USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 427 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 15 CYS SG : rot -155:sc= -2.27 USER MOD Set 1.2: A 18 HIS : no HD1:sc= -5.02! C(o=-15!,f=-18!) USER MOD Set 1.3: A 34 CYS SG : rot 172:sc= -2.55 USER MOD Set 1.4: A 37 CYS SG : rot -46:sc= -5.11! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 177:sc= 0.111 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -152:sc= -0.0738 (180deg=-0.97) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.06 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.277 K(o=-0.28,f=-2.4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= -0.113 (180deg=-0.113) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -30.104 -10.010 -13.231 1.00 0.00 N ATOM 2 CA ALA A 2 -29.143 -8.927 -13.562 1.00 0.00 C ATOM 3 C ALA A 2 -29.089 -8.683 -15.065 1.00 0.00 C ATOM 4 O ALA A 2 -28.181 -9.158 -15.748 1.00 0.00 O ATOM 5 CB ALA A 2 -27.759 -9.270 -13.033 1.00 0.00 C ATOM 0 HA ALA A 2 -29.487 -8.011 -13.083 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -27.065 -8.468 -13.283 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -27.802 -9.388 -11.950 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -27.416 -10.200 -13.486 1.00 0.00 H new ATOM 10 N SER A 3 -30.066 -7.940 -15.576 1.00 0.00 N ATOM 11 CA SER A 3 -30.127 -7.634 -17.000 1.00 0.00 C ATOM 12 C SER A 3 -29.025 -6.655 -17.392 1.00 0.00 C ATOM 13 O SER A 3 -28.371 -6.821 -18.423 1.00 0.00 O ATOM 14 CB SER A 3 -31.494 -7.050 -17.360 1.00 0.00 C ATOM 15 OG SER A 3 -32.503 -8.044 -17.308 1.00 0.00 O ATOM 0 H SER A 3 -30.825 -7.539 -15.025 1.00 0.00 H new ATOM 0 HA SER A 3 -29.979 -8.562 -17.552 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.740 -6.241 -16.672 1.00 0.00 H new ATOM 0 HB3 SER A 3 -31.456 -6.618 -18.360 1.00 0.00 H new ATOM 0 HG SER A 3 -33.367 -7.645 -17.540 1.00 0.00 H new ATOM 21 N THR A 4 -28.823 -5.636 -16.564 1.00 0.00 N ATOM 22 CA THR A 4 -27.799 -4.630 -16.822 1.00 0.00 C ATOM 23 C THR A 4 -26.839 -4.516 -15.643 1.00 0.00 C ATOM 24 O THR A 4 -26.295 -3.445 -15.375 1.00 0.00 O ATOM 25 CB THR A 4 -28.446 -3.273 -17.103 1.00 0.00 C ATOM 26 OG1 THR A 4 -29.310 -2.900 -16.045 1.00 0.00 O ATOM 27 CG2 THR A 4 -29.252 -3.247 -18.384 1.00 0.00 C ATOM 0 H THR A 4 -29.356 -5.485 -15.707 1.00 0.00 H new ATOM 0 HA THR A 4 -27.232 -4.942 -17.699 1.00 0.00 H new ATOM 0 HB THR A 4 -27.616 -2.573 -17.201 1.00 0.00 H new ATOM 0 HG1 THR A 4 -29.712 -2.029 -16.243 1.00 0.00 H new ATOM 0 HG21 THR A 4 -29.683 -2.256 -18.523 1.00 0.00 H new ATOM 0 HG22 THR A 4 -28.602 -3.481 -19.227 1.00 0.00 H new ATOM 0 HG23 THR A 4 -30.052 -3.985 -18.326 1.00 0.00 H new ATOM 35 N SER A 5 -26.636 -5.627 -14.943 1.00 0.00 N ATOM 36 CA SER A 5 -25.740 -5.653 -13.793 1.00 0.00 C ATOM 37 C SER A 5 -24.385 -6.239 -14.174 1.00 0.00 C ATOM 38 O SER A 5 -24.308 -7.235 -14.892 1.00 0.00 O ATOM 39 CB SER A 5 -26.359 -6.465 -12.655 1.00 0.00 C ATOM 40 OG SER A 5 -26.111 -5.858 -11.398 1.00 0.00 O ATOM 0 H SER A 5 -27.080 -6.521 -15.152 1.00 0.00 H new ATOM 0 HA SER A 5 -25.591 -4.627 -13.457 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.434 -6.556 -12.812 1.00 0.00 H new ATOM 0 HB3 SER A 5 -25.950 -7.475 -12.661 1.00 0.00 H new ATOM 0 HG SER A 5 -26.519 -6.397 -10.688 1.00 0.00 H new ATOM 46 N ARG A 6 -23.317 -5.614 -13.687 1.00 0.00 N ATOM 47 CA ARG A 6 -21.965 -6.076 -13.979 1.00 0.00 C ATOM 48 C ARG A 6 -21.356 -6.776 -12.768 1.00 0.00 C ATOM 49 O ARG A 6 -21.601 -6.390 -11.625 1.00 0.00 O ATOM 50 CB ARG A 6 -21.083 -4.899 -14.404 1.00 0.00 C ATOM 51 CG ARG A 6 -20.785 -4.870 -15.894 1.00 0.00 C ATOM 52 CD ARG A 6 -19.882 -6.021 -16.307 1.00 0.00 C ATOM 53 NE ARG A 6 -20.527 -6.905 -17.275 1.00 