN A 18 -5.632 6.122 0.190 1.00 0.00 N flip ATOM 0 H ASN A 18 -6.500 1.492 0.366 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.070 2.784 -0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.854 3.649 1.620 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.255 4.309 1.337 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.157 6.413 1.044 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -6.032 6.822 -0.435 1.00 0.00 H new ATOM 252 N VAL A 19 -2.656 1.949 1.240 1.00 0.00 N ATOM 253 CA VAL A 19 -1.786 1.311 2.216 1.00 0.00 C ATOM 254 C VAL A 19 -0.651 2.259 2.582 1.00 0.00 C ATOM 255 O VAL A 19 -0.506 3.323 1.980 1.00 0.00 O ATOM 256 CB VAL A 19 -1.191 -0.029 1.713 1.00 0.00 C ATOM 257 CG1 VAL A 19 -2.284 -1.063 1.489 1.00 0.00 C ATOM 258 CG2 VAL A 19 -0.382 0.178 0.444 1.00 0.00 C ATOM 0 H VAL A 19 -2.165 2.552 0.580 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.399 1.084 3.088 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.522 -0.406 2.486 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.838 -1.993 1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.810 -1.245 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.988 -0.693 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.025 -0.777 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.025 0.589 -0.334 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.436 0.871 0.643 1.00 0.00 H new ATOM 268 N SER A 20 0.134 1.891 3.577 1.00 0.00 N ATOM 269 CA SER A 20 1.256 2.708 4.010 1.00 0.00 C ATOM 270 C SER A 20 2.320 1.848 4.693 1.00 0.00 C ATOM 271 O SER A 20 2.024 0.761 5.188 1.00 0.00 O ATOM 272 CB SER A 20 0.765 3.814 4.949 1.00 0.00 C ATOM 273 OG SER A 20 -0.061 4.744 4.266 1.00 0.00 O ATOM 0 H SER A 20 0.015 1.026 4.105 1.00 0.00 H new ATOM 0 HA SER A 20 1.712 3.170 3.134 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.210 3.371 5.776 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.621 4.333 5.381 1.00 0.00 H new ATOM 0 HG SER A 20 -0.212 4.435 3.348 1.00 0.00 H new ATOM 279 N LEU A 21 3.554 2.338 4.693 1.00 0.00 N ATOM 280 CA LEU A 21 4.685 1.628 5.289 1.00 0.00 C ATOM 281 C LEU A 21 4.594 1.602 6.813 1.00 0.00 C ATOM 282 O LEU A 21 4.437 2.647 7.448 1.00 0.00 O ATOM 283 CB LEU A 21 5.997 2.302 4.865 1.00 0.00 C ATOM 284 CG LEU A 21 6.582 1.857 3.518 1.00 0.00 C ATOM 285 CD1 LEU A 21 7.089 0.434 3.614 1.00 0.00 C ATOM 286 CD2 LEU A 21 5.561 1.979 2.397 1.00 0.00 C ATOM 0 H LEU A 21 3.801 3.238 4.281 1.00 0.00 H new ATOM 0 HA LEU A 21 4.660 0.598 4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.833 3.379 4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.742 2.119 5.639 1.00 0.00 H new ATOM 0 HG LEU A 21 7.415 2.519 3.281 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.502 0.129 2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.865 0.375 4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.266 -0.228 3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.011 1.655 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.698 1.352 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.242 3.017 2.307 1.00 0.00 H new ATOM 298 N ILE A 22 4.707 0.410 7.395 1.00 0.00 N ATOM 299 CA ILE A 22 4.658 0.262 8.853 1.00 0.00 C ATOM 300 C ILE A 22 6.056 0.337 9.452 1.00 0.00 C ATOM 301 O ILE A 22 6.223 0.408 10.667 1.00 0.00 O ATOM 302 CB ILE A 22 4.009 -1.075 9.281 1.00 0.00 C ATOM 303 CG1 ILE A 22 4.848 -2.263 8.795 1.00 0.00 C ATOM 304 CG2 ILE A 22 2.591 -1.171 8.747 1.00 0.00 C ATOM 305 CD1 ILE A 22 4.335 -3.610 9.260 1.00 0.00 C ATOM 0 H ILE A 22 4.833 -0.465 6.885 1.00 0.00 H new ATOM 0 HA ILE A 22 4.046 1.084 9.226 1.00 0.00 H new ATOM 0 HB ILE A 22 3.971 -1.106 10.370 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.877 -2.253 7.705 1.00 0.00 H new ATOM 0 HG13 ILE A 22 5.874 -2.137 9.142 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.149 -2.118 9.057 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.997 -0.347 9.141 1.00 0.00 H new ATOM 0 HG23 ILE A 22 2.608 -1.118 7.658 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.982 -4.398 8.875 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.333 -3.642 10.350 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.321 -3.760 8.891 1.00 0.00 H new ATOM 317 N LYS A 23 7.052 0.309 8.585 1.00 0.00 N ATOM 318 CA LYS A 23 8.445 0.382 8.993 1.00 0.00 C ATOM 319 C LYS A 23 9.286 0.865 7.827 1.00 0.00 C ATOM 320 O LYS A 23 8.761 1.072 6.731 1.00 0.00 O ATOM 321 CB LYS A 23 8.950 -0.985 9.478 1.00 0.00 C ATOM 322 CG LYS A 23 8.462 -2.156 8.639 1.00 0.00 C ATOM 323 CD LYS A 23 9.450 -3.320 8.614 1.00 0.00 C ATOM 324 CE LYS A 23 9.620 -4.000 9.971 1.00 0.00 C ATOM 325 NZ LYS A 23 10.373 -3.165 10.947 1.00 0.00 N ATOM 0 H LYS A 23 6.919 0.235 7.576 1.00 0.00 H new ATOM 0 HA LYS A 23 8.530 1.085 9.822 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.040 -0.980 9.477 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.633 -1.133 10.510 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.507 -2.505 9.032 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.282 -1.816 7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.113 -4.058 7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.420 -2.957 8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.637 -4.232 10.381 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.140 -4.948 9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.904 -3.782 11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.036 -2.547 10.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.706 -2.582 11.492 1.00 0.00 H new ATOM 339 N ASP A 24 10.576 1.055 8.055 1.00 0.00 N ATOM 340 CA ASP A 24 11.470 1.461 6.980 1.00 0.00 C ATOM 341 C ASP A 24 11.953 0.231 6.219 1.00 0.00 C ATOM 342 O ASP A 24 12.584 -0.658 6.796 1.00 0.00 O ATOM 343 CB ASP A 24 12.685 2.243 7.501 1.00 0.00 C ATOM 344 CG ASP A 24 12.349 3.278 8.553 1.00 0.00 C ATOM 345 OD1 ASP A 24 11.282 3.912 8.469 1.00 0.00 O ATOM 346 OD2 ASP A 24 13.177 3.491 9.466 1.00 0.00 O ATOM 0 H ASP A 24 11.024 0.937 8.963 1.00 0.00 H new ATOM 0 HA ASP A 24 10.906 2.119 6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.406 1.539 7.917 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.172 2.739 6.661 1.00 0.00 H new ATOM 351 N LEU A 25 11.635 0.178 4.933 1.00 0.00 N ATOM 352 CA LEU A 25 12.057 -0.922 4.073 1.00 0.00 C ATOM 353 C LEU A 25 13.021 -0.408 3.015 1.00 0.00 C ATOM 354 O LEU A 25 12.629 0.313 2.098 1.00 0.00 O ATOM 355 CB LEU A 25 10.856 -1.595 3.385 1.00 0.00 C ATOM 356 CG LEU A 25 10.000 -2.540 4.245 1.00 0.00 C ATOM 357 CD1 LEU A 25 10.835 -3.675 4.815 1.00 0.00 C ATOM 358 CD2 LEU A 25 9.297 -1.793 5.360 1.00 0.00 C ATOM 0 H LEU A 25 11.081 0.890 4.458 1.00 0.00 H new ATOM 0 HA LEU A 25 12.551 -1.664 4.700 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.207 -0.812 