USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 724 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 46 THR OG1 : rot -80:sc= 2.36 USER MOD Set 1.2: A 48 THR OG1 : rot -85:sc= 1.23 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 30:sc= 0.211 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.943 K(o=-0.94,f=-2.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -108:sc= -0.619 (180deg=-2.5!) USER MOD Single : A 27 HIS : no HE2:sc= -8.58! C(o=-8.6!,f=-11!) USER MOD Single : A 28 HIS : no HD1:sc= -1.96 K(o=-2,f=-7.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -2.81! C(o=-2.8!,f=-4.5!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 45 LYS NZ :NH3+ 165:sc= -0.0128 (180deg=-0.193) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 59 SER OG : rot 99:sc= 0.0827 USER MOD Single : A 60 ASN : amide:sc= 0.859 K(o=0.86,f=-3.2!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.855 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0405 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -166:sc=-0.00231 (180deg=-0.108) USER MOD Single : A 76 HIS : no HD1:sc= -0.187 X(o=-0.19,f=-0.024) USER MOD Single : A 82 SER OG : rot -16:sc= -0.101 USER MOD Single : A 85 GLN : amide:sc= -0.338 K(o=-0.34,f=-1.3) USER MOD Single : A 87 LYS NZ :NH3+ -163:sc= -1.5 (180deg=-2.24) USER MOD Single : A 89 SER OG : rot 21:sc= 0.924 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.952 -29.887 22.968 1.00 0.00 N ATOM 2 CA GLY A 1 -2.847 -28.445 23.091 1.00 0.00 C ATOM 3 C GLY A 1 -2.618 -27.765 21.755 1.00 0.00 C ATOM 4 O GLY A 1 -3.405 -26.915 21.341 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.108 -30.305 23.907 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.751 -30.125 22.346 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.073 -30.266 22.562 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.759 -28.054 23.543 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.027 -28.200 23.766 1.00 0.00 H new ATOM 8 N SER A 2 -1.537 -28.140 21.080 1.00 0.00 N ATOM 9 CA SER A 2 -1.203 -27.557 19.785 1.00 0.00 C ATOM 10 C SER A 2 -1.606 -26.086 19.733 1.00 0.00 C ATOM 11 O SER A 2 -2.273 -25.647 18.797 1.00 0.00 O ATOM 12 CB SER A 2 -1.896 -28.328 18.661 1.00 0.00 C ATOM 13 OG SER A 2 -1.086 -29.395 18.199 1.00 0.00 O ATOM 0 H SER A 2 -0.877 -28.845 21.408 1.00 0.00 H new ATOM 0 HA SER A 2 -0.124 -27.626 19.650 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.849 -28.719 19.018 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.118 -27.652 17.835 1.00 0.00 H new ATOM 0 HG SER A 2 -1.552 -29.873 17.482 1.00 0.00 H new ATOM 19 N SER A 3 -1.194 -25.330 20.746 1.00 0.00 N ATOM 20 CA SER A 3 -1.515 -23.909 20.818 1.00 0.00 C ATOM 21 C SER A 3 -0.358 -23.064 20.292 1.00 0.00 C ATOM 22 O SER A 3 0.752 -23.115 20.819 1.00 0.00 O ATOM 23 CB SER A 3 -1.839 -23.511 22.259 1.00 0.00 C ATOM 24 OG SER A 3 -3.017 -24.153 22.712 1.00 0.00 O ATOM 0 H SER A 3 -0.638 -25.677 21.527 1.00 0.00 H new ATOM 0 HA SER A 3 -2.389 -23.726 20.193 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.005 -23.775 22.909 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.963 -22.430 22.322 1.00 0.00 H new ATOM 0 HG SER A 3 -3.112 -25.018 22.261 1.00 0.00 H new ATOM 30 N GLY A 4 -0.628 -22.287 19.248 1.00 0.00 N ATOM 31 CA GLY A 4 0.399 -21.442 18.667 1.00 0.00 C ATOM 32 C GLY A 4 1.564 -22.239 18.118 1.00 0.00 C ATOM 33 O GLY A 4 1.445 -23.441 17.880 1.00 0.00 O ATOM 0 H GLY A 4 -1.539 -22.227 18.794 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.037 -20.844 17.867 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.763 -20.746 19.423 1.00 0.00 H new ATOM 37 N SER A 5 2.694 -21.570 17.915 1.00 0.00 N ATOM 38 CA SER A 5 3.886 -22.223 17.384 1.00 0.00 C ATOM 39 C SER A 5 5.152 -21.558 17.915 1.00 0.00 C ATOM 40 O SER A 5 5.097 -20.488 18.522 1.00 0.00 O ATOM 41 CB SER A 5 3.877 -22.183 15.856 1.00 0.00 C ATOM 42 OG SER A 5 3.965 -20.851 15.380 1.00 0.00 O ATOM 0 H SER A 5 2.810 -20.576 18.110 1.00 0.00 H new ATOM 0 HA SER A 5 3.878 -23.262 17.713 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.712 -22.767 15.469 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.964 -22.646 15.482 1.00 0.00 H new ATOM 0 HG SER A 5 3.959 -20.853 14.400 1.00 0.00 H new ATOM 48 N SER A 6 6.292 -22.199 17.681 1.00 0.00 N ATOM 49 CA SER A 6 7.573 -21.673 18.138 1.00 0.00 C ATOM 50 C SER A 6 8.691 -22.052 17.173 1.00 0.00 C ATOM 51 O SER A 6 8.717 -23.160 16.639 1.00 0.00 O ATOM 52 CB SER A 6 7.893 -22.197 19.540 1.00 0.00 C ATOM 53 OG SER A 6 7.838 -23.614 19.579 1.00 0.00 O ATOM 0 H SER A 6 6.355 -23.084 17.177 1.00 0.00 H new ATOM 0 HA SER A 6 7.500 -20.586 18.173 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.885 -21.860 19.840 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.185 -21.782 20.257 1.00 0.00 H new ATOM 0 HG SER A 6 8.048 -23.925 20.484 1.00 0.00 H new ATOM 59 N GLY A 7 9.617 -21.123 16.955 1.00 0.00 N ATOM 60 CA GLY A 7 10.726 -21.378 16.054 1.00 0.00 C ATOM 61 C GLY A 7 10.928 -20.257 15.053 1.00 0.00 C ATOM 62 O GLY A 7 10.165 -20.125 14.096 1.00 0.00 O ATOM 0 H GLY A 7 9.619 -20.199 17.386 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.639 -21.512 16.635 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.549 -22.311 15.519 1.00 0.00 H new ATOM 66 N ASP A 8 11.959 -19.448 15.273 1.00 0.00 N ATOM 67 CA ASP A 8 12.260 -18.333 14.382 1.00 0.00 C ATOM 68 C ASP A 8 13.317 -18.728 13.355 1.00 0.00 C ATOM 69 O ASP A 8 14.295 -19.399 13.683 1.00 0.00 O ATOM 70 CB ASP A 8 12.739 -17.125 15.187 1.00 0.00 C ATOM 71 CG ASP A 8 11.682 -16.610 16.144 1.00 0.00 C ATOM 72 OD1 ASP A 8 11.112 -17.429 16.895 1.00 0.00 O ATOM 73 OD2 ASP A 8 11.425 -15.388 16.143 1.00 0.00 O ATOM 0 H ASP A 8 12.600 -19.543 16.060 1.00 0.00 H new ATOM 0 HA ASP A 8 11.346 -18.067 13.851 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.632 -17.398 15.749 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.025 -16.326 14.503 1.00 0.00 H new ATOM 78 N ILE A 9 13.111 -18.307 12.111 1.00 0.00 N ATOM 79 CA ILE A 9 14.046 -18.617 11.037 1.00 0.00 C ATOM 80 C ILE A 9 14.914 -17.410 10.698 1.00 0.00 C ATOM 81 O ILE A 9 14.404 -16.331 10.396 1.00 0.00 O ATOM 82 CB ILE A 9 13.310 -19.079 9.765 1.00 0.00 C ATOM 83 CG1 ILE A 9 12.410 -20.277 10.077 1.00 0.00 C ATOM 84 CG2 ILE A 9 14.309 -19.430 8.673 1.00 0.00 C ATOM 85 CD1 ILE A 9 13.149 -21.443 10.694 1.00 0.00 C ATOM 0 H ILE A 9 12.306 -17.751 11.823 1.00 0.00 H new ATOM 0 HA ILE A 9 14.680 -19.428 11.395 1.00 0.00 H new ATOM 0 HB ILE A 9 12.684 -18.261 9.408 1.00 0.00 H new ATOM 0 HG12 ILE A 9 11.618 -19.959 10.755 1.00 0.00 H new ATOM 0 HG13 ILE A 9 11.928 -20.608 9.157 1.00 0.00 H new ATOM 0 HG21 ILE A 9 13.774 -19.755 7.781 1.00 0.00 H new ATOM 0 HG22 ILE A 9 14.912 -18.553 8.436 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.959 -20.234 9.019 1.00 0.00 H new ATOM 0 HD11 ILE A 9 12.449 -22.256 10.888 1.00 0.00 H new ATOM 0 HD12 ILE A 9 13.923 -21.787 10.008 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.608 -21.128 11.631 1.00 0.00 H new ATOM 97 N VAL A 10 16.229 -17.599 10.749 1.00 0.00 N ATOM 98 CA VAL A 10 17.168 -16.527 10.445 1.00 0.00 C ATOM 99 C VAL A 10 17.511 -16.501 8.960 1.00 0.00 C ATOM 100 O VAL A 10 18.679 -16.413 8.583 1.00 0.00 O ATOM 101 CB VAL A 10 18.469 -16.673 11.258 1.00 0.00 C ATOM 102 CG1 VAL A 10 18.187 -16.526 12.746 1.00 0.00 C ATOM 103 CG2 VAL A 10 19.135 -18.007 10.960 1.00 0.00 C ATOM 0 H VAL A 10 16.668 -18.485 10.998 1.00 0.00 H new ATOM 0 HA VAL A 10 16.680 -15.592 10.719 1.00 0.00 H new ATOM 0 HB VAL A 10 19.154 -15.878 10.963 1.00 0.00 H new ATOM 0 HG11 VAL A 10 19.117 -16.632 13.305 1.00 0.00 H new ATOM 0 HG12 VAL A 10 17.757 -15.543 12.940 1.00 0.00 H new ATOM 0 HG13 VAL A 10 17.484 -17.298 13.061 1.00 0.00 H new ATOM 0 HG21 VAL A 10 20.052 -18.094 11.542 1.00 0.00 H new ATOM 0 HG22 VAL A 10 18.458 -18.819 11.226 1.00 0.00 H new ATOM 0 HG23 VAL A 10 19.373 -18.066 9.898 1.00 0.00 H new ATOM 113 N ALA A 11 16.483 -16.576 8.120 1.00 0.00 N ATOM 114 CA ALA A 11 16.675 -16.558 6.675 1.00 0.00 C ATOM 115 C ALA A 11 17.491 -15.345 6.244 1.00 0.00 C ATOM 116 O ALA A 11 17.525 -14.330 6.939 1.00 0.00 O ATOM 117 CB ALA A 11 15.329 -16.572 5.964 1.00 0.00 C ATOM 0 H ALA A 11 15.510 -16.650 8.415 1.00 0.00 H new ATOM 0 HA ALA A 11 17.231 -17.453 6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 11 15.487 -16.558 4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.782 -17.473 6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 11 14.753 -15.694 6.257 1.00 0.00 H new ATOM 123 N ARG A 12 18.147 -15.457 5.094 1.00 0.00 N ATOM 124 CA ARG A 12 18.965 -14.368 4.572 1.00 0.00 C ATOM 125 C ARG A 12 18.358 -13.798 3.294 1.00 0.00 C ATOM 126 O ARG A 12 18.009 -14.540 2.374 1.00 0.00 O ATOM 127 CB ARG A 12 20.389 -14.857 4.300 1.00 0.00 C ATOM 128 CG ARG A 12 21.088 -15.411 5.530 1.00 0.00 C ATOM 129 CD ARG A 12 21.376 -14.319 6.547 1.00 0.00 C ATOM 130 NE ARG A 12 22.572 -13.554 6.204 1.00 0.00 N ATOM 131 CZ ARG A 12 22.558 -12.474 5.432 1.00 0.00 C ATOM 132 NH1 ARG A 12 21.415 -12.031 4.926 1.00 0.00 N ATOM 133 NH2 ARG A 12 23.688 -11.831 5.165 1.00 0.00 N ATOM 0 H ARG A 12 18.128 -16.290 4.506 1.00 0.00 H new ATOM 0 HA ARG A 12 18.997 -13.578 5.322 1.00 0.00 H new ATOM 0 HB2 ARG A 12 20.358 -15.629 3.531 1.00 0.00 H new ATOM 0 HB3 ARG A 12 20.977 -14.031 3.899 1.00 0.00 H new ATOM 0 HG2 ARG A 12 20.466 -16.181 5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 12 22.022 -15.890 5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 12 20.521 -13.646 6.609 1.00 0.00 H new ATOM 0 HD3 ARG A 12 21.502 -14.766 7.533 1.00 0.00 H new ATOM 0 HE ARG A 12 23.468 -13.867 6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 12 20.543 -12.520 5.130 1.00 0.00 H new ATOM 0 HH12 ARG A 12 21.407 -11.201 4.333 1.00 0.00 H new ATOM 0 HH21 ARG A 12 24.570 -12.166 5.553 1.00 0.00 H new ATOM 0 HH22 ARG A 12 23.675 -11.001 4.572 1.00 0.00 H new ATOM 147 N LEU A 13 18.235 -12.477 3.242 1.00 0.00 N ATOM 148 CA LEU A 13 17.670 -11.805 2.076 1.00 0.00 C ATOM 149 C LEU A 13 18.769 -11.183 1.220 1.00 0.00 C ATOM 150 O LEU A 13 19.465 -10.267 1.657 1.00 0.00 O ATOM 151 CB LEU A 13 16.678 -10.727 2.515 1.00 0.00 C ATOM 152 CG LEU A 13 15.536 -11.193 3.419 1.00 0.00 C ATOM 153 CD1 LEU A 13 15.943 -11.106 4.881 1.00 0.00 C ATOM 154 CD2 LEU A 13 14.283 -10.370 3.162 1.00 0.00 C ATOM 0 H LEU A 13 18.519 -11.849 3.994 1.00 0.00 H new ATOM 0 HA LEU A 13 17.146 -12.550 1.477 1.00 0.00 H new ATOM 0 HB2 LEU A 13 17.230 -9.944 3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.246 -10.274 1.623 1.00 0.00 H new ATOM 0 HG LEU A 13 15.316 -12.235 3.186 1.00 0.00 H new ATOM 0 HD11 LEU A 13 15.118 -11.442 5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 13 16.812 -11.740 5.055 1.00 0.00 H new ATOM 0 HD13 LEU A 13 16.191 -10.074 5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.481 -10.715 3.814 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.490 -9.319 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 13 13.980 -10.485 2.121 1.00 0.00 H new ATOM 166 N GLN A 14 18.917 -11.687 -0.001 1.00 0.00 N ATOM 167 CA GLN A 14 19.930 -11.179 -0.919 1.00 0.00 C ATOM 168 C GLN A 14 19.335 -10.145 -1.870 1.00 0.00 C ATOM 169 O GLN A 14 19.839 -9.028 -1.984 1.00 0.00 O ATOM 170 CB GLN A 14 20.547 -12.328 -1.718 1.00 0.00 C ATOM 171 CG GLN A 14 21.492 -11.867 -2.815 1.00 0.00 C ATOM 172 CD GLN A 14 21.956 -13.006 -3.702 1.00 0.00 C ATOM 173 OE1 GLN A 14 21.669 -14.174 -3.434 1.00 0.00 O ATOM 174 NE2 GLN A 14 22.678 -12.672 -4.765 1.00 0.00 N ATOM 0 H GLN A 14 18.349 -12.446 -0.377 1.00 0.00 H new ATOM 0 HA GLN A 14 20.709 -10.697 -0.329 1.00 0.00 H new ATOM 0 HB2 GLN A 14 21.088 -12.984 -1.036 1.00 0.00 H new ATOM 0 HB3 GLN A 14 19.748 -12.920 -2.164 1.00 0.00 H new ATOM 0 HG2 GLN A 14 20.993 -11.115 -3.427 1.00 0.00 H new ATOM 0 HG3 GLN A 14 22.360 -11.386 -2.364 1.00 0.00 H new ATOM 0 HE21 GLN A 14 22.892 -11.692 -4.949 1.00 0.00 H new ATOM 0 HE22 GLN A 14 23.019 -13.396 -5.398 1.00 0.00 H new ATOM 183 N THR A 15 18.258 -10.526 -2.550 1.00 0.00 N ATOM 184 CA THR A 15 17.595 -9.634 -3.493 1.00 0.00 C ATOM 185 C THR A 15 16.363 -8.990 -2.866 1.00 0.00 C ATOM 186 O THR A 15 15.948 -9.361 -1.768 1.00 0.00 O ATOM 187 CB THR A 15 17.174 -10.380 -4.772 1.00 0.00 C ATOM 188 OG1 THR A 15 16.433 -11.558 -4.432 1.00 0.00 O ATOM 189 CG2 THR A 15 18.392 -10.762 -5.601 1.00 0.00 C ATOM 0 H THR A 15 17.826 -11.446 -2.465 1.00 0.00 H new ATOM 0 HA THR A 15 18.315 -8.859 -3.754 1.00 0.00 H new ATOM 0 HB THR A 15 16.545 -9.715 -5.364 1.00 0.00 H new ATOM 0 HG1 THR A 15 16.168 -12.025 -5.251 1.00 0.00 H new ATOM 0 HG21 THR A 15 18.070 -11.288 -6.500 1.00 0.00 H new ATOM 0 HG22 THR A 15 18.937 -9.861 -5.883 1.00 0.00 H new ATOM 0 HG23 THR A 15 19.042 -11.411 -5.014 1.00 0.00 H new ATOM 197 N GLN A 16 15.783 -8.023 -3.570 1.00 0.00 N ATOM 198 CA GLN A 16 14.599 -7.327 -3.081 1.00 0.00 C ATOM 199 C GLN A 16 13.429 -7.503 -4.043 1.00 0.00 C ATOM 200 O GLN A 16 13.621 -7.654 -5.249 1.00 0.00 O ATOM 201 CB GLN A 16 14.898 -5.839 -2.890 1.00 0.00 C ATOM 202 CG GLN A 16 15.707 -5.538 -1.638 1.00 0.00 C ATOM 203 CD GLN A 16 14.942 -5.836 -0.363 1.00 0.00 C ATOM 204 OE1 GLN A 16 14.687 -6.995 -0.035 1.00 0.00 O ATOM 205 NE2 GLN A 16 14.571 -4.788 0.364 1.00 0.00 N ATOM 0 H GLN A 16 16.114 -7.704 -4.481 1.00 0.00 H new ATOM 0 HA GLN A 16 14.324 -7.761 -2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 16 15.441 -5.471 -3.761 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.957 -5.290 -2.846 1.00 0.00 H new ATOM 0 HG2 GLN A 16 16.624 -6.126 -1.653 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.001 -4.488 -1.644 1.00 0.00 H new ATOM 0 HE21 GLN A 16 14.804 -3.844 0.054 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.053 -4.927 1.232 1.00 0.00 H new ATOM 214 N ALA A 17 12.216 -7.483 -3.500 1.00 0.00 N ATOM 215 CA ALA A 17 11.014 -7.639 -4.311 1.00 0.00 C ATOM 216 C ALA A 17 10.166 -6.372 -4.284 1.00 0.00 C ATOM 217 O ALA A 17 10.183 -5.622 -3.308 1.00 0.00 O ATOM 218 CB ALA A 17 10.201 -8.830 -3.827 1.00 0.00 C ATOM 0 H ALA A 17 12.040 -7.360 -2.503 1.00 0.00 H new ATOM 0 HA ALA A 17 11.322 -7.818 -5.341 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.307 -8.934 -4.442 1.00 0.00 H new ATOM 0 HB2 ALA A 17 10.802 -9.736 -3.904 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.911 -8.674 -2.788 1.00 0.00 H new ATOM 224 N SER A 18 9.426 -6.138 -5.364 1.00 0.00 N ATOM 225 CA SER A 18 8.574 -4.958 -5.465 1.00 0.00 C ATOM 226 C SER A 18 7.215 -5.319 -6.057 1.00 0.00 C ATOM 227 O SER A 18 7.131 -5.915 -7.131 1.00 0.00 O ATOM 228 CB SER A 18 9.250 -3.888 -6.325 1.00 0.00 C ATOM 229 OG SER A 18 9.873 -4.464 -7.459 1.00 0.00 O ATOM 0 H SER A 18 9.399 -6.749 -6.180 1.00 0.00 H new ATOM 0 HA SER A 18 8.420 -4.563 -4.461 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.511 -3.154 -6.646 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.992 -3.354 -5.731 1.00 0.00 H new ATOM 0 HG SER A 18 10.296 -3.760 -7.993 1.00 0.00 H new ATOM 235 N ALA A 19 6.152 -4.954 -5.348 1.00 0.00 N ATOM 236 CA ALA A 19 4.796 -5.235 -5.803 1.00 0.00 C ATOM 237 C ALA A 19 4.007 -3.948 -6.010 1.00 0.00 C ATOM 238 O ALA A 19 4.485 -2.856 -5.698 1.00 0.00 O ATOM 239 CB ALA A 19 4.083 -6.139 -4.807 1.00 0.00 C ATOM 0 H ALA A 19 6.204 -4.463 -4.456 1.00 0.00 H new ATOM 0 HA ALA A 19 4.861 -5.748 -6.763 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.071 -6.341 -5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.629 -7.078 -4.712 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.038 -5.646 -3.836 1.00 0.00 H new ATOM 245 N THR A 20 2.795 -4.080 -6.541 1.00 0.00 N ATOM 246 CA THR A 20 1.940 -2.926 -6.792 1.00 0.00 C ATOM 247 C THR A 20 0.492 -3.225 -6.424 1.00 0.00 C ATOM 248 O THR A 20 0.080 -4.384 -6.373 1.00 0.00 O ATOM 249 CB THR A 20 2.004 -2.492 -8.269 1.00 0.00 C ATOM 250 OG1 THR A 20 2.073 -3.645 -9.116 1.00 0.00 O ATOM 251 CG2 THR A 20 3.210 -1.599 -8.519 1.00 0.00 C ATOM 0 H THR A 20 2.383 -4.975 -6.806 1.00 0.00 H new ATOM 0 HA THR A 20 2.311 -2.114 -6.166 1.00 0.00 H new ATOM 0 HB THR A 20 1.100 -1.927 -8.498 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.112 -3.361 -10.053 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.234 -1.305 -9.568 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.139 -0.708 -7.895 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.122 -2.143 -8.273 1.00 0.00 H new ATOM 259 N VAL A 21 -0.278 -2.172 -6.168 1.00 0.00 N ATOM 260 CA VAL A 21 -1.682 -2.322 -5.805 1.00 0.00 C ATOM 261 C VAL A 21 -2.561 -1.369 -6.607 1.00 0.00 C ATOM 262 O VAL A 21 -2.584 -0.165 -6.351 1.00 0.00 O ATOM 263 CB VAL A 21 -1.904 -2.066 -4.303 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.333 -0.714 -3.901 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.384 -2.149 -3.962 1.00 0.00 C ATOM 0 H VAL A 21 0.047 -1.206 -6.205 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.961 -3.350 -6.035 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.380 -2.838 -3.740 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.499 -0.551 -2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.263 -0.695 -4.108 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.827 0.073 -4.470 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.523 -1.966 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.932 -1.400 -4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.760 -3.141 -4.211 1.00 0.00 H new ATOM 275 N ALA A 22 -3.283 -1.915 -7.579 1.00 0.00 N ATOM 276 CA ALA A 22 -4.167 -1.114 -8.418 1.00 0.00 C ATOM 277 C ALA A 22 -5.290 -0.493 -7.595 1.00 0.00 C ATOM 278 O ALA A 22 -6.137 -1.201 -7.050 1.00 0.00 O ATOM 279 CB ALA A 22 -4.740 -1.963 -9.542 1.00 0.00 C ATOM 0 H ALA A 22 -3.274 -2.909 -7.806 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.581 -0.305 -8.853 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.398 -1.352 -10.160 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.927 -2.354 -10.154 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.307 -2.792 -9.119 1.00 0.00 H new ATOM 285 N ILE A 23 -5.291 0.834 -7.511 1.00 0.00 N ATOM 286 CA ILE A 23 -6.311 1.549 -6.755 1.00 0.00 C ATOM 287 C ILE A 23 -6.670 2.869 -7.429 1.00 0.00 C ATOM 288 O ILE A 23 -5.881 3.449 -8.175 1.00 0.00 O ATOM 289 CB ILE A 23 -5.850 1.831 -5.312 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.409 2.347 -5.307 1.00 0.00 C ATOM 291 CG2 ILE A 23 -5.972 0.576 -4.463 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.934 2.799 -3.944 1.00 0.00 C ATOM 0 H ILE A 23 -4.597 1.434 -7.957 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.191 0.906 -6.727 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.493 2.599 -4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.748 1.560 -5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.327 3.179 -6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.643 0.791 -3.446 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.011 0.248 -4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.350 -0.212 -4.887 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.905 3.152 -4.016 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.571 3.608 -3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.983 1.963 -3.246 1.00 0.00 H new ATOM 304 N PRO A 24 -7.890 3.359 -7.160 1.00 0.00 N ATOM 305 CA PRO A 24 -8.381 4.617 -7.729 1.00 0.00 C ATOM 306 C PRO A 24 -7.660 5.833 -7.155 1.00 0.00 C ATOM 307 O PRO A 24 -7.289 5.852 -5.981 1.00 0.00 O ATOM 308 CB PRO A 24 -9.858 4.635 -7.328 1.00 0.00 C ATOM 309 CG PRO A 24 -9.930 3.787 -6.106 1.00 0.00 C ATOM 310 CD PRO A 24 -8.883 2.720 -6.280 1.00 0.00 C ATOM 0 HA PRO A 24 -8.216 4.669 -8.805 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.201 5.650 -7.126 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.489 4.238 -8.123 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.740 4.377 -5.210 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.921 3.347 -5.994 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.445 2.427 -5.326 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.298 1.819 -6.730 1.00 0.00 H new ATOM 318 N LYS A 25 -7.464 6.847 -7.992 1.00 0.00 N ATOM 319 CA LYS A 25 -6.787 8.068 -7.568 1.00 0.00 C ATOM 320 C LYS A 25 -7.508 8.707 -6.386 1.00 0.00 C ATOM 321 O LYS A 25 -6.982 9.616 -5.744 1.00 0.00 O ATOM 322 CB LYS A 25 -6.710 9.061 -8.730 1.00 0.00 C ATOM 323 CG LYS A 25 -5.848 8.581 -9.885 1.00 0.00 C ATOM 324 CD LYS A 25 -4.370 8.626 -9.533 1.00 0.00 C ATOM 325 CE LYS A 25 -3.822 10.043 -9.611 1.00 0.00 C ATOM 326 NZ LYS A 25 -3.975 10.769 -8.319 1.00 0.00 N ATOM 0 H LYS A 25 -7.764 6.848 -8.967 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.777 7.805 -7.255 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.718 9.257 -9.097 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.315 10.008 -8.362 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.129 7.562 -10.151 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.033 9.202 -10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.222 8.232 -8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.813 7.981 -10.213 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.768 10.010 -9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.340 10.590 -10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.717 11.491 -8.