2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.228 -2.159 2.529 1.00 0.00 H new ATOM 0 HG LEU A 25 9.240 -2.967 3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.201 -4.325 5.418 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.273 -4.250 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.630 -3.265 5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.701 -2.492 5.947 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.038 -1.318 6.003 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.645 -1.031 4.933 1.00 0.00 H new ATOM 370 N LYS A 26 14.279 -0.781 3.137 1.00 0.00 N ATOM 371 CA LYS A 26 15.300 -0.325 2.209 1.00 0.00 C ATOM 372 C LYS A 26 15.431 -1.304 1.047 1.00 0.00 C ATOM 373 O LYS A 26 15.267 -2.514 1.214 1.00 0.00 O ATOM 374 CB LYS A 26 16.634 -0.158 2.942 1.00 0.00 C ATOM 375 CG LYS A 26 17.772 0.361 2.074 1.00 0.00 C ATOM 376 CD LYS A 26 18.811 -0.717 1.799 1.00 0.00 C ATOM 377 CE LYS A 26 19.513 -1.163 3.073 1.00 0.00 C ATOM 378 NZ LYS A 26 20.274 -0.056 3.711 1.00 0.00 N ATOM 0 H LYS A 26 14.622 -1.401 3.871 1.00 0.00 H new ATOM 0 HA LYS A 26 15.009 0.644 1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.491 0.526 3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.925 -1.120 3.363 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.370 0.728 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.249 1.208 2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.329 -1.575 1.330 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.548 -0.339 1.091 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.775 -1.548 3.777 1.00 0.00 H new ATOM 0 HE3 LYS A 26 20.192 -1.984 2.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.894 -0.443 4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 20.851 0.428 2.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 19.610 0.622 4.136 1.00 0.00 H new ATOM 392 N LEU A 27 15.701 -0.771 -0.130 1.00 0.00 N ATOM 393 CA LEU A 27 15.843 -1.571 -1.332 1.00 0.00 C ATOM 394 C LEU A 27 17.310 -1.839 -1.623 1.00 0.00 C ATOM 395 O LEU A 27 18.152 -0.962 -1.440 1.00 0.00 O ATOM 396 CB LEU A 27 15.210 -0.845 -2.518 1.00 0.00 C ATOM 397 CG LEU A 27 13.685 -0.734 -2.490 1.00 0.00 C ATOM 398 CD1 LEU A 27 13.188 0.017 -3.716 1.00 0.00 C ATOM 399 CD2 LEU A 27 13.045 -2.113 -2.411 1.00 0.00 C ATOM 0 H LEU A 27 15.828 0.230 -0.280 1.00 0.00 H new ATOM 0 HA LEU A 27 15.335 -2.523 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.628 0.160 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.502 -1.360 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 27 13.397 -0.175 -1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.101 0.089 -3.683 1.00 0.00 H new ATOM 0 HD12 LEU A 27 13.617 1.019 -3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 27 13.489 -0.517 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 27 11.960 -2.010 -2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.339 -2.701 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.377 -2.617 -1.503 1.00 0.00 H new ATOM 411 N LYS A 28 17.610 -3.040 -2.089 1.00 0.00 N ATOM 412 CA LYS A 28 18.981 -3.404 -2.413 1.00 0.00 C ATOM 413 C LYS A 28 19.365 -2.891 -3.798 1.00 0.00 C ATOM 414 O LYS A 28 18.496 -2.554 -4.608 1.00 0.00 O ATOM 415 CB LYS A 28 19.183 -4.921 -2.311 1.00 0.00 C ATOM 416 CG LYS A 28 18.184 -5.754 -3.096 1.00 0.00 C ATOM 417 CD LYS A 28 18.501 -5.781 -4.581 1.00 0.00 C ATOM 418 CE LYS A 28 17.529 -6.661 -5.350 1.00 0.00 C ATOM 419 NZ LYS A 28 17.659 -8.094 -4.976 1.00 0.00 N ATOM 0 H LYS A 28 16.925 -3.778 -2.251 1.00 0.00 H new ATOM 0 HA LYS A 28 19.639 -2.930 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 28 20.188 -5.163 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 28 19.130 -5.210 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 28 18.179 -6.773 -2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 28 17.182 -5.352 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.466 -4.767 -4.979 1.00 0.00 H new ATOM 0 HD3 LYS A 28 19.517 -6.146 -4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.509 -6.328 -5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.706 -6.548 -6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.119 -8.678 -5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.661 -8.371 -5.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.287 -8.237 -4.015 1.00 0.00 H new ATOM 433 N GLY A 29 20.661 -2.814 -4.058 1.00 0.00 N ATOM 434 CA GLY A 29 21.139 -2.364 -5.350 1.00 0.00 C ATOM 435 C GLY A 29 21.580 -0.918 -5.317 1.00 0.00 C ATOM 436 O GLY A 29 22.674 -0.580 -5.770 1.00 0.00 O ATOM 0 H GLY A 29 21.395 -3.057 -3.393 1.00 0.00 H new ATOM 0 HA2 GLY A 29 21.973 -2.990 -5.667 1.00 0.00 H new ATOM 0 HA3 GLY A 29 20.349 -2.486 -6.091 1.00 0.00 H new ATOM 440 N SER A 30 20.729 -0.065 -4.774 1.00 0.00 N ATOM 441 CA SER A 30 21.035 1.346 -4.643 1.00 0.00 C ATOM 442 C SER A 30 20.617 1.855 -3.266 1.00 0.00 C ATOM 443 O SER A 30 20.068 1.103 -2.462 1.00 0.00 O ATOM 444 CB SER A 30 20.353 2.142 -5.762 1.00 0.00 C ATOM 445 OG SER A 30 18.991 1.768 -5.924 1.00 0.00 O ATOM 0 H SER A 30 19.812 -0.330 -4.414 1.00 0.00 H new ATOM 0 HA SER A 30 22.112 1.486 -4.738 1.00 0.00 H new ATOM 0 HB2 SER A 30 20.413 3.207 -5.538 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.887 1.982 -6.699 1.00 0.00 H new ATOM 0 HG SER A 30 18.590 2.298 -6.644 1.00 0.00 H new ATOM 451 N SER A 31 20.863 3.128 -3.002 1.00 0.00 N ATOM 452 CA SER A 31 20.626 3.702 -1.684 1.00 0.00 C ATOM 453 C SER A 31 19.168 4.131 -1.491 1.00 0.00 C ATOM 454 O SER A 31 18.896 5.176 -0.895 1.00 0.00 O ATOM 455 CB SER A 31 21.567 4.893 -1.495 1.00 0.00 C ATOM 456 OG SER A 31 21.621 5.687 -2.673 1.00 0.00 O ATOM 0 H SER A 31 21.229 3.789 -3.687 1.00 0.00 H new ATOM 0 HA SER A 31 20.826 2.939 -0.932 1.00 0.00 H new ATOM 0 HB2 SER A 31 21.227 5.501 -0.657 1.00 0.00 H new ATOM 0 HB3 SER A 31 22.566 4.536 -1.246 1.00 0.00 H new ATOM 0 HG SER A 31 22.227 6.444 -2.530 1.00 0.00 H new ATOM 462 N THR A 32 18.232 3.318 -1.966 1.00 0.00 N ATOM 463 CA THR A 32 16.820 3.642 -1.842 1.00 0.00 C ATOM 464 C THR A 32 16.253 3.081 -0.541 1.00 0.00 C ATOM 465 O THR A 32 16.029 1.878 -0.414 1.00 0.00 O ATOM 466 CB THR A 32 16.016 3.100 -3.039 1.00 0.00 C ATOM 467 OG1 THR A 32 16.602 3.568 -4.258 1.00 0.00 O ATOM 468 CG2 THR A 32 14.563 3.548 -2.970 1.00 0.00 C ATOM 0 H THR A 32 18.426 2.435 -2.438 1.00 0.00 H new ATOM 0 HA THR A 32 16.730 4.728 -1.831 1.00 0.00 H new ATOM 0 HB THR A 32 16.042 2.011 -3.006 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.092 3.222 -5.020 1.00 0.00 H new ATOM 0 HG21 THR A 32 14.019 3.151 -3.827 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.111 3.177 -2.050 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.517 4.637 -2.984 1.00 0.00 H new ATOM 476 N VAL A 33 16.035 3.959 0.424 1.00 0.00 N ATOM 477 CA VAL A 33 15.530 3.555 1.726 1.00 0.00 C ATOM 478 C VAL A 33 14.124 4.104 1.936 1.00 0.00 C ATOM 479 O VAL A 33 13.951 5.300 2.179 1.00 0.00 O ATOM 480 CB VAL A 33 16.435 4.069 2.870 1.00 0.00 C ATOM 481 CG1 VAL A 33 16.033 3.445 4.199 1.00 0.00 C ATOM 482 CG2 VAL A 33 17.903 3.802 2.569 1.00 0.00 C ATOM 0 H VAL A 33 16.201 4.961 0.329 1.00 0.00 H new ATOM 0 HA VAL A 33 15.519 2.465 1.746 1.00 0.00 H new ATOM 0 HB VAL A 33 16.300 5.148 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 33 16.683 3.821 4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.999 3.705 4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.129 2.361 4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 33 18.516 4.174 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.062 2.730 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.184 4.311 1.647 1.00 0.00 H new ATOM 492 N LEU A 34 13.120 3.246 1.814 1.00 0.00 N ATOM 493 CA LEU A 34 11.751 3.656 2.084 1.00 0.00 C ATOM 494 C LEU A 34 11.530 3.732 3.581 1.00 0.00 C ATOM 495 O LEU A 34 12.043 2.909 4.332 1.00 0.00 O ATOM 496 CB LEU A 34 10.734 2.705 1.456 1.00 0.00 C ATOM 497 CG LEU A 34 10.604 2.798 -0.063 1.00 0.00 C ATOM 498 CD1 LEU A 34 11.609 1.890 -0.757 1.00 0.00 C ATOM 499 CD2 LEU A 34 9.184 2.471 -0.481 1.00 0.00 C ATOM 0 H LEU A 34 13.227 2.271 1.533 1.00 0.00 H new ATOM 0 HA LEU A 34 11.602 4.638 1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.007 1.683 1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.758 2.899 1.900 1.00 0.00 H new ATOM 0 HG LEU A 34 10.828 3.820 -0.370 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.493 1.977 -1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 34 12.620 2.184 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.435 0.857 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 34 9.099 2.539 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.934 1.460 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.496 3.179 -0.018 1.00 0.00 H new ATOM 511 N LYS A 35 10.775 4.722 4.009 1.00 0.00 N ATOM 512 CA LYS A 35 10.602 4.976 5.428 1.00 0.00 C ATOM 513 C LYS A 35 9.189 4.674 5.895 1.00 0.00 C ATOM 514 O LYS A 35 8.246 4.614 5.103 1.00 0.00 O ATOM 515 CB LYS A 35 10.954 6.426 5.753 1.00 0.00 C ATOM 516 CG LYS A 35 12.446 6.714 5.714 1.00 0.00 C ATOM 517 CD LYS A 35 13.160 6.170 6.938 1.00 0.00 C ATOM 518 CE LYS A 35 12.599 6.745 8.231 1.00 0.00 C ATOM 519 NZ LYS A 35 13.335 6.236 9.419 1.00 0.00 N ATOM 0 H LYS A 35 10.271 5.364 3.398 1.00 0.00 H new ATOM 0 HA LYS A 35 11.278 4.306 5.960 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.447 7.082 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.571 6.671 6.744 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.878 6.272 4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.606 7.790 5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.071 5.084 6.956 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.223 6.402 6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.660 7.833 8.203 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.544 6.487 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.749 6.358 10.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.550 5.227 9.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.222 6.767 9.531 1.00 0.00 H new ATOM 533 N ARG A 36 9.069 4.478 7.191 1.00 0.00 N ATOM 534 CA ARG A 36 7.791 4.291 7.846 1.00 0.00 C ATOM 535 C ARG A 36 6.900 5.507 7.630 1.00 0.00 C ATOM 536 O ARG A 36 7.356 6.644 7.736 1.00 0.00 O ATOM 537 CB ARG A 36 8.033 4.077 9.336 1.00 0.00 C ATOM 538 CG ARG A 36 6.784 3.776 10.139 1.00 0.00 C ATOM 539 CD ARG A 36 7.147 3.429 11.567 1.00 0.00 C ATOM 540 NE ARG A 36 5.975 3.167 12.397 1.00 0.00 N ATOM 541 CZ ARG A 36 5.969 2.309 13.414 1.00 0.00 C ATOM 542 NH1 ARG A 36 7.063 1.611 13.697 1.00 0.00 N ATOM 543 NH2 ARG A 36 4.872 2.139 14.139 1.00 0.00 N ATOM 0 H ARG A 36 9.866 4.444 7.827 1.00 0.00 H new ATOM 0 HA ARG A 36 7.287 3.422 7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.738 3.255 9.462 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.507 4.969 9.746 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.118 4.639 10.126 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.241 2.948 9.683 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.793 2.551 11.571 1.00 0.00 H new ATOM 0 HD3 ARG A 36 7.720 4.248 12.002 1.00 0.00 H new ATOM 0 HE ARG A 36 5.113 3.670 12.186 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.906 1.733 13.135 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.061 0.953 14.476 1.00 0.00 H new ATOM 0 HH21 ARG A 36 4.028 2.667 13.918 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.872 1.480 14.918 1.00 0.00 H new ATOM 557 N GLY A 37 5.637 5.265 7.325 1.00 0.00 N ATOM 558 CA GLY A 37 4.710 6.355 7.102 1.00 0.00 C ATOM 559 C GLY A 37 4.519 6.675 5.634 1.00 0.00 C ATOM 560 O GLY A 37 3.635 7.458 5.280 1.00 0.00 O ATOM 0 H GLY A 37 5.235 4.333 7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.746 6.101 7.542 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.071 7.244 7.619 1.00 0.00 H new ATOM 564 N THR A 38 5.348 6.086 4.777 1.00 0.00 N ATOM 565 CA THR A 38 5.213 6.274 3.338 1.00 0.00 C ATOM 566 C THR A 38 3.844 5.794 2.866 1.00 0.00 C ATOM 567 O THR A 38 3.515 4.612 2.975 1.00 0.00 O ATOM 568 CB THR A 38 6.316 5.527 2.561 1.00 0.00 C ATOM 569 OG1 THR A 38 7.606 5.969 3.000 1.00 0.00 O ATOM 570 CG2 THR A 38 6.190 5.759 1.061 1.00 0.00 C ATOM 0 H THR A 38 6.118 5.477 5.054 1.00 0.00 H new ATOM 0 HA THR A 38 5.316 7.341 3.138 1.00 0.00 H new ATOM 0 HB THR A 38 6.200 4.461 2.758 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.980 5.315 3.626 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.982 5.219 0.542 1.00 0.00 H new ATOM 0 HG22 THR A 38 5.220 5.400 0.717 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.278 6.825 0.849 1.00 0.00 H new ATOM 578 N MET A 39 3.044 6.722 2.366 1.00 0.00 N ATOM 579 CA MET A 39 1.699 6.411 1.929 1.00 0.00 C ATOM 580 C MET A 39 1.682 5.948 0.485 1.00 0.00 C ATOM 581 O MET A 39 2.151 6.641 -0.417 1.00 0.00 O ATOM 582 CB MET A 39 0.779 7.620 2.113 1.00 0.00 C ATOM 583 CG MET A 39 -0.383 7.666 1.130 1.00 0.00 C ATOM 584 SD MET A 39 -1.839 8.468 1.813 1.00 0.00 S ATOM 585 CE MET A 39 -2.549 7.112 2.740 1.00 0.00 C ATOM 0 H MET A 39 3.308 7.701 2.254 1.00 0.00 H new ATOM 0 HA MET A 39 1.329 5.594 2.548 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.383 7.612 3.128 1.00 0.00 H new ATOM 0 HB3 MET A 39 1.367 8.531 2.008 1.00 0.00 H new ATOM 0 HG2 MET A 39 -0.071 8.195 0.230 1.00 0.00 H new ATOM 0 HG3 MET A 39 -0.640 6.650 0.830 1.00 0.00 H new ATOM 0 HE1 MET A 39 -3.465 7.445 3.228 1.00 0.00 H new ATOM 0 HE2 MET A 39 -2.777 6.289 2.063 1.00 0.00 H new ATOM 0 HE3 MET A 39 -1.838 6.775 3.494 1.00 0.00 H new ATOM 595 N ILE A 40 1.141 4.763 0.285 1.00 0.00 N ATOM 