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.239 10.096 -7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.075 11.227 -8.070 1.00 0.00 H new ATOM 340 N GLU A 26 -8.715 8.225 -6.104 1.00 0.00 N ATOM 341 CA GLU A 26 -9.507 8.750 -4.998 1.00 0.00 C ATOM 342 C GLU A 26 -9.050 8.153 -3.669 1.00 0.00 C ATOM 343 O GLU A 26 -9.126 8.801 -2.626 1.00 0.00 O ATOM 344 CB GLU A 26 -10.992 8.454 -5.219 1.00 0.00 C ATOM 345 CG GLU A 26 -11.775 8.276 -3.929 1.00 0.00 C ATOM 346 CD GLU A 26 -11.891 9.562 -3.134 1.00 0.00 C ATOM 347 OE1 GLU A 26 -12.580 10.491 -3.605 1.00 0.00 O ATOM 348 OE2 GLU A 26 -11.292 9.641 -2.041 1.00 0.00 O ATOM 0 H GLU A 26 -9.165 7.473 -6.626 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.361 9.830 -4.961 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.435 9.268 -5.794 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.088 7.550 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.774 7.907 -4.163 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.290 7.517 -3.316 1.00 0.00 H new ATOM 355 N HIS A 27 -8.576 6.913 -3.717 1.00 0.00 N ATOM 356 CA HIS A 27 -8.106 6.227 -2.519 1.00 0.00 C ATOM 357 C HIS A 27 -6.639 6.548 -2.249 1.00 0.00 C ATOM 358 O HIS A 27 -6.136 6.325 -1.146 1.00 0.00 O ATOM 359 CB HIS A 27 -8.291 4.716 -2.665 1.00 0.00 C ATOM 360 CG HIS A 27 -9.725 4.295 -2.760 1.00 0.00 C ATOM 361 ND1 HIS A 27 -10.114 3.044 -3.192 1.00 0.00 N ATOM 362 CD2 HIS A 27 -10.865 4.965 -2.476 1.00 0.00 C ATOM 363 CE1 HIS A 27 -11.433 2.965 -3.170 1.00 0.00 C ATOM 364 NE2 HIS A 27 -11.912 4.118 -2.739 1.00 0.00 N ATOM 0 H HIS A 27 -8.507 6.362 -4.573 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.698 6.578 -1.674 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.762 4.378 -3.556 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.830 4.218 -1.812 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -9.483 2.297 -3.483 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.938 5.979 -2.110 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.019 2.104 -3.456 1.00 0.00 H new ATOM 372 N HIS A 28 -5.956 7.071 -3.262 1.00 0.00 N ATOM 373 CA HIS A 28 -4.546 7.423 -3.134 1.00 0.00 C ATOM 374 C HIS A 28 -4.333 8.403 -1.984 1.00 0.00 C ATOM 375 O HIS A 28 -3.527 8.156 -1.087 1.00 0.00 O ATOM 376 CB HIS A 28 -4.030 8.030 -4.439 1.00 0.00 C ATOM 377 CG HIS A 28 -3.588 7.008 -5.441 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.505 7.189 -6.273 1.00 0.00 N ATOM 379 CD2 HIS A 28 -4.091 5.787 -5.740 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.361 6.125 -7.043 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.310 5.259 -6.740 1.00 0.00 N ATOM 0 H HIS A 28 -6.356 7.261 -4.181 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.987 6.512 -2.920 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.815 8.644 -4.880 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.194 8.694 -4.216 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.946 5.316 -5.279 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.596 5.987 -7.793 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.442 4.347 -7.177 1.00 0.00 H new ATOM 389 N ARG A 29 -5.060 9.515 -2.018 1.00 0.00 N ATOM 390 CA ARG A 29 -4.949 10.532 -0.980 1.00 0.00 C ATOM 391 C ARG A 29 -5.065 9.909 0.408 1.00 0.00 C ATOM 392 O ARG A 29 -4.321 10.261 1.322 1.00 0.00 O ATOM 393 CB ARG A 29 -6.030 11.599 -1.164 1.00 0.00 C ATOM 394 CG ARG A 29 -7.422 11.129 -0.775 1.00 0.00 C ATOM 395 CD ARG A 29 -8.478 12.164 -1.125 1.00 0.00 C ATOM 396 NE ARG A 29 -8.582 13.206 -0.106 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.067 14.419 -0.342 1.00 0.00 C ATOM 398 NH1 ARG A 29 -9.492 14.743 -1.555 1.00 0.00 N ATOM 399 NH2 ARG A 29 -9.129 15.313 0.637 1.00 0.00 N ATOM 0 H ARG A 29 -5.732 9.734 -2.753 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.968 10.999 -1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.771 12.473 -0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.041 11.917 -2.207 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.646 10.192 -1.285 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.452 10.925 0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.235 12.619 -2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.444 11.672 -1.240 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.264 12.989 0.839 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -9.447 14.059 -2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.864 15.676 -1.733 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.804 15.068 1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.502 16.245 0.454 1.00 0.00 H new ATOM 413 N PHE A 30 -6.004 8.980 0.557 1.00 0.00 N ATOM 414 CA PHE A 30 -6.219 8.308 1.833 1.00 0.00 C ATOM 415 C PHE A 30 -4.941 7.622 2.307 1.00 0.00 C ATOM 416 O PHE A 30 -4.696 7.505 3.508 1.00 0.00 O ATOM 417 CB PHE A 30 -7.347 7.282 1.709 1.00 0.00 C ATOM 418 CG PHE A 30 -8.717 7.875 1.874 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.226 8.136 3.137 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.496 8.171 0.767 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.486 8.682 3.292 1.00 0.00 C ATOM 422 CE2 PHE A 30 -10.757 8.718 0.917 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.253 8.972 2.180 1.00 0.00 C ATOM 0 H PHE A 30 -6.628 8.676 -0.190 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.502 9.060 2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.283 6.800 0.733 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.204 6.504 2.459 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.631 7.910 4.010 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.114 7.972 -0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.871 8.882 4.281 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.354 8.946 0.046 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.239 9.397 2.299 1.00 0.00 H new ATOM 433 N VAL A 31 -4.132 7.168 1.355 1.00 0.00 N ATOM 434 CA VAL A 31 -2.879 6.494 1.676 1.00 0.00 C ATOM 435 C VAL A 31 -1.796 7.497 2.056 1.00 0.00 C ATOM 436 O VAL A 31 -0.974 7.235 2.934 1.00 0.00 O ATOM 437 CB VAL A 31 -2.383 5.641 0.492 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.103 4.907 0.863 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.461 4.663 0.052 1.00 0.00 C ATOM 0 H VAL A 31 -4.321 7.254 0.356 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.078 5.842 2.526 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.164 6.304 -0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.767 4.310 0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.331 5.631 1.125 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.292 4.254 1.715 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.094 4.069 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.714 4.003 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.349 5.215 -0.257 1.00 0.00 H new ATOM 449 N ILE A 32 -1.800 8.646 1.388 1.00 0.00 N ATOM 450 CA ILE A 32 -0.819 9.689 1.657 1.00 0.00 C ATOM 451 C ILE A 32 -1.098 10.375 2.990 1.00 0.00 C ATOM 452 O ILE A 32 -0.179 10.662 3.756 1.00 0.00 O ATOM 453 CB ILE A 32 -0.804 10.749 0.540 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.510 10.093 -0.811 1.00 0.00 C ATOM 455 CG2 ILE A 32 0.224 11.828 0.847 1.00 0.00 C ATOM 456 CD1 ILE A 32 -0.956 10.923 -1.995 1.00 0.00 C ATOM 0 H ILE A 32 -2.472 8.878 0.657 1.00 0.00 H new ATOM 0 HA ILE A 32 0.156 9.203 1.698 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.787 11.216 0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.561 9.907 -0.890 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.005 9.123 -0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.223 12.570 0.048 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.027 12.311 1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.214 11.377 0.922 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.716 10.397 -2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.032 11.087 -1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.441 11.884 -1.980 1.00 0.00 H new ATOM 468 N GLY A 33 -2.373 10.633 3.261 1.00 0.00 N ATOM 469 CA GLY A 33 -2.751 11.283 4.503 1.00 0.00 C ATOM 470 C GLY A 33 -3.409 12.629 4.277 1.00 0.00 C ATOM 471 O GLY A 33 -3.096 13.329 3.313 1.00 0.00 O ATOM 0 H GLY A 33 -3.152 10.404 2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.434 10.637 5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.865 11.415 5.124 1.00 0.00 H new ATOM 475 N LYS A 34 -4.326 12.994 5.167 1.00 0.00 N ATOM 476 CA LYS A 34 -5.032 14.266 5.061 1.00 0.00 C ATOM 477 C LYS A 34 -4.057 15.408 4.795 1.00 0.00 C ATOM 478 O LYS A 34 -4.319 16.278 3.964 1.00 0.00 O ATOM 479 CB LYS A 34 -5.821 14.542 6.343 1.00 0.00 C ATOM 480 CG LYS A 34 -4.968 14.518 7.599 1.00 0.00 C ATOM 481 CD LYS A 34 -5.745 15.007 8.810 1.00 0.00 C ATOM 482 CE LYS A 34 -4.971 14.774 10.099 1.00 0.00 C ATOM 483 NZ LYS A 34 -5.450 15.658 11.199 1.00 0.00 N ATOM 0 H LYS A 34 -4.598 12.427 5.970 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.725 14.201 4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.303 15.516 6.260 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.614 13.800 6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.612 13.504 7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.087 15.143 7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.961 16.070 8.701 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.704 14.491 8.861 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.072 13.731 10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.910 14.954 9.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.899 15.470 12.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.330 16.653 10.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.456 15.469 11.384 1.00 0.00 H new ATOM 497 N ASN A 35 -2.933 15.399 5.503 1.00 0.00 N ATOM 498 CA ASN A 35 -1.919 16.435 5.341 1.00 0.00 C ATOM 499 C ASN A 35 -0.673 15.875 4.662 1.00 0.00 C ATOM 500 O ASN A 35 0.077 16.606 4.017 1.00 0.00 O ATOM 501 CB ASN A 35 -1.548 17.032 6.700 1.00 0.00 C ATOM 502 CG ASN A 35 -2.723 17.060 7.658 1.00 0.00 C ATOM 503 OD1 ASN A 35 -2.644 16.541 8.771 1.00 0.00 O ATOM 504 ND2 ASN A 35 -3.822 17.671 7.229 1.00 0.00 N ATOM 0 H ASN A 35 -2.701 14.686 6.195 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.335 17.219 4.708 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.737 16.451 7.140 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.173 18.046 6.559 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.644 17.723 7.830 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.843 18.088 6.298 1.00 0.00 H new ATOM 511 N GLY A 36 -0.459 14.571 4.811 1.00 0.00 N ATOM 512 CA GLY A 36 0.697 13.934 4.207 1.00 0.00 C ATOM 513 C GLY A 36 1.563 13.218 5.224 1.00 0.00 C ATOM 514 O GLY A 36 2.775 13.425 5.273 1.00 0.00 O ATOM 0 H GLY A 36 -1.066 13.944 5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.362 13.221 3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.294 14.686 3.691 1.00 0.00 H new ATOM 518 N GLU A 37 0.939 12.374 6.041 1.00 0.00 N ATOM 519 CA GLU A 37 1.662 11.627 7.063 1.00 0.00 C ATOM 520 C GLU A 37 1.382 10.132 6.945 1.00 0.00 C ATOM 521 O GLU A 37 2.213 9.302 7.315 1.00 0.00 O ATOM 522 CB GLU A 37 1.271 12.122 8.458 1.00 0.00 C ATOM 523 CG GLU A 37 1.006 13.616 8.523 1.00 0.00 C ATOM 524 CD GLU A 37 1.235 14.190 9.907 1.00 0.00 C ATOM 525 OE1 GLU A 37 2.025 13.599 10.672 1.00 0.00 O ATOM 526 OE2 GLU A 37 0.622 15.231 10.225 1.00 0.00 O ATOM 0 H GLU A 37 -0.064 12.191 6.015 1.00 0.00 H new ATOM 0 HA GLU A 37 2.729 11.792 6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.379 11.589 8.786 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.067 11.872 9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.653 14.127 7.810 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.022 13.812 8.218 1.00 0.00 H new ATOM 533 N LYS A 38 0.205 9.796 6.428 1.00 0.00 N ATOM 534 CA LYS A 38 -0.187 8.401 6.258 1.00 0.00 C ATOM 535 C LYS A 38 0.837 7.647 5.417 1.00 0.00 C ATOM 536 O LYS A 38 0.982 6.430 5.541 1.00 0.00 O ATOM 537 CB LYS A 38 -1.566 8.313 5.603 1.00 0.00 C ATOM 538 CG LYS A 38 -2.155 6.913 5.607 1.00 0.00 C ATOM 539 CD LYS A 38 -2.578 6.490 7.004 1.00 0.00 C ATOM 540 CE LYS A 38 -2.546 4.978 7.162 1.00 0.00 C ATOM 541 NZ LYS A 38 -2.753 4.564 8.578 1.00 0.00 N ATOM 0 H LYS A 38 -0.495 10.471 6.119 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.231 7.939 7.244 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.249 8.986 6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.493 8.664 4.574 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.016 6.877 4.939 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.421 6.207 5.219 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.917 6.948 7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.584 6.857 7.207 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.318 4.531 6.536 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.588 4.596 6.