596 CA ILE A 40 0.927 4.232 -1.046 1.00 0.00 C ATOM 597 C ILE A 40 -0.571 4.098 -1.296 1.00 0.00 C ATOM 598 O ILE A 40 -1.199 3.124 -0.881 1.00 0.00 O ATOM 599 CB ILE A 40 1.610 2.858 -1.232 1.00 0.00 C ATOM 600 CG1 ILE A 40 3.083 2.931 -0.820 1.00 0.00 C ATOM 601 CG2 ILE A 40 1.489 2.396 -2.677 1.00 0.00 C ATOM 602 CD1 ILE A 40 3.815 1.610 -0.933 1.00 0.00 C ATOM 0 H ILE A 40 0.839 4.144 1.037 1.00 0.00 H new ATOM 0 HA ILE A 40 1.371 4.922 -1.763 1.00 0.00 H new ATOM 0 HB ILE A 40 1.106 2.134 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.588 3.670 -1.442 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.146 3.284 0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.975 1.427 -2.791 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.436 2.307 -2.944 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.969 3.122 -3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.852 1.741 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.335 0.872 -0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.785 1.265 -1.966 1.00 0.00 H new ATOM 614 N ARG A 41 -1.152 5.098 -1.937 1.00 0.00 N ATOM 615 CA ARG A 41 -2.586 5.104 -2.179 1.00 0.00 C ATOM 616 C ARG A 41 -2.885 4.845 -3.646 1.00 0.00 C ATOM 617 O ARG A 41 -2.238 5.397 -4.531 1.00 0.00 O ATOM 618 CB ARG A 41 -3.227 6.423 -1.724 1.00 0.00 C ATOM 619 CG ARG A 41 -2.464 7.670 -2.129 1.00 0.00 C ATOM 620 CD ARG A 41 -3.342 8.914 -2.055 1.00 0.00 C ATOM 621 NE ARG A 41 -3.921 9.105 -0.722 1.00 0.00 N ATOM 622 CZ ARG A 41 -4.033 10.288 -0.111 1.00 0.00 C ATOM 623 NH1 ARG A 41 -3.621 11.398 -0.713 1.00 0.00 N ATOM 624 NH2 ARG A 41 -4.568 10.361 1.101 1.00 0.00 N ATOM 0 H ARG A 41 -0.656 5.913 -2.298 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.023 4.299 -1.588 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.236 6.481 -2.133 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.324 6.409 -0.638 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.599 7.795 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.085 7.552 -3.144 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.751 9.790 -2.321 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.144 8.835 -2.789 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.261 8.280 -0.228 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.216 11.351 -1.648 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.710 12.298 -0.240 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.894 9.514 1.566 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.653 11.264 1.567 1.00 0.00 H new ATOM 638 N GLY A 42 -3.866 3.992 -3.889 1.00 0.00 N ATOM 639 CA GLY A 42 -4.208 3.617 -5.240 1.00 0.00 C ATOM 640 C GLY A 42 -3.560 2.308 -5.637 1.00 0.00 C ATOM 641 O GLY A 42 -3.093 2.155 -6.765 1.00 0.00 O ATOM 0 H GLY A 42 -4.435 3.550 -3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.291 3.530 -5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.893 4.402 -5.927 1.00 0.00 H new ATOM 645 N ILE A 43 -3.541 1.364 -4.706 1.00 0.00 N ATOM 646 CA ILE A 43 -2.919 0.073 -4.940 1.00 0.00 C ATOM 647 C ILE A 43 -3.900 -0.864 -5.626 1.00 0.00 C ATOM 648 O ILE A 43 -5.090 -0.575 -5.705 1.00 0.00 O ATOM 649 CB ILE A 43 -2.396 -0.564 -3.621 1.00 0.00 C ATOM 650 CG1 ILE A 43 -3.543 -0.970 -2.681 1.00 0.00 C ATOM 651 CG2 ILE A 43 -1.464 0.405 -2.910 1.00 0.00 C ATOM 652 CD1 ILE A 43 -4.026 -2.398 -2.859 1.00 0.00 C ATOM 0 H ILE A 43 -3.952 1.471 -3.779 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.059 0.233 -5.591 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.852 -1.470 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.216 -0.836 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.383 -0.293 -2.839 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.102 -0.049 -1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.618 0.636 -3.557 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.003 1.323 -2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.835 -2.599 -2.157 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.388 -2.535 -3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.203 -3.087 -2.670 1.00 0.00 H new ATOM 664 N ARG A 44 -3.400 -1.974 -6.121 1.00 0.00 N ATOM 665 CA ARG A 44 -4.218 -2.943 -6.823 1.00 0.00 C ATOM 666 C ARG A 44 -3.751 -4.355 -6.497 1.00 0.00 C ATOM 667 O ARG A 44 -2.613 -4.553 -6.062 1.00 0.00 O ATOM 668 CB ARG A 44 -4.144 -2.679 -8.324 1.00 0.00 C ATOM 669 CG ARG A 44 -2.720 -2.535 -8.831 1.00 0.00 C ATOM 670 CD ARG A 44 -2.677 -1.968 -10.234 1.00 0.00 C ATOM 671 NE ARG A 44 -3.186 -0.598 -10.291 1.00 0.00 N ATOM 672 CZ ARG A 44 -2.435 0.468 -10.563 1.00 0.00 C ATOM 673 NH1 ARG A 44 -1.126 0.348 -10.738 1.00 0.00 N ATOM 674 NH2 ARG A 44 -3.002 1.664 -10.642 1.00 0.00 N ATOM 0 H ARG A 44 -2.416 -2.232 -6.049 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.255 -2.846 -6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.632 -3.496 -8.856 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.700 -1.770 -8.555 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.159 -1.885 -8.159 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.229 -3.508 -8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.651 -1.988 -10.601 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.266 -2.601 -10.898 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.179 -0.449 -10.111 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.684 -0.568 -10.665 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.562 1.172 -10.946 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.006 1.763 -10.495 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.434 2.485 -10.850 1.00 0.00 H new ATOM 688 N LEU A 45 -4.628 -5.328 -6.698 1.00 0.00 N ATOM 689 CA LEU A 45 -4.312 -6.713 -6.381 1.00 0.00 C ATOM 690 C LEU A 45 -3.555 -7.367 -7.529 1.00 0.00 C ATOM 691 O LEU A 45 -3.553 -6.861 -8.653 1.00 0.00 O ATOM 692 CB LEU A 45 -5.589 -7.505 -6.084 1.00 0.00 C ATOM 693 CG LEU A 45 -6.478 -6.931 -4.977 1.00 0.00 C ATOM 694 CD1 LEU A 45 -7.587 -7.909 -4.623 1.00 0.00 C ATOM 695 CD2 LEU A 45 -5.659 -6.572 -3.746 1.00 0.00 C ATOM 0 H LEU A 45 -5.563 -5.184 -7.079 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.680 -6.719 -5.493 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.176 -7.571 -7.000 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.309 -8.522 -5.811 1.00 0.00 H new ATOM 0 HG LEU A 45 -6.934 -6.014 -5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.209 -7.484 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.199 -8.100 -5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.150 -8.845 -4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.317 -6.167 -2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.163 -7.465 -3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.910 -5.826 -4.012 1.00 0.00 H new ATOM 707 N THR