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.724 3.526 8.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.002 4.970 9.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.678 4.907 8.908 1.00 0.00 H new ATOM 555 N LEU A 39 1.545 8.376 4.562 1.00 0.00 N ATOM 556 CA LEU A 39 2.558 7.776 3.699 1.00 0.00 C ATOM 557 C LEU A 39 3.909 7.720 4.404 1.00 0.00 C ATOM 558 O LEU A 39 4.609 6.710 4.344 1.00 0.00 O ATOM 559 CB LEU A 39 2.680 8.567 2.396 1.00 0.00 C ATOM 560 CG LEU A 39 4.009 8.430 1.651 1.00 0.00 C ATOM 561 CD1 LEU A 39 4.100 7.074 0.968 1.00 0.00 C ATOM 562 CD2 LEU A 39 4.169 9.552 0.635 1.00 0.00 C ATOM 0 H LEU A 39 1.437 9.384 4.447 1.00 0.00 H new ATOM 0 HA LEU A 39 2.247 6.757 3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.878 8.254 1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.517 9.622 2.618 1.00 0.00 H new ATOM 0 HG LEU A 39 4.820 8.505 2.376 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.052 6.994 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.031 6.284 1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.282 6.970 0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.120 9.439 0.114 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.353 9.509 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.149 10.513 1.148 1.00 0.00 H new ATOM 574 N GLN A 40 4.268 8.811 5.071 1.00 0.00 N ATOM 575 CA GLN A 40 5.535 8.886 5.789 1.00 0.00 C ATOM 576 C GLN A 40 5.578 7.870 6.926 1.00 0.00 C ATOM 577 O GLN A 40 6.613 7.257 7.185 1.00 0.00 O ATOM 578 CB GLN A 40 5.752 10.296 6.340 1.00 0.00 C ATOM 579 CG GLN A 40 5.190 10.495 7.739 1.00 0.00 C ATOM 580 CD GLN A 40 5.554 11.844 8.328 1.00 0.00 C ATOM 581 OE1 GLN A 40 5.457 12.873 7.657 1.00 0.00 O ATOM 582 NE2 GLN A 40 5.975 11.847 9.587 1.00 0.00 N ATOM 0 H GLN A 40 3.700 9.656 5.130 1.00 0.00 H new ATOM 0 HA GLN A 40 6.335 8.652 5.087 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.820 10.512 6.352 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.289 11.016 5.665 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.105 10.397 7.708 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.562 9.705 8.392 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.040 10.971 10.105 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.234 12.725 10.036 1.00 0.00 H new ATOM 591 N ASP A 41 4.447 7.698 7.601 1.00 0.00 N ATOM 592 CA ASP A 41 4.354 6.756 8.710 1.00 0.00 C ATOM 593 C ASP A 41 4.364 5.317 8.204 1.00 0.00 C ATOM 594 O ASP A 41 4.890 4.419 8.863 1.00 0.00 O ATOM 595 CB ASP A 41 3.084 7.015 9.523 1.00 0.00 C ATOM 596 CG ASP A 41 3.226 6.589 10.971 1.00 0.00 C ATOM 597 OD1 ASP A 41 3.826 5.523 11.219 1.00 0.00 O ATOM 598 OD2 ASP A 41 2.736 7.323 11.856 1.00 0.00 O ATOM 0 H ASP A 41 3.582 8.199 7.400 1.00 0.00 H new ATOM 0 HA ASP A 41 5.223 6.902 9.352 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.840 8.077 9.482 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.250 6.479 9.070 1.00 0.00 H new ATOM 603 N LEU A 42 3.780 5.104 7.030 1.00 0.00 N ATOM 604 CA LEU A 42 3.721 3.774 6.435 1.00 0.00 C ATOM 605 C LEU A 42 5.100 3.330 5.957 1.00 0.00 C ATOM 606 O LEU A 42 5.561 2.239 6.291 1.00 0.00 O ATOM 607 CB LEU A 42 2.735 3.760 5.266 1.00 0.00 C ATOM 608 CG LEU A 42 1.287 3.415 5.614 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.383 3.626 4.409 1.00 0.00 C ATOM 610 CD2 LEU A 42 1.185 1.980 6.113 1.00 0.00 C ATOM 0 H LEU A 42 3.341 5.836 6.471 1.00 0.00 H new ATOM 0 HA LEU A 42 3.379 3.076 7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.750 4.742 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.090 3.043 4.526 1.00 0.00 H new ATOM 0 HG LEU A 42 0.958 4.081 6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.644 3.375 4.676 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.432 4.669 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.712 2.985 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.147 1.752 6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.534 1.299 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.801 1.860 7.004 1.00 0.00 H new ATOM 622 N GLU A 43 5.754 4.184 5.176 1.00 0.00 N ATOM 623 CA GLU A 43 7.080 3.878 4.653 1.00 0.00 C ATOM 624 C GLU A 43 8.027 3.469 5.778 1.00 0.00 C ATOM 625 O GLU A 43 8.958 2.690 5.568 1.00 0.00 O ATOM 626 CB GLU A 43 7.650 5.087 3.908 1.00 0.00 C ATOM 627 CG GLU A 43 7.271 5.130 2.437 1.00 0.00 C ATOM 628 CD GLU A 43 8.034 6.191 1.669 1.00 0.00 C ATOM 629 OE1 GLU A 43 9.250 6.007 1.453 1.00 0.00 O ATOM 630 OE2 GLU A 43 7.416 7.205 1.283 1.00 0.00 O ATOM 0 H GLU A 43 5.387 5.092 4.892 1.00 0.00 H new ATOM 0 HA GLU A 43 6.985 3.043 3.959 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.300 5.999 4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.737 5.077 3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.461 4.155 1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.201 5.320 2.347 1.00 0.00 H new ATOM 637 N LEU A 44 7.782 3.998 6.971 1.00 0.00 N ATOM 638 CA LEU A 44 8.611 3.688 8.131 1.00 0.00 C ATOM 639 C LEU A 44 8.163 2.389 8.790 1.00 0.00 C ATOM 640 O LEU A 44 8.892 1.397 8.792 1.00 0.00 O ATOM 641 CB LEU A 44 8.555 4.833 9.143 1.00 0.00 C ATOM 642 CG LEU A 44 9.457 6.033 8.852 1.00 0.00 C ATOM 643 CD1 LEU A 44 9.305 7.091 9.933 1.00 0.00 C ATOM 644 CD2 LEU A 44 10.909 5.592 8.736 1.00 0.00 C ATOM 0 H LEU A 44 7.016 4.644 7.161 1.00 0.00 H new ATOM 0 HA LEU A 44 9.638 3.564 7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.525 5.185 9.206 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.817 4.437 10.124 1.00 0.00 H new ATOM 0 HG LEU A 44 9.152 6.469 7.901 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.955 7.937 9.708 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.269 7.429 9.969 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.582 6.667 10.898 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.537 6.458 8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.225 5.130 9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.007 4.871 7.924 1.00 0.00 H new ATOM 656 N LYS A 45 6.957 2.399 9.347 1.00 0.00 N ATOM 657 CA LYS A 45 6.407 1.220 10.007 1.00 0.00 C ATOM 658 C LYS A 45 6.631 -0.029 9.162 1.00 0.00 C ATOM 659 O LYS A 45 6.872 -1.115 9.692 1.00 0.00 O ATOM 660 CB LYS A 45 4.912 1.409 10.271 1.00 0.00 C ATOM 661 CG LYS A 45 4.290 0.283 11.078 1.00 0.00 C ATOM 662 CD LYS A 45 2.775 0.280 10.956 1.00 0.00 C ATOM 663 CE LYS A 45 2.327 -0.257 9.605 1.00 0.00 C ATOM 664 NZ LYS A 45 2.569 -1.721 9.482 1.00 0.00 N ATOM 0 H LYS A 45 6.341 3.212 9.355 1.00 0.00 H new ATOM 0 HA LYS A 45 6.924 1.092 10.958 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.761 2.350 10.800 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.391 1.492 9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.685 -0.673 10.735 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.571 0.387 12.126 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.346 -0.329 11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.396 1.293 11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.266 -0.052 9.466 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.859 0.267 8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.032 -2.095 8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.584 -1.894 9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.260 -2.198 10.353 1.00 0.00 H new ATOM 678 N THR A 46 6.551 0.129 7.845 1.00 0.00 N ATOM 679 CA THR A 46 6.745 -0.986 6.926 1.00 0.00 C ATOM 680 C THR A 46 8.155 -0.982 6.347 1.00 0.00 C ATOM 681 O THR A 46 8.579 -1.949 5.715 1.00 0.00 O ATOM 682 CB THR A 46 5.727 -0.946 5.772 1.00 0.00 C ATOM 683 OG1 THR A 46 6.033 0.135 4.885 1.00 0.00 O ATOM 684 CG2 THR A 46 4.311 -0.786 6.303 1.00 0.00 C ATOM 0 H THR A 46 6.353 1.020 7.390 1.00 0.00 H new ATOM 0 HA THR A 46 6.595 -1.900 7.501 1.00 0.00 H new ATOM 0 HB THR A 46 5.790 -1.890 5.230 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.688 0.973 5.259 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.610 -0.760 5.469 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.069 -1.626 6.954 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.237 0.143 6.868 1.00 0.00 H new ATOM 692 N ALA A 47 8.877 0.112 6.567 1.00 0.00 N ATOM 693 CA ALA A 47 10.240 0.240 6.068 1.00 0.00 C ATOM 694 C ALA A 47 10.316 -0.096 4.582 1.00 0.00 C ATOM 695 O ALA A 47 11.231 -0.789 4.137 1.00 0.00 O ATOM 696 CB ALA A 47 11.180 -0.657 6.862 1.00 0.00 C ATOM 0 H ALA A 47 8.540 0.922 7.087 1.00 0.00 H new ATOM 0 HA ALA A 47 10.550 1.277 6.195 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.195 -0.551 6.478 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.157 -0.368 7.913 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.862 -1.695 6.764 1.00 0.00 H new ATOM 702 N THR A 48 9.345 0.397 3.818 1.00 0.00 N ATOM 703 CA THR A 48 9.301 0.148 2.384 1.00 0.00 C ATOM 704 C THR A 48 9.447 1.443 1.595 1.00 0.00 C ATOM 705 O THR A 48 9.601 2.520 2.172 1.00 0.00 O ATOM 706 CB THR A 48 7.987 -0.544 1.974 1.00 0.00 C ATOM 707 OG1 THR A 48 6.867 0.239 2.403 1.00 0.00 O ATOM 708 CG2 THR A 48 7.898 -1.938 2.578 1.00 0.00 C ATOM 0 H THR A 48 8.579 0.971 4.170 1.00 0.00 H new ATOM 0 HA THR A 48 10.138 -0.511 2.153 1.00 0.00 H new ATOM 0 HB THR A 48 7.973 -0.634 0.888 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.648 0.015 3.332 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.962 -2.407 2.275 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.736 -2.541 2.228 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.932 -1.866 3.665 1.00 0.00 H new ATOM 716 N LYS A 49 9.396 1.334 0.272 1.00 0.00 N ATOM 717 CA LYS A 49 9.521 2.498 -0.598 1.00 0.00 C ATOM 718 C LYS A 49 8.238 2.724 -1.392 1.00 0.00 C ATOM 719 O LYS A 49 8.135 2.318 -2.549 1.00 0.00 O ATOM 720 CB LYS A 49 10.702 2.321 -1.556 1.00 0.00 C ATOM 721 CG LYS A 49 11.225 3.629 -2.124 1.00 0.00 C ATOM 722 CD LYS A 49 12.136 4.340 -1.140 1.00 0.00 C ATOM 723 CE LYS A 49 13.507 3.682 -1.072 1.00 0.00 C ATOM 724 NZ LYS A 49 14.442 4.437 -0.193 1.00 0.00 N ATOM 0 H LYS A 49 9.269 0.451 -0.222 1.00 0.00 H new ATOM 0 HA LYS A 49 9.698 3.372 0.029 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.511 1.813 -1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.398 1.673 -2.378 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.769 3.434 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.386 4.277 -2.378 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.247 5.384 -1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.679 4.334 -0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.402 2.663 -0.700 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.927 3.614 -2.