A 46 -2.909 -8.485 -7.239 1.00 0.00 N ATOM 708 CA THR A 46 -2.189 -9.235 -8.252 1.00 0.00 C ATOM 709 C THR A 46 -2.654 -10.687 -8.239 1.00 0.00 C ATOM 710 O THR A 46 -3.667 -11.010 -7.619 1.00 0.00 O ATOM 711 CB THR A 46 -0.660 -9.181 -8.019 1.00 0.00 C ATOM 712 OG1 THR A 46 -0.330 -9.730 -6.735 1.00 0.00 O ATOM 713 CG2 THR A 46 -0.136 -7.754 -8.113 1.00 0.00 C ATOM 0 H THR A 46 -2.869 -8.894 -6.305 1.00 0.00 H new ATOM 0 HA THR A 46 -2.400 -8.782 -9.221 1.00 0.00 H new ATOM 0 HB THR A 46 -0.186 -9.775 -8.800 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.456 -9.046 -6.045 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.941 -7.750 -7.945 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.350 -7.352 -9.103 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.623 -7.137 -7.358 1.00 0.00 H new ATOM 721 N ASP A 47 -1.923 -11.557 -8.924 1.00 0.00 N ATOM 722 CA ASP A 47 -2.210 -12.988 -8.880 1.00 0.00 C ATOM 723 C ASP A 47 -1.663 -13.578 -7.586 1.00 0.00 C ATOM 724 O ASP A 47 -1.879 -14.752 -7.276 1.00 0.00 O ATOM 725 CB ASP A 47 -1.600 -13.713 -10.087 1.00 0.00 C ATOM 726 CG ASP A 47 -2.202 -13.274 -11.407 1.00 0.00 C ATOM 727 OD1 ASP A 47 -1.744 -12.251 -11.965 1.00 0.00 O ATOM 728 OD2 ASP A 47 -3.131 -13.948 -11.901 1.00 0.00 O ATOM 0 H ASP A 47 -1.131 -11.301 -9.514 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.291 -13.124 -8.917 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.525 -13.534 -10.107 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.742 -14.787 -9.969 1.00 0.00 H new ATOM 733 N SER A 48 -0.941 -12.746 -6.844 1.00 0.00 N ATOM 734 CA SER A 48 -0.378 -13.120 -5.565 1.00 0.00 C ATOM 735 C SER A 48 -1.286 -12.657 -4.427 1.00 0.00 C ATOM 736 O SER A 48 -1.919 -11.606 -4.521 1.00 0.00 O ATOM 737 CB SER A 48 1.001 -12.484 -5.435 1.00 0.00 C ATOM 738 OG SER A 48 1.865 -12.932 -6.467 1.00 0.00 O ATOM 0 H SER A 48 -0.732 -11.787 -7.121 1.00 0.00 H new ATOM 0 HA SER A 48 -0.291 -14.205 -5.505 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.911 -11.399 -5.477 1.00 0.00 H new ATOM 0 HB3 SER A 48 1.430 -12.731 -4.464 1.00 0.00 H new ATOM 0 HG SER A 48 2.743 -12.510 -6.365 1.00 0.00 H new ATOM 744 N GLU A 49 -1.341 -13.437 -3.356 1.00 0.00 N ATOM 745 CA GLU A 49 -2.207 -13.120 -2.222 1.00 0.00 C ATOM 746 C GLU A 49 -1.473 -12.247 -1.215 1.00 0.00 C ATOM 747 O GLU A 49 -2.087 -11.537 -0.421 1.00 0.00 O ATOM 748 CB GLU A 49 -2.655 -14.390 -1.508 1.00 0.00 C ATOM 749 CG GLU A 49 -3.153 -15.484 -2.428 1.00 0.00 C ATOM 750 CD GLU A 49 -3.550 -16.724 -1.660 1.00 0.00 C ATOM 751 OE1 GLU A 49 -4.644 -16.736 -1.066 1.00 0.00 O ATOM 752 OE2 GLU A 49 -2.751 -17.684 -1.621 1.00 0.00 O ATOM 0 H GLU A 49 -0.798 -14.293 -3.246 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.075 -12.591 -2.616 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.821 -14.776 -0.923 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.447 -14.136 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.008 -15.119 -2.997 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.375 -15.736 -3.148 1.00 0.00 H new ATOM 759 N ASP A 50 -0.156 -12.329 -1.235 1.00 0.00 N ATOM 760 CA ASP A 50 0.666 -11.627 -0.263 1.00 0.00 C ATOM 761 C ASP A 50 1.351 -10.425 -0.896 1.00 0.00 C ATOM 762 O ASP A 50 2.034 -9.657 -0.218 1.00 0.00 O ATOM 763 CB ASP A 50 1.715 -12.575 0.327 1.00 0.00 C ATOM 764 CG ASP A 50 1.107 -13.670 1.179 1.00 0.00 C ATOM 765 OD1 ASP A 50 0.815 -13.411 2.369 1.00 0.00 O ATOM 766 OD2 ASP A 50 0.932 -14.801 0.668 1.00 0.00 O ATOM 0 H ASP A 50 0.371 -12.876 -1.916 1.00 0.00 H new ATOM 0 HA ASP A 50 0.016 -11.271 0.536 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.286 -13.027 -0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.418 -12.001 0.930 1.00 0.00 H new ATOM 771 N GLU A 51 1.155 -10.258 -2.194 1.00 0.00 N ATOM 772 CA GLU A 51 1.788 -9.171 -2.925 1.00 0.00 C ATOM 773 C GLU A 51 0.746 -8.301 -3.610 1.00 0.00 C ATOM 774 O GLU A 51 -0.294 -8.784 -4.058 1.00 0.00 O ATOM 775 CB GLU A 51 2.767 -9.693 -3.984 1.00 0.00 C ATOM 776 CG GLU A 51 4.068 -10.269 -3.434 1.00 0.00 C ATOM 777 CD GLU A 51 3.883 -11.540 -2.630 1.00 0.00 C ATOM 778 OE1 GLU A 51 3.236 -12.484 -3.133 1.00 0.00 O ATOM 779 OE2 GLU A 51 4.386 -11.602 -1.491 1.00 0.00 O ATOM 0 H GLU A 51 0.562 -10.862 -2.764 1.00 0.00 H new ATOM 0 HA GLU A 51 2.340 -8.581 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.266 -10.463 -4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.008 -8.878 -4.667 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.745 -10.471 -4.264 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.549 -9.520 -2.806 1.00 0.00 H new ATOM 786 N ILE A 52 1.039 -7.020 -3.688 1.00 0.00 N ATOM 787 CA ILE A 52 0.190 -6.073 -4.391 1.00 0.00 C ATOM 788 C ILE A 52 1.038 -5.182 -5.276 1.00 0.00 C ATOM 789 O ILE A 52 2.260 -5.291 -5.294 1.00 0.00 O ATOM 790 CB ILE A 52 -0.613 -5.162 -3.438 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.332 -4.369 -2.535 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.597 -5.974 -2.614 1.00 0.00 C ATOM 793 CD1 ILE A 52 -0.320 -3.169 -1.895 1.00 0.00 C ATOM 0 H ILE A 52 1.870 -6.603 -3.268 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.514 -6.667 -4.974 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.185 -4.455 -4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.713 -5.026 -1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.190 -4.038 -3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.151 -5.310 -1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.293 -6.486 -3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.054 -6.710 -2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.406 -2.652 -1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.677 -2.492 -2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.161 -3.495 -1.283 1.00 0.00 H new ATOM 805 N GLU A 53 0.387 -4.303 -5.996 1.00 0.00 N ATOM 806 CA GLU A 53 1.068 -3.327 -6.811 1.00 0.00 C ATOM 807 C GLU A 53 0.445 -1.967 -6.541 1.00 0.00 C ATOM 808 O GLU A 53 -0.771 -1.829 -6.590 1.00 0.00 O ATOM 809 CB GLU A 53 0.931 -3.734 -8.275 1.00 0.00 C ATOM 810 CG GLU A 53 1.793 -2.943 -9.247 1.00 0.00 C ATOM 811 CD GLU A 53 1.065 -1.764 -9.855 1.00 0.00 C ATOM 812 OE1 GLU A 53 1.117 -0.667 -9.279 1.00 0.00 O ATOM 813 OE2 GLU A 53 0.447 -1.931 -10.929 1.00 0.00 O ATOM 0 H GLU A 53 -0.631 -4.243 -6.034 1.00 0.00 H new ATOM 0 HA GLU A 53 2.131 -3.274 -6.574 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.182 -4.791 -8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.113 -3.628 -8.570 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.683 -2.586 -8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.133 -3.604 -10.044 1.00 0.00 H new ATOM 820 N GLY A 54 1.257 -0.979 -6.222 1.00 0.00 N ATOM 821 CA GLY A 54 0.709 0.302 -5.836 1.00 0.00 C ATOM 