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.364 3.957 -0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.562 5.402 -0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.054 4.480 0.771 1.00 0.00 H new ATOM 738 N ILE A 50 7.266 3.376 -0.762 1.00 0.00 N ATOM 739 CA ILE A 50 5.991 3.657 -1.412 1.00 0.00 C ATOM 740 C ILE A 50 6.127 4.793 -2.419 1.00 0.00 C ATOM 741 O ILE A 50 6.494 5.912 -2.061 1.00 0.00 O ATOM 742 CB ILE A 50 4.905 4.025 -0.383 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.705 2.879 0.610 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.598 4.357 -1.089 1.00 0.00 C ATOM 745 CD1 ILE A 50 3.914 3.276 1.838 1.00 0.00 C ATOM 0 H ILE A 50 7.337 3.719 0.196 1.00 0.00 H new ATOM 0 HA ILE A 50 5.694 2.747 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 50 5.231 4.906 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.193 2.058 0.107 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.680 2.504 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.840 4.615 -0.349 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.752 5.202 -1.761 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.265 3.493 -1.663 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.811 2.415 2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.435 4.076 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.926 3.623 1.537 1.00 0.00 H new ATOM 757 N GLN A 51 5.827 4.498 -3.680 1.00 0.00 N ATOM 758 CA GLN A 51 5.915 5.496 -4.739 1.00 0.00 C ATOM 759 C GLN A 51 4.568 5.675 -5.431 1.00 0.00 C ATOM 760 O GLN A 51 4.130 4.811 -6.191 1.00 0.00 O ATOM 761 CB GLN A 51 6.977 5.091 -5.763 1.00 0.00 C ATOM 762 CG GLN A 51 8.367 5.614 -5.437 1.00 0.00 C ATOM 763 CD GLN A 51 9.275 5.656 -6.650 1.00 0.00 C ATOM 764 OE1 GLN A 51 8.928 6.236 -7.680 1.00 0.00 O ATOM 765 NE2 GLN A 51 10.447 5.040 -6.536 1.00 0.00 N ATOM 0 H GLN A 51 5.521 3.577 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 51 6.200 6.446 -4.286 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.013 4.003 -5.826 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.681 5.458 -6.746 1.00 0.00 H new ATOM 0 HG2 GLN A 51 8.284 6.616 -5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.818 4.982 -4.672 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.694 4.572 -5.664 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.099 5.036 -7.320 1.00 0.00 H new ATOM 774 N ILE A 52 3.916 6.801 -5.162 1.00 0.00 N ATOM 775 CA ILE A 52 2.619 7.094 -5.759 1.00 0.00 C ATOM 776 C ILE A 52 2.775 7.877 -7.058 1.00 0.00 C ATOM 777 O ILE A 52 3.593 8.792 -7.165 1.00 0.00 O ATOM 778 CB ILE A 52 1.722 7.892 -4.796 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.473 7.092 -3.515 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.405 8.247 -5.469 1.00 0.00 C ATOM 781 CD1 ILE A 52 1.021 7.944 -2.349 1.00 0.00 C ATOM 0 H ILE A 52 4.265 7.525 -4.534 1.00 0.00 H new ATOM 0 HA ILE A 52 2.147 6.135 -5.971 1.00 0.00 H new ATOM 0 HB ILE A 52 2.233 8.818 -4.531 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.718 6.331 -3.713 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.389 6.569 -3.239 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.218 8.811 -4.775 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.600 8.852 -6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.113 7.333 -5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.864 7.311 -1.475 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.785 8.689 -2.125 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.088 8.447 -2.606 1.00 0.00 H new ATOM 793 N PRO A 53 1.972 7.515 -8.069 1.00 0.00 N ATOM 794 CA PRO A 53 2.002 8.173 -9.378 1.00 0.00 C ATOM 795 C PRO A 53 1.453 9.596 -9.324 1.00 0.00 C ATOM 796 O PRO A 53 0.534 9.887 -8.560 1.00 0.00 O ATOM 797 CB PRO A 53 1.101 7.286 -10.241 1.00 0.00 C ATOM 798 CG PRO A 53 0.181 6.626 -9.274 1.00 0.00 C ATOM 799 CD PRO A 53 0.974 6.434 -8.012 1.00 0.00 C ATOM 0 HA PRO A 53 3.018 8.274 -9.761 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.549 7.876 -10.973 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.684 6.552 -10.797 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.700 7.241 -9.091 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.173 5.671 -9.662 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.345 6.514 -7.126 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.446 5.452 -7.980 1.00 0.00 H new ATOM 807 N ARG A 54 2.023 10.475 -10.140 1.00 0.00 N ATOM 808 CA ARG A 54 1.592 11.868 -10.184 1.00 0.00 C ATOM 809 C ARG A 54 0.106 11.967 -10.513 1.00 0.00 C ATOM 810 O ARG A 54 -0.486 11.061 -11.103 1.00 0.00 O ATOM 811 CB ARG A 54 2.407 12.644 -11.220 1.00 0.00 C ATOM 812 CG ARG A 54 3.800 13.020 -10.742 1.00 0.00 C ATOM 813 CD ARG A 54 4.603 13.698 -11.841 1.00 0.00 C ATOM 814 NE ARG A 54 6.040 13.636 -11.588 1.00 0.00 N ATOM 815 CZ ARG A 54 6.737 12.505 -11.587 1.00 0.00 C ATOM 816 NH1 ARG A 54 6.132 11.349 -11.825 1.00 0.00 N ATOM 817 NH2 ARG A 54 8.042 12.529 -11.349 1.00 0.00 N ATOM 0 H ARG A 54 2.784 10.248 -10.780 1.00 0.00 H new ATOM 0 HA ARG A 54 1.759 12.305 -9.199 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.493 12.044 -12.126 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.867 13.552 -11.489 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.723 13.686 -9.883 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.324 12.125 -10.406 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.383 13.222 -12.797 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.295 14.740 -11.925 1.00 0.00 H new ATOM 0 HE ARG A 54 6.535 14.508 -11.402 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.129 11.327 -12.009 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.670 10.482 -11.824 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.511 13.416 -11.167 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.576 11.660 -11.348 1.00 0.00 H new ATOM 831 N PRO A 55 -0.513 13.090 -10.123 1.00 0.00 N ATOM 832 CA PRO A 55 -1.939 13.334 -10.367 1.00 0.00 C ATOM 833 C PRO A 55 -2.245 13.560 -11.843 1.00 0.00 C ATOM 834 O PRO A 55 -3.404 13.543 -12.256 1.00 0.00 O ATOM 835 CB PRO A 55 -2.225 14.603 -9.560 1.00 0.00 C ATOM 836 CG PRO A 55 -0.909 15.297 -9.468 1.00 0.00 C ATOM 837 CD PRO A 55 0.129 14.210 -9.417 1.00 0.00 C ATOM 0 HA PRO A 55 -2.553 12.481 -10.078 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.969 15.228 -10.055 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -2.617 14.364 -8.571 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -0.750 15.948 -10.327 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.860 15.925 -8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.054 14.515 -9.906 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.383 13.945 -8.391 1.00 0.00 H new ATOM 845 N ASP A 56 -1.198 13.773 -12.634 1.00 0.00 N ATOM 846 CA ASP A 56 -1.356 14.001 -14.065 1.00 0.00 C ATOM 847 C ASP A 56 -1.130 12.713 -14.849 1.00 0.00 C ATOM 848 O ASP A 56 -1.628 12.557 -15.963 1.00 0.00 O ATOM 849 CB ASP A 56 -0.380 15.079 -14.541 1.00 0.00 C ATOM 850 CG ASP A 56 -0.676 15.545 -15.954 1.00 0.00 C ATOM 851 OD1 ASP A 56 -1.713 16.209 -16.154 1.00 0.00 O ATOM 852 OD2 ASP A 56 0.131 15.244 -16.858 1.00 0.00 O ATOM 0 H ASP A 56 -0.232 13.792 -12.308 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.377 14.339 -14.243 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.426 15.931 -13.863 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.637 14.690 -14.495 1.00 0.00 H new ATOM 857 N ASP A 57 -0.374 11.792 -14.260 1.00 0.00 N ATOM 858 CA ASP A 57 -0.081 10.517 -14.903 1.00 0.00 C ATOM 859 C ASP A 57 -1.272 9.569 -14.797 1.00 0.00 C ATOM 860 O ASP A 57 -1.958 9.507 -13.776 1.00 0.00 O ATOM 861 CB ASP A 57 1.155 9.874 -14.272 1.00 0.00 C ATOM 862 CG ASP A 57 1.930 9.021 -15.256 1.00 0.00 C ATOM 863 OD1 ASP A 57 2.647 9.595 -16.103 1.00 0.00 O ATOM 864 OD2 ASP A 57 1.819 7.779 -15.182 1.00 0.00 O ATOM 0 H ASP A 57 0.047 11.905 -13.338 1.00 0.00 H new ATOM 0 HA ASP A 57 0.117 10.708 -15.958 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.807 10.655 -13.880 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.849 9.260 -13.425 1.00 0.00 H new ATOM 869 N PRO A 58 -1.525 8.813 -15.875 1.00 0.00 N ATOM 870 CA PRO A 58 -2.634 7.854 -15.928 1.00 0.00 C ATOM 871 C PRO A 58 -2.405 6.653 -15.017 1.00 0.00 C ATOM 872 O PRO A 58 -3.237 5.749 -14.946 1.00 0.00 O ATOM 873 CB PRO A 58 -2.656 7.418 -17.394 1.00 0.00 C ATOM 874 CG PRO A 58 -1.263 7.636 -17.876 1.00 0.00 C ATOM 875 CD PRO A 58 -0.749 8.833 -17.126 1.00 0.00 C ATOM 0 HA PRO A 58 -3.571 8.294 -15.587 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.949 6.373 -17.492 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.371 8.005 -17.971 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.643 6.760 -17.686 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.245 7.812 -18.952 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.322 8.758 -16.936 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.910 9.756 -17.684 1.00 0.00 H new ATOM 883 N SER A 59 -1.272 6.650 -14.321 1.00 0.00 N ATOM 884 CA SER A 59 -0.933 5.557 -13.418 1.00 0.00 C ATOM 885 C SER A 59 -1.601 5.748 -12.060 1.00 0.00 C ATOM 886 O SER A 59 -1.376 6.749 -11.381 1.00 0.00 O ATOM 887 CB SER A 59 0.584 5.464 -13.244 1.00 0.00 C ATOM 888 OG SER A 59 1.192 4.866 -14.377 1.00 0.00 O ATOM 0 H SER A 59 -0.574 7.392 -14.366 1.00 0.00 H new ATOM 0 HA SER A 59 -1.299 4.629 -13.856 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.997 6.461 -13.089 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.816 4.881 -12.353 1.00 0.00 H new ATOM 0 HG SER A 59 1.560 5.564 -14.957 1.00 0.00 H new ATOM 894 N ASN A 60 -2.425 4.780 -11.671 1.00 0.00 N ATOM 895 CA ASN A 60 -3.127 4.841 -10.395 