822 C GLY A 54 1.464 1.469 -6.422 1.00 0.00 C ATOM 823 O GLY A 54 2.461 1.290 -7.118 1.00 0.00 O ATOM 0 H GLY A 54 2.275 -1.036 -6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.333 0.355 -6.152 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.716 0.381 -4.749 1.00 0.00 H new ATOM 827 N ARG A 55 0.997 2.671 -6.132 1.00 0.00 N ATOM 828 CA ARG A 55 1.639 3.866 -6.632 1.00 0.00 C ATOM 829 C ARG A 55 1.743 4.922 -5.541 1.00 0.00 C ATOM 830 O ARG A 55 0.844 5.081 -4.714 1.00 0.00 O ATOM 831 CB ARG A 55 0.888 4.412 -7.846 1.00 0.00 C ATOM 832 CG ARG A 55 -0.539 4.835 -7.564 1.00 0.00 C ATOM 833 CD ARG A 55 -1.224 5.286 -8.844 1.00 0.00 C ATOM 834 NE ARG A 55 -2.626 5.645 -8.640 1.00 0.00 N ATOM 835 CZ ARG A 55 -3.081 6.898 -8.664 1.00 0.00 C ATOM 836 NH1 ARG A 55 -2.235 7.918 -8.769 1.00 0.00 N ATOM 837 NH2 ARG A 55 -4.381 7.132 -8.559 1.00 0.00 N ATOM 0 H ARG A 55 0.175 2.841 -5.552 1.00 0.00 H new ATOM 0 HA ARG A 55 2.650 3.604 -6.945 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.436 5.267 -8.242 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.880 3.650 -8.626 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -1.090 4.005 -7.123 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.547 5.646 -6.835 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.690 6.143 -9.254 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.162 4.488 -9.584 1.00 0.00 H new ATOM 0 HE ARG A 55 -3.295 4.894 -8.469 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.232 7.744 -8.832 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.589 8.874 -8.787 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.033 6.354 -8.460 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.730 8.090 -8.577 1.00 0.00 H new ATOM 851 N THR A 56 2.864 5.608 -5.538 1.00 0.00 N ATOM 852 CA THR A 56 3.116 6.696 -4.612 1.00 0.00 C ATOM 853 C THR A 56 3.052 8.013 -5.379 1.00 0.00 C ATOM 854 O THR A 56 2.641 8.036 -6.545 1.00 0.00 O ATOM 855 CB THR A 56 4.507 6.563 -3.944 1.00 0.00 C ATOM 856 OG1 THR A 56 5.531 6.817 -4.904 1.00 0.00 O ATOM 857 CG2 THR A 56 4.725 5.172 -3.370 1.00 0.00 C ATOM 0 H THR A 56 3.634 5.427 -6.182 1.00 0.00 H new ATOM 0 HA THR A 56 2.361 6.666 -3.827 1.00 0.00 H new ATOM 0 HB THR A 56 4.548 7.290 -3.133 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.491 6.141 -5.612 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.712 5.119 -2.910 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.963 4.965 -2.619 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.657 4.434 -4.169 1.00 0.00 H new ATOM 865 N ASP A 57 3.453 9.103 -4.741 1.00 0.00 N ATOM 866 CA ASP A 57 3.532 10.394 -5.414 1.00 0.00 C ATOM 867 C ASP A 57 4.762 10.438 -6.315 1.00 0.00 C ATOM 868 O ASP A 57 4.871 11.283 -7.203 1.00 0.00 O ATOM 869 CB ASP A 57 3.597 11.534 -4.395 1.00 0.00 C ATOM 870 CG ASP A 57 4.917 11.588 -3.651 1.00 0.00 C ATOM 871 OD1 ASP A 57 5.259 10.614 -2.957 1.00 0.00 O ATOM 872 OD2 ASP A 57 5.619 12.620 -3.747 1.00 0.00 O ATOM 0 H ASP A 57 3.729 9.121 -3.759 1.00 0.00 H new ATOM 0 HA ASP A 57 2.635 10.520 -6.020 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.436 12.482 -4.908 1.00 0.00 H new ATOM 0 HB3 ASP A 57 2.786 11.419 -3.676 1.00 0.00 H new ATOM 877 N LYS A 58 5.679 9.510 -6.074 1.00 0.00 N ATOM 878 CA LYS A 58 6.927 9.433 -6.821 1.00 0.00 C ATOM 879 C LYS A 58 6.987 8.146 -7.643 1.00 0.00 C ATOM 880 O LYS A 58 6.824 8.168 -8.864 1.00 0.00 O ATOM 881 CB LYS A 58 8.104 9.503 -5.846 1.00 0.00 C ATOM 882 CG LYS A 58 8.087 10.756 -4.985 1.00 0.00 C ATOM 883 CD LYS A 58 9.156 10.725 -3.907 1.00 0.00 C ATOM 884 CE LYS A 58 9.048 11.931 -2.984 1.00 0.00 C ATOM 885 NZ LYS A 58 7.789 11.923 -2.188 1.00 0.00 N ATOM 0 H LYS A 58 5.579 8.791 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 58 6.982 10.273 -7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.087 8.625 -5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.037 9.467 -6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.236 11.631 -5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.107 10.862 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.061 9.809 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.142 10.707 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.903 11.946 -2.308 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.095 12.845 -3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.960 12.368 -1.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.053 12.453 -2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.474 10.942 -2.047 1.00 0.00 H new ATOM 899 N ILE A 59 7.211 7.027 -6.963 1.00 0.00 N ATOM 900 CA ILE A 59 7.228 5.716 -7.608 1.00 0.00 C ATOM 901 C ILE A 59 5.804 5.250 -7.841 1.00 0.00 C ATOM 902 O ILE A 59 5.104 4.914 -6.888 1.00 0.00 O ATOM 903 CB ILE A 59 7.929 4.623 -6.761 1.00 0.00 C ATOM 904 CG1 ILE A 59 9.104 5.187 -5.954 1.00 0.00 C ATOM 905 CG2 ILE A 59 8.398 3.490 -7.663 1.00 0.00 C ATOM 906 CD1 ILE A 59 8.744 5.600 -4.538 1.00 0.00 C ATOM 0 H ILE A 59 7.385 7.001 -5.958 1.00 0.00 H new ATOM 0 HA ILE A 59 7.783 5.844 -8.537 1.00 0.00 H new ATOM 0 HB ILE A 59 7.202 4.239 -6.045 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.895 4.438 -5.912 1.00 0.00 H new ATOM 0 HG13 ILE A 59 9.511 6.051 -6.480 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.890 2.726 -7.061 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.540 3.053 -8.174 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.100 3.879 -8.400 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.630 5.988 -4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.976 6.373 -4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 59 8.366 4.736 -3.992 1.00 0.00 H new ATOM 918 N LYS A 60 5.363 5.231 -9.082 1.00 0.00 N ATOM 919 CA LYS A 60 4.014 4.789 -9.373 1.00 0.00 C ATOM 920 C LYS A 60 4.038 3.482 -10.155 1.00 0.00 C ATOM 921 O LYS A 60 4.657 3.387 -11.213 1.00 0.00 O ATOM 922 CB LYS A 60 3.233 5.874 -10.126 1.00 0.00 C ATOM 923 CG LYS A 60 3.801 6.219 -11.490 1.00 0.00 C ATOM 924 CD LYS A 60 3.012 7.334 -12.156 1.00 0.00 C ATOM 925 CE LYS A 60 3.138 8.645 -11.393 1.00 0.00 C ATOM 926 NZ LYS A 60 2.380 9.741 -12.044 1.00 0.00 N ATOM 0 H LYS A 60 5.910 5.512 -9.896 1.00 0.00 H new ATOM 0 HA LYS A 60 3.500 4.608 -8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.201 5.544 -10.248 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.209 6.777 -9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.843 6.521 -11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.788 5.333 -12.125 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.367 7.472 -13.177 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.962 7.049 -12.219 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.775 8.508 -10.374 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.189 8.924 -11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.492 10.616 -11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.743 9.890 -13.