1.00 0.00 C ATOM 896 C ASN A 60 -2.784 3.634 -9.527 1.00 0.00 C ATOM 897 O ASN A 60 -3.527 3.286 -8.610 1.00 0.00 O ATOM 898 CB ASN A 60 -4.639 4.904 -10.623 1.00 0.00 C ATOM 899 CG ASN A 60 -5.169 3.672 -11.330 1.00 0.00 C ATOM 900 OD1 ASN A 60 -4.694 3.308 -12.406 1.00 0.00 O ATOM 901 ND2 ASN A 60 -6.159 3.024 -10.726 1.00 0.00 N ATOM 0 H ASN A 60 -2.623 3.944 -12.222 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.806 5.744 -9.876 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.144 5.014 -9.663 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.878 5.789 -11.213 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.557 2.188 -11.154 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.521 3.363 -9.835 1.00 0.00 H new ATOM 908 N GLN A 61 -1.652 3.003 -9.823 1.00 0.00 N ATOM 909 CA GLN A 61 -1.210 1.835 -9.069 1.00 0.00 C ATOM 910 C GLN A 61 -0.005 2.173 -8.199 1.00 0.00 C ATOM 911 O GLN A 61 1.031 2.612 -8.699 1.00 0.00 O ATOM 912 CB GLN A 61 -0.860 0.690 -10.022 1.00 0.00 C ATOM 913 CG GLN A 61 0.311 0.999 -10.940 1.00 0.00 C ATOM 914 CD GLN A 61 0.330 0.123 -12.177 1.00 0.00 C ATOM 915 OE1 GLN A 61 0.319 0.619 -13.304 1.00 0.00 O ATOM 916 NE2 GLN A 61 0.357 -1.189 -11.973 1.00 0.00 N ATOM 0 H GLN A 61 -1.025 3.280 -10.578 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.028 1.522 -8.420 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.627 -0.200 -9.437 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.734 0.453 -10.629 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.265 2.046 -11.241 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.243 0.866 -10.391 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.365 -1.557 -11.022 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.370 -1.829 -12.768 1.00 0.00 H new ATOM 925 N ILE A 62 -0.148 1.967 -6.893 1.00 0.00 N ATOM 926 CA ILE A 62 0.929 2.250 -5.953 1.00 0.00 C ATOM 927 C ILE A 62 2.015 1.182 -6.023 1.00 0.00 C ATOM 928 O ILE A 62 1.739 0.018 -6.317 1.00 0.00 O ATOM 929 CB ILE A 62 0.406 2.339 -4.508 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.343 3.657 -4.293 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.555 2.210 -3.519 1.00 0.00 C ATOM 932 CD1 ILE A 62 -1.080 3.725 -2.974 1.00 0.00 C ATOM 0 H ILE A 62 -0.999 1.605 -6.463 1.00 0.00 H new ATOM 0 HA ILE A 62 1.351 3.214 -6.238 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.288 1.516 -4.338 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.367 4.482 -4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.056 3.797 -5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.169 2.275 -2.502 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.049 1.249 -3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.272 3.014 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.587 4.686 -2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.815 2.921 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.370 3.617 -2.154 1.00 0.00 H new ATOM 944 N LYS A 63 3.252 1.585 -5.751 1.00 0.00 N ATOM 945 CA LYS A 63 4.381 0.663 -5.781 1.00 0.00 C ATOM 946 C LYS A 63 4.969 0.479 -4.385 1.00 0.00 C ATOM 947 O LYS A 63 5.211 1.452 -3.670 1.00 0.00 O ATOM 948 CB LYS A 63 5.460 1.175 -6.737 1.00 0.00 C ATOM 949 CG LYS A 63 6.716 0.321 -6.752 1.00 0.00 C ATOM 950 CD LYS A 63 7.452 0.435 -8.076 1.00 0.00 C ATOM 951 CE LYS A 63 8.207 -0.844 -8.406 1.00 0.00 C ATOM 952 NZ LYS A 63 7.309 -1.890 -8.969 1.00 0.00 N ATOM 0 H LYS A 63 3.498 2.544 -5.507 1.00 0.00 H new ATOM 0 HA LYS A 63 4.020 -0.303 -6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.049 1.219 -7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.727 2.194 -6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.376 0.628 -5.940 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.451 -0.721 -6.571 1.00 0.00 H new ATOM 0 HD2 LYS A 63 6.740 0.654 -8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.151 1.271 -8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.000 -0.623 -9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.687 -1.225 -7.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.862 -2.745 -9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.567 -2.120 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.870 -1.537 -9.843 1.00 0.00 H new ATOM 966 N ILE A 64 5.198 -0.773 -4.005 1.00 0.00 N ATOM 967 CA ILE A 64 5.760 -1.083 -2.696 1.00 0.00 C ATOM 968 C ILE A 64 6.981 -1.988 -2.822 1.00 0.00 C ATOM 969 O ILE A 64 6.876 -3.135 -3.257 1.00 0.00 O ATOM 970 CB ILE A 64 4.722 -1.765 -1.784 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.699 -2.533 -2.625 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.029 -0.734 -0.907 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.684 -3.290 -1.798 1.00 0.00 C ATOM 0 H ILE A 64 5.003 -1.589 -4.585 1.00 0.00 H new ATOM 0 HA ILE A 64 6.058 -0.135 -2.248 1.00 0.00 H new ATOM 0 HB ILE A 64 5.238 -2.474 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.176 -1.832 -3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.226 -3.235 -3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.299 -1.231 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.769 -0.228 -0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.522 -0.003 -1.536 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.991 -3.810 -2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.197 -4.015 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.131 -2.591 -1.171 1.00 0.00 H new ATOM 985 N THR A 65 8.140 -1.464 -2.438 1.00 0.00 N ATOM 986 CA THR A 65 9.382 -2.224 -2.507 1.00 0.00 C ATOM 987 C THR A 65 10.082 -2.258 -1.153 1.00 0.00 C ATOM 988 O THR A 65 10.141 -1.252 -0.448 1.00 0.00 O ATOM 989 CB THR A 65 10.345 -1.633 -3.555 1.00 0.00 C ATOM 990 OG1 THR A 65 9.635 -1.343 -4.765 1.00 0.00 O ATOM 991 CG2 THR A 65 11.484 -2.597 -3.848 1.00 0.00 C ATOM 0 H THR A 65 8.245 -0.516 -2.076 1.00 0.00 H new ATOM 0 HA THR A 65 9.115 -3.239 -2.801 1.00 0.00 H new ATOM 0 HB THR A 65 10.765 -0.712 -3.151 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.254 -0.966 -5.425 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.150 -2.158 -4.590 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.040 -2.792 -2.931 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.079 -3.533 -4.233 1.00 0.00 H new ATOM 999 N GLY A 66 10.614 -3.423 -0.797 1.00 0.00 N ATOM 1000 CA GLY A 66 11.304 -3.566 0.473 1.00 0.00 C ATOM 1001 C GLY A 66 11.442 -5.014 0.898 1.00 0.00 C ATOM 1002 O GLY A 66 11.683 -5.893 0.069 1.00 0.00 O ATOM 0 H GLY A 66 10.580 -4.270 -1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.294 -3.117 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.762 -3.015 1.242 1.00 0.00 H new ATOM 1006 N THR A 67 11.292 -5.267 2.194 1.00 0.00 N ATOM 1007 CA THR A 67 11.404 -6.618 2.729 1.00 0.00 C ATOM 1008 C THR A 67 10.108 -7.395 2.534 1.00 0.00 C ATOM 1009 O THR A 67 9.015 -6.854 2.706 1.00 0.00 O ATOM 1010 CB THR A 67 11.760 -6.602 4.227 1.00 0.00 C ATOM 1011 OG1 THR A 67 11.021 -5.574 4.895 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.251 -6.373 4.426 1.00 0.00 C ATOM 0 H THR A 67 11.092 -4.552 2.894 1.00 0.00 H new ATOM 0 HA THR A 67 12.206 -7.110 2.179 1.00 0.00 H new ATOM 0 HB THR A 67 11.497 -7.571 4.651 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.252 -5.572 5.847 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.479 -6.366 5.492 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.810 -7.173 3.941 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.534 -5.416 3.988 1.00 0.00 H new ATOM 1020 N LYS A 68 10.235 -8.668 2.176 1.00 0.00 N ATOM 1021 CA LYS A 68 9.072 -9.522 1.961 1.00 0.00 C ATOM 1022 C LYS A 68 8.024 -9.299 3.045 1.00 0.00 C ATOM 1023 O LYS A 68 6.824 -9.387 2.787 1.00 0.00 O ATOM 1024 CB LYS A 68 9.493 -10.994 1.938 1.00 0.00 C ATOM 1025 CG LYS A 68 8.575 -11.877 1.110 1.00 0.00 C ATOM 1026 CD LYS A 68 9.319 -13.069 0.533 1.00 0.00 C ATOM 1027 CE LYS A 68 9.906 -12.751 -0.834 1.00 0.00 C ATOM 1028 NZ LYS A 68 10.538 -13.947 -1.457 1.00 0.00 N ATOM 0 H LYS A 68 11.132 -9.132 2.028 1.00 0.00 H new ATOM 0 HA LYS A 68 8.633 -9.260 0.998 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.506 -11.067 1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.521 -11.371 2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.750 -12.227 1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 68 8.139 -11.292 0.300 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.118 -13.365 1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.640 -13.918 0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.120 -12.373 -1.488 1.00 0.00 H new ATOM 0 HE3 LYS A 68 10.647 -11.958 -0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 10.926 -13.690 -2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 11.305 -14.293 -0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.825 -14.695 -1.574 1.00 0.00 H new ATOM 1042 N GLU A 69 8.486 -9.008 4.257 1.00 0.00 N ATOM 1043 CA GLU A 69 7.585 -8.771 5.380 1.00 0.00 C ATOM 1044 C GLU A 69 7.090 -7.328 5.385 1.00 0.00 C ATOM 1045 O GLU A 69 5.946 -7.054 5.744 1.00 0.00 O ATOM 1046 CB GLU A 69 8.290 -9.084 6.702 1.00 0.00 C ATOM 1047 CG GLU A 69 8.518 -10.568 6.934 1.00 0.00 C ATOM 1048 CD GLU A 69 9.173 -10.856 8.270 1.00 0.00 C ATOM 1049 OE1 GLU A 69 10.420 -10.839 8.334 1.00 0.00 O ATOM 1050 OE2 GLU A 69 8.441 -11.098 9.252 1.00 0.00 O ATOM 0 H GLU A 69 9.477 -8.931 4.487 1.00 0.00 H new ATOM 0 HA GLU A 69 6.725 -9.432 5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.251 -8.570 6.722 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.697 -8.683 7.524 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.563 -11.091 6.882 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.143 -10.965 6.134 1.00 0.00 H new ATOM 1057 N GLY A 70 7.961 -6.408 4.982 1.00 0.00 N ATOM 1058 CA GLY A 70 7.594 -5.004 4.948 1.00 0.00 C ATOM 1059 C GLY A 70 6.524 -4.709 3.915 1.00 0.00 C ATOM 1060 O GLY A 70 5.500 -4.103 4.229 1.00 0.00 O ATOM 0 H GLY A 70 8.914 -6.610 4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.238 -4.701 5.932 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.479 -4.406 4.731 1.00 0.00 H new ATOM 1064 N ILE A 71 6.762 -5.137 2.680 1.00 0.00 N ATOM 1065 CA ILE A 71 5.811 -4.915 1.598 1.00 0.00 C ATOM 1066 C ILE A 71 4.433 -5.458 1.958 1.00 0.00 C ATOM 1067 O ILE A 71 3.424 -4.772 1.798 1.00 0.00 O ATOM 1068 CB ILE A 71 6.284 -5.574 0.289 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.633 -4.995 -0.141 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.246 -5.380 -0.806 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.233 -5.687 -1.344 1.00 0.00 C ATOM 0 H ILE A 71 7.605 -5.640 2.404 1.00 0.00 H new ATOM 0 HA ILE A 71 5.747 -3.837 1.450 1.00 0.00 H new ATOM 0 HB ILE A 71 6.407 -6.643 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.509 -3.936 -0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.331 -5.064 0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.594 -5.851 -1.725 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.304 -5.835 -0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.095 -4.315 -0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.188 -5.224 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.389 -6.742 -1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.555 -5.595 -2.192 1.00 0.00 H new ATOM 1083 N GLU A 72 4.399 -6.694 2.447 1.00 0.00 N ATOM 1084 CA GLU A 72 3.143 -7.329 2.831 1.00 0.00 C ATOM 1085 C GLU A 72 2.365 -6.450 3.806 1.00 0.00 C ATOM 1086 O GLU A 72 1.153 -6.276 3.674 1.00 0.00 O ATOM 1087 CB GLU A 72 3.409 -8.696 3.462 1.00 0.00 C ATOM 1088 CG GLU A 72 3.582 -9.812 2.445 1.00 0.00 C ATOM 1089 CD GLU A 72 3.424 -11.190 3.057 1.00 0.00 C ATOM 1090 OE1 GLU A 72 4.390 -11.677 3.682 1.00 0.00 O ATOM 1091 OE2 GLU A 72 2.334 -11.782 2.913 1.00 0.00 O ATOM 0 H GLU A 72 5.226 -7.275 2.587 1.00 0.00 H new ATOM 0 HA GLU A 72 2.543 -7.463 1.931 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.306 -8.634 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.583 -8.947 4.127 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.850 -9.687 1.647 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.569 -9.732 1.988 1.00 0.00 H new ATOM 1098 N LYS A 73 3.070 -5.896 4.786 1.00 0.00 N ATOM 1099 CA LYS A 73 2.449 -5.034 5.786 1.00 0.00 C ATOM 1100 C LYS A 73 1.769 -3.839 5.124 1.00 0.00 C ATOM 1101 O LYS A 73 0.588 -3.582 5.352 1.00 0.00 O ATOM 1102 CB LYS A 73 3.496 -4.548 6.791 1.00 0.00 C ATOM 1103 CG LYS A 73 3.797 -5.554 7.888 1.00 0.00 C ATOM 1104 CD LYS A 73 5.151 -5.292 8.527 1.00 0.00 C ATOM 1105 CE LYS A 73 5.241 -5.909 9.915 1.00 0.00 C ATOM 1106 NZ LYS A 73 4.440 -5.147 10.913 1.00 0.00 N ATOM 0 H LYS A 73 4.074 -6.029 4.910 1.00 0.00 H new ATOM 0 HA LYS A 73 1.692 -5.615 6.313 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.419 -4.316 6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.148 -3.620 7.245 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.019 -5.507 8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.778 -6.562 7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.939 -5.701 7.894 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.321 -4.217 8.594 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.889 -6.940 9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.283 -5.939 10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.708 -5.444 11.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.624 -4.129 10.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.428 -5.334 10.762 1.00 0.00 H new ATOM 1120 N ALA A 74 2.524 -3.113 4.306 1.00 0.00 N ATOM 1121 CA ALA A 74 1.993 -1.947 3.610 1.00 0.00 C ATOM 1122 C ALA A 74 0.893 -2.345 2.632 1.00 0.00 C ATOM 1123 O ALA A 74 -0.062 -1.598 2.420 1.00 0.00 O ATOM 1124 CB ALA A 74 3.109 -1.214 2.882 1.00 0.00 C ATOM 0 H ALA A 74 3.505 -3.312 4.109 1.00 0.00 H new ATOM 0 HA ALA A 74 1.558 -1.278 4.353 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.698 -0.346 2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.860 -0.887 3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.570 -1.883 2.155 1.00 0.00 H new ATOM 1130 N ARG A 75 1.034 -3.527 2.040 1.00 0.00 N ATOM 1131 CA ARG A 75 0.053 -4.023 1.082 1.00 0.00 C ATOM 1132 C ARG A 75 -1.265 -4.358 1.778 1.00 0.00 C ATOM 1133 O ARG A 75 -2.343 -4.137 1.227 1.00 0.00 O ATOM 1134 CB ARG A 75 0.591 -5.261 0.363 1.00 0.00 C ATOM 1135 CG ARG A 75 0.055 -5.427 -1.049 1.00 0.00 C ATOM 1136 CD ARG A 75 0.816 -6.500 -1.811 1.00 0.00 C ATOM 1137 NE ARG A 75 0.947 -7.732 -1.037 1.00 0.00 N ATOM 1138 CZ ARG A 75 1.320 -8.894 -1.562 1.00 0.00 C ATOM 1139 NH1 ARG A 75 1.598 -8.982 -2.856 1.00 0.00 N ATOM 1140 NH2 ARG A 75 1.416 -9.970 -0.793 1.00 0.00 N ATOM 0 H ARG A 75 1.818 -4.158 2.207 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.132 -3.238 0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.679 -5.204 0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.338 -6.147 0.945 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.003 -5.688 -1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.130 -4.479 -1.582 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.301 -6.713 -2.748 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.807 -6.127 -2.070 1.00 0.00 H new ATOM 0 HE ARG A 75 0.741 -7.698 -0.039 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.526 -8.156 -3.450 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.884 -9.875 -3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.203 -9.906 0.203 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.702 -10.862 -1.197 1.00 0.00 H new ATOM 1154 N HIS A 76 -1.168 -4.892 2.992 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.352 -5.256 3.762 1.00 0.00 C ATOM 1156 C HIS A 76 -3.086 -4.012 4.250 1.00 0.00 C ATOM 1157 O HIS A 76 -4.312 -4.006 4.356 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.961 -6.133 4.952 1.00 0.00 C ATOM 1159 CG HIS A 76 -3.109 -6.895 5.538 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.582 -8.074 5.000 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.879 -6.642 6.621 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.595 -8.511 5.727 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.795 -7.661 6.717 1.00 0.00 N ATOM 0 H HIS A 76 -0.283 -5.082 3.463 1.00 0.00 H new ATOM 0 HA HIS A 76 -3.021 -5.818 3.111 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.192 -6.838 4.636 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.520 -5.505 5.726 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.790 -5.796 7.286 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.163 -9.411 5.543 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -5.513 -7.747 7.436 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.328 -2.962 4.549 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.908 -1.713 5.029 1.00 0.00 C ATOM 1173 C GLU A 77 -3.530 -0.925 3.879 1.00 0.00 C ATOM 1174 O GLU A 77 -4.682 -0.499 3.955 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.843 -0.864 5.726 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.347 -1.462 7.032 1.00 0.00 C ATOM 1177 CD GLU A 77 -2.390 -1.410 8.131 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -3.391 -2.150 8.035 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -2.204 -0.628 9.087 1.00 0.00 O ATOM 0 H GLU A 77 -1.311 -2.951 4.467 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.692 -1.958 5.745 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.997 -0.732 5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.252 0.127 5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.053 -2.498 6.864 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.455 -0.926 7.357 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.757 -0.734 2.814 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.231 0.001 1.648 1.00 0.00 C ATOM 1188 C VAL A 78 -4.499 -0.627 1.079 1.00 0.00 C ATOM 1189 O VAL A 78 -5.406 0.076 0.633 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.159 0.055 0.544 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -2.123 -1.254 -0.230 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.412 1.228 -0.389 1.00 0.00 C ATOM 0 H VAL A 78 -1.800 -1.078 2.735 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.450 1.015 1.982 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.186 0.199 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.360 -1.197 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.889 -2.073 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.095 -1.432 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.644 1.250 -1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.392 1.119 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.381 2.158 0.179 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.555 -1.954 1.098 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.712 -2.679 0.586 1.00 0.00 C ATOM 1204 C LEU A 79 -6.894 -2.564 1.542 1.00 0.00 C ATOM 1205 O LEU A 79 -8.040 -2.415 1.117 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.360 -4.150 0.365 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.762 -4.500 -0.998 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -4.166 -5.899 -0.976 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.818 -4.386 -2.089 1.00 0.00 C ATOM 0 H LEU A 79 -3.812 -2.550 1.463 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.996 -2.233 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.654 -4.454 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.263 -4.744 0.507 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.964 -3.790 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.745 -6.131 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.380 -5.948 -0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.945 -6.623 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.375 -4.639 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.637 -5.072 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.199 -3.365 -2.121 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.608 -2.634 2.838 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.648 -2.535 3.857 1.00 0.00 C ATOM 1223 C LEU A 80 -8.360 -1.190 3.781 1.00 0.00 C ATOM 1224 O LEU A 80 -9.583 -1.116 3.907 1.00 0.00 O ATOM 1225 CB LEU A 80 -7.044 -2.728 5.250 1.00 0.00 C ATOM 1226 CG LEU A 80 -6.997 -4.166 5.769 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.162 -4.247 7.037 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.404 -4.688 6.019 1.00 0.00 C ATOM 0 H LEU A 80 -5.666 -2.759 3.208 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.379 -3.322 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.028 -2.333 5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.614 -2.126 5.958 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.529 -4.793 5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.139 -5.277 7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.146 -3.914 6.826 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.601 -3.608 7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.352 -5.712 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.899 -4.060 6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.971 -4.666 5.088 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.589 -0.128 3.571 1.00 0.00 N ATOM 1241 CA ILE A 81 -8.148 1.214 3.474 1.00 0.00 C ATOM 1242 C ILE A 81 -8.951 1.384 2.190 1.00 0.00 C ATOM 1243 O ILE A 81 -10.087 1.859 2.214 1.00 0.00 O ATOM 1244 CB ILE A 81 -7.043 2.288 3.520 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.301 2.229 4.857 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.640 3.670 3.300 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -4.857 2.670 4.766 1.00 0.00 C ATOM 0 H ILE A 81 -6.575 -0.172 3.465 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.808 1.344 4.332 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.329 2.090 2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.820 