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.372 9.487 -12.089 1.00 0.00 H new ATOM 940 N GLY A 61 3.394 2.466 -9.602 1.00 0.00 N ATOM 941 CA GLY A 61 3.319 1.189 -10.271 1.00 0.00 C ATOM 942 C GLY A 61 4.431 0.252 -9.859 1.00 0.00 C ATOM 943 O GLY A 61 5.121 -0.310 -10.709 1.00 0.00 O ATOM 0 H GLY A 61 2.921 2.505 -8.699 1.00 0.00 H new ATOM 0 HA2 GLY A 61 2.357 0.724 -10.053 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.360 1.345 -11.349 1.00 0.00 H new ATOM 947 N LEU A 62 4.609 0.078 -8.557 1.00 0.00 N ATOM 948 CA LEU A 62 5.621 -0.828 -8.051 1.00 0.00 C ATOM 949 C LEU A 62 4.957 -1.984 -7.307 1.00 0.00 C ATOM 950 O LEU A 62 4.023 -1.781 -6.525 1.00 0.00 O ATOM 951 CB LEU A 62 6.636 -0.095 -7.146 1.00 0.00 C ATOM 952 CG LEU A 62 6.205 0.184 -5.703 1.00 0.00 C ATOM 953 CD1 LEU A 62 7.407 0.603 -4.873 1.00 0.00 C ATOM 954 CD2 LEU A 62 5.142 1.270 -5.646 1.00 0.00 C ATOM 0 H LEU A 62 4.065 0.553 -7.836 1.00 0.00 H new ATOM 0 HA LEU A 62 6.178 -1.228 -8.898 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.552 -0.684 -7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.883 0.857 -7.616 1.00 0.00 H new ATOM 0 HG LEU A 62 5.781 -0.734 -5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.091 0.799 -3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.148 -0.196 -4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.845 1.507 -5.297 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.856 1.446 -4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.539 2.191 -6.074 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.268 0.953 -6.214 1.00 0.00 H new ATOM 966 N VAL A 63 5.422 -3.196 -7.572 1.00 0.00 N ATOM 967 CA VAL A 63 4.845 -4.385 -6.958 1.00 0.00 C ATOM 968 C VAL A 63 5.558 -4.699 -5.655 1.00 0.00 C ATOM 969 O VAL A 63 6.768 -4.944 -5.637 1.00 0.00 O ATOM 970 CB VAL A 63 4.920 -5.620 -7.888 1.00 0.00 C ATOM 971 CG1 VAL A 63 4.234 -6.822 -7.248 1.00 0.00 C ATOM 972 CG2 VAL A 63 4.297 -5.312 -9.240 1.00 0.00 C ATOM 0 H VAL A 63 6.197 -3.383 -8.208 1.00 0.00 H new ATOM 0 HA VAL A 63 3.794 -4.168 -6.769 1.00 0.00 H new ATOM 0 HB VAL A 63 5.971 -5.866 -8.040 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.299 -7.678 -7.919 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.725 -7.062 -6.305 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.186 -6.586 -7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.360 -6.193 -9.879 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.251 -5.036 -9.104 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.833 -4.486 -9.708 1.00 0.00 H new ATOM 982 N LEU A 64 4.806 -4.693 -4.571 1.00 0.00 N ATOM 983 CA LEU A 64 5.367 -4.927 -3.251 1.00 0.00 C ATOM 984 C LEU A 64 4.545 -5.923 -2.464 1.00 0.00 C ATOM 985 O LEU A 64 3.319 -5.950 -2.557 1.00 0.00 O ATOM 986 CB LEU A 64 5.468 -3.619 -2.462 1.00 0.00 C ATOM 987 CG LEU A 64 6.697 -2.777 -2.778 1.00 0.00 C ATOM 988 CD1 LEU A 64 6.582 -1.401 -2.147 1.00 0.00 C ATOM 989 CD2 LEU A 64 7.948 -3.490 -2.284 1.00 0.00 C ATOM 0 H LEU A 64 3.799 -4.528 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 64 6.365 -5.339 -3.398 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.576 -3.023 -2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.468 -3.852 -1.397 1.00 0.00 H new ATOM 0 HG LEU A 64 6.766 -2.646 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.470 -0.816 -2.385 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.699 -0.895 -2.537 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.494 -1.503 -1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.826 -2.885 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.880 -3.640 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.035 -4.457 -2.780 1.00 0.00 H new ATOM 1001 N ARG A 65 5.234 -6.750 -1.701 1.00 0.00 N ATOM 1002 CA ARG A 65 4.582 -7.626 -0.753 1.00 0.00 C ATOM 1003 C ARG A 65 3.891 -6.800 0.317 1.00 0.00 C ATOM 1004 O ARG A 65 4.484 -5.892 0.903 1.00 0.00 O ATOM 1005 CB ARG A 65 5.595 -8.563 -0.113 1.00 0.00 C ATOM 1006 CG ARG A 65 6.889 -7.873 0.260 1.00 0.00 C ATOM 1007 CD ARG A 65 7.722 -8.722 1.197 1.00 0.00 C ATOM 1008 NE ARG A 65 8.948 -8.044 1.601 1.00 0.00 N ATOM 1009 CZ ARG A 65 9.619 -8.322 2.716 1.00 0.00 C ATOM 1010 NH1 ARG A 65 9.175 -9.258 3.549 1.00 0.00 N ATOM 1011 NH2 ARG A 65 10.725 -7.647 3.004 1.00 0.00 N ATOM 0 H ARG A 65 6.251 -6.832 -1.721 1.00 0.00 H new ATOM 0 HA ARG A 65 3.840 -8.225 -1.280 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.156 -9.007 0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.811 -9.380 -0.802 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.461 -7.658 -0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.669 -6.916 0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.135 -8.968 2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.972 -9.663 0.708 1.00 0.00 H new ATOM 0 HE ARG A 65 9.314 -7.312 0.992 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.317 -9.766 3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.692 -9.468 4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.057 -6.919 2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.243 -7.857 3.858 1.00 0.00 H new ATOM 1025 N THR A 66 2.649 -7.126 0.582 1.00 0.00 N ATOM 1026 CA THR A 66 1.835 -6.348 1.493 1.00 0.00 C ATOM 1027 C THR A 66 2.004 -6.839 2.936 1.00 0.00 C ATOM 1028 O THR A 66 1.120 -6.665 3.777 1.00 0.00 O ATOM 1029 CB THR A 66 0.351 -6.402 1.060 1.00 0.00 C ATOM 1030 OG1 THR A 66 -0.453 -5.557 1.892 1.00 0.00 O ATOM 1031 CG2 THR A 66 -0.181 -7.824 1.105 1.00 0.00 C ATOM 0 H THR A 66 2.174 -7.932 0.177 1.00 0.00 H new ATOM 0 HA THR A 66 2.169 -5.311 1.456 1.00 0.00 H new ATOM 0 HB THR A 66 0.296 -6.042 0.032 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.087 -5.549 2.801 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.226 -7.831 0.796 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.401 -8.452 0.431 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.101 -8.211 2.121 1.00 0.00 H new ATOM 1039 N GLU A 67 3.172 -7.407 3.240 1.00 0.00 N ATOM 1040 CA GLU A 67 3.421 -7.945 4.572 1.00 0.00 C ATOM 1041 C GLU A 67 3.775 -6.813 5.508 1.00 0.00 C ATOM 1042 O GLU A 67 3.557 -6.878 6.716 1.00 0.00 O ATOM 1043 CB GLU A 67 4.575 -8.942 4.548 1.00 0.00 C ATOM 1044 CG GLU A 67 4.586 -9.836 3.331 1.00 0.00 C ATOM 1045 CD GLU A 67 5.614 -10.941 3.443 1.00 0.00 C ATOM 1046 OE1 GLU A 67 6.805 -10.627 3.677 1.00 0.00 O ATOM 1047 OE2 GLU A 67 5.242 -12.121 3.300 1.00 0.00 O ATOM 0 H GLU A 67 3.950 -7.504 2.588 1.00 0.00 H new ATOM 0 HA GLU A 67 2.520 -8.455 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 67 5.516 -8.394 4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.524 -9.563 5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.597 -10.274 3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.794 -9.237 2.444 1.00 0.00 H new ATOM 1054 N PHE A 68 4.333 -5.777 4.921 1.00 0.00 N ATOM 1055 CA PHE A 68 4.801 -4.633 5.673 1.00 0.00 C ATOM 1056 C PHE A 68 3.980 -3.396 5.340 1.00 0.00 C ATOM 1057 O PHE A 68 4.385 -2.267 5.628 1.00 0.00 O ATOM 1058 CB PHE A 68 6.293 -4.408 5.394 1.00 0.00 C ATOM 1059 CG PHE A 68 6.643 -4.173 3.949 1.00 0.00 C ATOM 1060 CD1 PHE A 68 6.455 -2.934 3.361 1.00 0.00 C ATOM 1061 CD2 PHE A 68 7.180 -5.195 3.187 1.00 0.00 C ATOM 1062 CE1 PHE A 68 6.790 -2.721 2.038 1.00 0.00 C ATOM 1063 CE2 PHE A 68 7.518 -4.988 1.864 1.00 0.00 C ATOM 1064 CZ PHE A 68 7.323 -3.748 1.289 1.00 0.00 C ATOM 0 H PHE A 68 4.475 -5.704 3.914 1.00 0.00 H new ATOM 0 HA PHE A 68 4.675 -4.828 6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.631 -3.552 5.978 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.848 -5.276 5.750 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.041 -2.124 3.944 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.337 -6.166 3.632 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.634 -1.750 1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.934 -5.795 1.280 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.587 -3.583 0.255 1.00 0.00 H new ATOM 1074 N LEU A 69 2.808 -3.610 4.758 1.00 0.00 N ATOM 1075 CA LEU A 69 1.953 -2.505 4.387 1.00 0.00 C ATOM 1076 C LEU A 69 0.704 -2.506 5.235 1.00 0.00 C ATOM 1077 O LEU A 69 0.150 -3.556 5.559 1.00 0.00 O ATOM 1078 CB LEU A 69 1.584 -2.566 2.906 1.00 0.00 C ATOM 1079 CG LEU A 69 2.766 -2.568 1.933 1.00 0.00 C ATOM 1080 CD1 LEU A 69 2.287 -2.803 0.511 1.00 0.00 C ATOM 1081 CD2 LEU A 69 3.526 -1.255 2.020 1.00 0.00 C ATOM 0 H LEU A 69 2.435 -4.533 4.536 1.00 0.00 H new ATOM 0 HA LEU A 69 2.502 -1.579 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.992 -3.465 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.945 -1.714 2.673 1.00 0.00 H new ATOM 0 HG LEU A 69 3.437 -3.380 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.141 -2.801 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.780 -3.766 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.595 -2.011 0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.363 -1.272 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.859 -0.431 1.766 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.902 -1.119 3.034 1.00 0.00 H new ATOM 1093 N LYS A 70 0.286 -1.319 5.593 1.00 0.00 N ATOM 1094 CA LYS A 70 -0.860 -1.129 6.446 1.00 0.00 C ATOM 1095 C LYS A 70 -1.990 -0.511 5.645 1.00 0.00 C ATOM 1096 O LYS A 70 -1.821 0.562 5.070 1.00 0.00 O ATOM 1097 CB LYS A 70 -0.491 -0.201 7.600 1.00 0.00 C ATOM 1098 CG LYS A 70 -1.099 -0.592 8.932 1.00 0.00 C ATOM 1099 CD LYS A 70 -2.605 -0.756 8.840 1.00 0.00 C ATOM 1100 CE LYS A 70 -3.282 -0.422 10.155 1.00 0.00 C ATOM 1101 NZ LYS A 70 -4.757 -0.560 10.066 1.00 0.00 N ATOM 0 H LYS A 70 0.734 -0.451 5.299 1.00 0.00 H new ATOM 0 HA LYS A 70 -1.178 -2.093 6.843 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.594 -0.180 7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.808 0.812 7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.652 -1.525 9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.861 0.168 9.677 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.995 -0.109 8.054 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.844 -1.781 8.557 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.902 -1.080 10.937 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.029 0.598 10.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.210 0.155 10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.060 -0.423 9.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.037 -1.509 10.385 1.00 0.00 H new ATOM 1115 N LYS A 71 -3.129 -1.186 5.601 1.00 0.00 N ATOM 1116 CA LYS A 71 -4.299 -0.643 4.934 1.00 0.00 C ATOM 1117 C LYS A 71 -4.675 0.682 5.585 1.00 0.00 C ATOM 1118 O LYS A 71 -4.929 0.737 6.794 1.00 0.00 O ATOM 1119 CB LYS A 71 -5.476 -1.614 5.023 1.00 0.00 C ATOM 1120 CG LYS A 71 -6.677 -1.187 4.195 1.00 0.00 C ATOM 1121 CD LYS A 71 -7.927 -1.945 4.608 1.00 0.00 C ATOM 1122 CE LYS A 71 -9.134 -1.555 3.771 1.00 0.00 C ATOM 1123 NZ LYS A 71 -8.989 -1.981 2.357 1.00 0.00 N ATOM 0 H LYS A 71 -3.266 -2.107 6.018 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.064 -0.488 3.881 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.149 -2.600 4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.779 -1.711 6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.842 -0.116 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.475 -1.363 3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.750 -3.016 4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.137 -1.751 5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.031 -2.006 4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.270 -0.474 3.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.784 -1.609 1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.095 -1.614 1.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.987 -3.020 2.306 1.00 0.00 H new ATOM 1137 N ALA A 72 -4.694 1.744 4.791 1.00 0.00 N ATOM 1138 CA ALA A 72 -4.952 3.080 5.311 1.00 0.00 C ATOM 1139 C ALA A 72 -6.443 3.285 5.576 1.00 0.00 C ATOM 1140 O ALA A 72 -7.120 4.053 4.889 1.00 0.00 O ATOM 1141 CB ALA A 72 -4.411 4.141 4.361 1.00 0.00 C ATOM 0 H ALA A 72 -4.534 1.706 3.784 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.429 3.182 6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.614 5.132 4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.335 4.010 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.896 4.041 3.390 1.00 0.00 H new ATOM 1147 N GLY A 73 -6.945 2.560 6.565 1.00 0.00 N ATOM 1148 CA GLY A 73 -8.330 2.666 6.960 1.00 0.00 C ATOM 1149 C GLY A 73 -8.504 2.341 8.426 1.00 0.00 C ATOM 1150 O GLY A 73 -8.051 1.292 8.892 1.00 0.00 O ATOM 0 H GLY A 73 -6.403 1.888 7.109 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.691 3.675 6.763 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.936 1.987 6.359 1.00 0.00 H new ATOM 1154 N SER A 74 -9.135 3.242 9.156 1.00 0.00 N ATOM 1155 CA SER A 74 -9.337 3.060 10.580 1.00 0.00 C ATOM 1156 C SER A 74 -10.658 3.700 10.986 1.00 0.00 C ATOM 1157 O SER A 74 -10.685 4.933 11.204 1.00 0.00 O ATOM 1158 CB SER A 74 -8.165 3.673 11.359 1.00 0.00 C ATOM 1159 OG SER A 74 -8.186 3.290 12.726 1.00 0.00 O ATOM 1160 OXT SER A 74 -11.672 2.973 11.052 1.00 0.00 O ATOM 0 H SER A 74 -9.518 4.111 8.783 1.00 0.00 H new ATOM 0 HA SER A 74 -9.377 1.996 10.814 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.224 3.359 10.907 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.207 4.760 11.285 1.00 0.00 H new ATOM 0 HG SER A 74 -7.425 3.697 13.191 1.00 0.00 H new TER 1166 SER A 74