2.859 5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.338 1.209 5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.848 4.418 3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.129 3.704 2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.371 3.879 4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.393 2.603 5.750 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.323 2.025 4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.813 3.701 4.414 1.00 0.00 H new ATOM 1259 N SER A 82 -8.356 0.991 1.068 1.00 0.00 N ATOM 1260 CA SER A 82 -9.015 1.101 -0.227 1.00 0.00 C ATOM 1261 C SER A 82 -10.308 0.291 -0.249 1.00 0.00 C ATOM 1262 O SER A 82 -11.329 0.743 -0.768 1.00 0.00 O ATOM 1263 CB SER A 82 -8.081 0.623 -1.341 1.00 0.00 C ATOM 1264 OG SER A 82 -7.657 -0.710 -1.113 1.00 0.00 O ATOM 0 H SER A 82 -7.418 0.593 1.031 1.00 0.00 H new ATOM 0 HA SER A 82 -9.261 2.150 -0.394 1.00 0.00 H new ATOM 0 HB2 SER A 82 -8.593 0.686 -2.301 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.213 1.279 -1.399 1.00 0.00 H new ATOM 0 HG SER A 82 -7.833 -0.954 -0.180 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.256 -0.910 0.319 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.421 -1.784 0.366 1.00 0.00 C ATOM 1272 C ALA A 83 -12.588 -1.104 1.075 1.00 0.00 C ATOM 1273 O ALA A 83 -13.680 -0.986 0.520 1.00 0.00 O ATOM 1274 CB ALA A 83 -11.072 -3.093 1.058 1.00 0.00 C ATOM 0 H ALA A 83 -9.419 -1.299 0.753 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.726 -1.998 -0.659 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.952 -3.736 1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.274 -3.593 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.739 -2.889 2.076 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.350 -0.658 2.305 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.382 0.008 3.089 1.00 0.00 C ATOM 1282 C GLU A 84 -14.121 1.044 2.247 1.00 0.00 C ATOM 1283 O GLU A 84 -15.348 1.137 2.296 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.766 0.680 4.319 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.484 -0.282 5.460 1.00 0.00 C ATOM 1286 CD GLU A 84 -12.362 0.422 6.798 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -13.386 0.936 7.295 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -11.241 0.457 7.348 1.00 0.00 O ATOM 0 H GLU A 84 -11.451 -0.746 2.779 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.097 -0.747 3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.836 1.168 4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.440 1.461 4.671 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.284 -1.021 5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.562 -0.825 5.253 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.366 1.819 1.475 1.00 0.00 N ATOM 1296 CA GLN A 85 -13.950 2.849 0.624 1.00 0.00 C ATOM 1297 C GLN A 85 -15.012 2.256 -0.296 1.00 0.00 C ATOM 1298 O GLN A 85 -16.072 2.849 -0.499 1.00 0.00 O ATOM 1299 CB GLN A 85 -12.861 3.529 -0.208 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.775 4.184 0.631 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.337 5.106 1.697 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.401 5.700 1.521 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.622 5.228 2.809 1.00 0.00 N ATOM 0 H GLN A 85 -12.350 1.753 1.421 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.424 3.591 1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.404 2.790 -0.867 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.321 4.284 -0.846 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.172 3.410 1.106 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -11.110 4.751 -0.021 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.746 4.716 2.911 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.949 5.834 3.562 1.00 0.00 H new ATOM 1312 N ASP A 86 -14.721 1.085 -0.850 1.00 0.00 N ATOM 1313 CA ASP A 86 -15.652 0.412 -1.748 1.00 0.00 C ATOM 1314 C ASP A 86 -16.955 0.078 -1.030 1.00 0.00 C ATOM 1315 O ASP A 86 -18.032 0.109 -1.627 1.00 0.00 O ATOM 1316 CB ASP A 86 -15.022 -0.866 -2.308 1.00 0.00 C ATOM 1317 CG ASP A 86 -15.831 -1.460 -3.444 1.00 0.00 C ATOM 1318 OD1 ASP A 86 -16.209 -0.704 -4.363 1.00 0.00 O ATOM 1319 OD2 ASP A 86 -16.084 -2.682 -3.414 1.00 0.00 O ATOM 0 H ASP A 86 -13.848 0.582 -0.693 1.00 0.00 H new ATOM 0 HA ASP A 86 -15.875 1.089 -2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.014 -0.647 -2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.928 -1.602 -1.509 1.00 0.00 H new ATOM 1324 N LYS A 87 -16.852 -0.243 0.255 1.00 0.00 N ATOM 1325 CA LYS A 87 -18.020 -0.583 1.057 1.00 0.00 C ATOM 1326 C LYS A 87 -18.898 0.644 1.287 1.00 0.00 C ATOM 1327 O LYS A 87 -20.125 0.547 1.303 1.00 0.00 O ATOM 1328 CB LYS A 87 -17.589 -1.173 2.401 1.00 0.00 C ATOM 1329 CG LYS A 87 -18.679 -1.973 3.093 1.00 0.00 C ATOM 1330 CD LYS A 87 -18.530 -1.929 4.604 1.00 0.00 C ATOM 1331 CE LYS A 87 -19.287 -0.755 5.205 1.00 0.00 C ATOM 1332 NZ LYS A 87 -18.773 0.550 4.707 1.00 0.00 N ATOM 0 H LYS A 87 -15.969 -0.275 0.764 1.00 0.00 H new ATOM 0 HA LYS A 87 -18.600 -1.327 0.510 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.722 -1.815 2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -17.271 -0.364 3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -19.655 -1.579 2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -18.643 -3.008 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -18.899 -2.860 5.034 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.474 -1.854 4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -20.346 -0.844 4.964 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -19.204 -0.787 6.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.099 1.313 5.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.733 0.532 4.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -19.127 0.718 3.744 1.00 0.00 H new ATOM 1346 N ARG A 88 -18.261 1.798 1.463 1.00 0.00 N ATOM 1347 CA ARG A 88 -18.983 3.042 1.690 1.00 0.00 C ATOM 1348 C ARG A 88 -20.184 3.154 0.754 1.00 0.00 C ATOM 1349 O ARG A 88 -21.303 3.421 1.193 1.00 0.00 O ATOM 1350 CB ARG A 88 -18.054 4.241 1.491 1.00 0.00 C ATOM 1351 CG ARG A 88 -16.835 4.224 2.398 1.00 0.00 C ATOM 1352 CD ARG A 88 -17.116 4.917 3.721 1.00 0.00 C ATOM 1353 NE ARG A 88 -17.402 6.339 3.545 1.00 0.00 N ATOM 1354 CZ ARG A 88 -17.338 7.229 4.529 1.00 0.00 C ATOM 1355 NH1 ARG A 88 -17.000 6.846 5.753 1.00 0.00 N ATOM 1356 NH2 ARG A 88 -17.612 8.504 4.291 1.00 0.00 N ATOM 0 H ARG A 88 -17.246 1.896 1.452 1.00 0.00 H new ATOM 0 HA ARG A 88 -19.345 3.039 2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -17.723 4.265 0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -18.615 5.158 1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -16.532 3.193 2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.001 4.717 1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.963 4.435 4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -16.257 4.799 4.381 1.00 0.00 H new ATOM 0 HE ARG A 88 -17.665 6.666 2.615 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.788 5.866 5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.952 7.531 6.507 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.872 8.803 3.351 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.562 9.186 5.048 1.00 0.00 H new ATOM 1370 N SER A 89 -19.942 2.947 -0.537 1.00 0.00 N ATOM 1371 CA SER A 89 -21.001 3.029 -1.535 1.00 0.00 C ATOM 1372 C SER A 89 -20.745 2.053 -2.680 1.00 0.00 C ATOM 1373 O SER A 89 -19.792 2.212 -3.443 1.00 0.00 O ATOM 1374 CB SER A 89 -21.110 4.454 -2.079 1.00 0.00 C ATOM 1375 OG SER A 89 -19.983 4.785 -2.871 1.00 0.00 O ATOM 0 H SER A 89 -19.022 2.721 -0.915 1.00 0.00 H new ATOM 0 HA SER A 89 -21.941 2.759 -1.054 1.00 0.00 H new ATOM 0 HB2 SER A 89 -22.018 4.551 -2.674 1.00 0.00 H new ATOM 0 HB3 SER A 89 -21.195 5.157 -1.251 1.00 0.00 H new ATOM 0 HG SER A 89 -19.543 3.963 -3.174 1.00 0.00 H new ATOM 1381 N GLY A 90 -21.603 1.044 -2.794 1.00 0.00 N ATOM 1382 CA GLY A 90 -21.453 0.058 -3.847 1.00 0.00 C ATOM 1383 C GLY A 90 -22.785 -0.466 -4.345 1.00 0.00 C ATOM 1384 O GLY A 90 -23.821 0.185 -4.209 1.00 0.00 O ATOM 0 H GLY A 90 -22.400 0.892 -2.175 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -20.906 0.501 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -20.854 -0.774 -3.478 1.00 0.00 H new ATOM 1388 N PRO A 91 -22.768 -1.667 -4.941 1.00 0.00 N ATOM 1389 CA PRO A 91 -23.976 -2.304 -5.475 1.00 0.00 C ATOM 1390 C PRO A 91 -24.929 -2.754 -4.373 1.00 0.00 C ATOM 1391 O PRO A 91 -24.806 -3.859 -3.845 1.00 0.00 O ATOM 1392 CB PRO A 91 -23.432 -3.513 -6.239 1.00 0.00 C ATOM 1393 CG PRO A 91 -22.129 -3.820 -5.583 1.00 0.00 C ATOM 1394 CD PRO A 91 -21.569 -2.498 -5.137 1.00 0.00 C ATOM 0 HA PRO A 91 -24.558 -1.620 -6.092 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -24.115 -4.360 -6.178 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -23.299 -3.286 -7.297 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -22.267 -4.491 -4.735 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -21.451 -4.317 -6.276 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -20.993 -2.596 -4.217 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -20.902 -2.071 -5.886 1.00 0.00 H new ATOM 1402 N SER A 92 -25.881 -1.890 -4.031 1.00 0.00 N ATOM 1403 CA SER A 92 -26.853 -2.198 -2.989 1.00 0.00 C ATOM 1404 C SER A 92 -26.193 -2.940 -1.831 1.00 0.00 C ATOM 1405 O SER A 92 -26.757 -3.887 -1.285 1.00 0.00 O ATOM 1406 CB SER A 92 -27.997 -3.038 -3.562 1.00 0.00 C ATOM 1407 OG SER A 92 -28.700 -2.326 -4.564 1.00 0.00 O ATOM 0 H SER A 92 -25.999 -0.972 -4.460 1.00 0.00 H new ATOM 0 HA SER A 92 -27.255 -1.257 -2.612 1.00 0.00 H new ATOM 0 HB2 SER A 92 -27.599 -3.963 -3.980 1.00 0.00 H new ATOM 0 HB3 SER A 92 -28.682 -3.318 -2.762 1.00 0.00 H new ATOM 0 HG SER A 92 -29.424 -2.885 -4.915 1.00 0.00 H new ATOM 1413 N SER A 93 -24.993 -2.501 -1.464 1.00 0.00 N ATOM 1414 CA SER A 93 -24.253 -3.126 -0.373 1.00 0.00 C ATOM 1415 C SER A 93 -24.299 -2.258 0.881 1.00 0.00 C ATOM 1416 O SER A 93 -24.153 -1.040 0.813 1.00 0.00 O ATOM 1417 CB SER A 93 -22.800 -3.366 -0.787 1.00 0.00 C ATOM 1418 OG SER A 93 -22.035 -2.177 -0.677 1.00 0.00 O ATOM 0 H SER A 93 -24.513 -1.716 -1.905 1.00 0.00 H new ATOM 0 HA SER A 93 -24.723 -4.084 -0.149 1.00 0.00 H new ATOM 0 HB2 SER A 93 -22.363 -4.143 -0.159 1.00 0.00 H new ATOM 0 HB3 SER A 93 -22.767 -3.730 -1.814 1.00 0.00 H new ATOM 0 HG SER A 93 -21.110 -2.357 -0.946 1.00 0.00 H new ATOM 1424 N GLY A 94 -24.506 -2.899 2.028 1.00 0.00 N ATOM 1425 CA GLY A 94 -24.568 -2.172 3.283 1.00 0.00 C ATOM 1426 C GLY A 94 -23.381 -2.460 4.180 1.00 0.00 C ATOM 1427 O GLY A 94 -23.032 -3.618 4.407 1.00 0.00 O ATOM 0 H GLY A 94 -24.632 -3.908 2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -24.613 -1.102 3.078 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -25.487 -2.435 3.807 1.00 0.00 H new TER 1431 GLY A 94