0.00 N ATOM 54 CZ ARG A 6 -20.824 -6.547 -18.523 1.00 0.00 C ATOM 55 NH1 ARG A 6 -20.538 -5.325 -18.956 1.00 0.00 N ATOM 56 NH2 ARG A 6 -21.411 -7.412 -19.338 1.00 0.00 N ATOM 0 H ARG A 6 -23.362 -4.788 -13.090 1.00 0.00 H new ATOM 0 HA ARG A 6 -22.020 -6.793 -14.798 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -21.574 -3.967 -14.122 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -20.143 -4.943 -13.855 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -21.719 -4.921 -16.453 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -20.310 -3.924 -16.152 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -18.962 -5.624 -16.736 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -19.600 -6.595 -15.424 1.00 0.00 H new ATOM 0 HE ARG A 6 -20.764 -7.852 -16.978 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -20.089 -4.655 -18.332 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -20.768 -5.056 -19.913 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -21.635 -8.351 -19.009 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -21.639 -7.138 -20.294 1.00 0.00 H new ATOM 70 N LEU A 7 -20.560 -7.809 -13.028 1.00 0.00 N ATOM 71 CA LEU A 7 -19.915 -8.566 -11.961 1.00 0.00 C ATOM 72 C LEU A 7 -18.994 -7.668 -11.139 1.00 0.00 C ATOM 73 O LEU A 7 -18.503 -6.652 -11.628 1.00 0.00 O ATOM 74 CB LEU A 7 -19.123 -9.739 -12.546 1.00 0.00 C ATOM 75 CG LEU A 7 -19.547 -11.120 -12.043 1.00 0.00 C ATOM 76 CD1 LEU A 7 -19.457 -12.147 -13.162 1.00 0.00 C ATOM 77 CD2 LEU A 7 -18.689 -11.541 -10.861 1.00 0.00 C ATOM 0 H LEU A 7 -20.346 -8.141 -13.969 1.00 0.00 H new ATOM 0 HA LEU A 7 -20.691 -8.957 -11.303 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -19.221 -9.718 -13.631 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -18.067 -9.594 -12.318 1.00 0.00 H new ATOM 0 HG LEU A 7 -20.584 -11.063 -11.713 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -19.762 -13.123 -12.785 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -20.114 -11.852 -13.980 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -18.430 -12.203 -13.523 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -19.004 -12.526 -10.515 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -17.643 -11.581 -11.166 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.804 -10.819 -10.053 1.00 0.00 H new ATOM 89 N ASP A 8 -18.766 -8.052 -9.886 1.00 0.00 N ATOM 90 CA ASP A 8 -17.904 -7.282 -8.996 1.00 0.00 C ATOM 91 C ASP A 8 -16.426 -7.548 -9.279 1.00 0.00 C ATOM 92 O ASP A 8 -15.552 -6.936 -8.667 1.00 0.00 O ATOM 93 CB ASP A 8 -18.221 -7.614 -7.537 1.00 0.00 C ATOM 94 CG ASP A 8 -18.205 -9.106 -7.266 1.00 0.00 C ATOM 95 OD1 ASP A 8 -17.103 -9.665 -7.090 1.00 0.00 O ATOM 96 OD2 ASP A 8 -19.295 -9.714 -7.230 1.00 0.00 O ATOM 0 H ASP A 8 -19.166 -8.891 -9.465 1.00 0.00 H new ATOM 0 HA ASP A 8 -18.098 -6.225 -9.178 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -17.495 -7.122 -6.890 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.201 -7.212 -7.280 1.00 0.00 H new ATOM 101 N ALA A 9 -16.151 -8.462 -10.208 1.00 0.00 N ATOM 102 CA ALA A 9 -14.776 -8.797 -10.561 1.00 0.00 C ATOM 103 C ALA A 9 -14.146 -7.701 -11.412 1.00 0.00 C ATOM 104 O ALA A 9 -14.445 -7.572 -12.600 1.00 0.00 O ATOM 105 CB ALA A 9 -14.728 -10.129 -11.294 1.00 0.00 C ATOM 0 H ALA A 9 -16.860 -8.981 -10.727 1.00 0.00 H new ATOM 0 HA ALA A 9 -14.201 -8.882 -9.639 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -13.696 -10.366 -11.551 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.131 -10.912 -10.652 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.323 -10.065 -12.205 1.00 0.00 H new ATOM 111 N LEU A 10 -13.270 -6.912 -10.798 1.00 0.00 N ATOM 112 CA LEU A 10 -12.594 -5.826 -11.496 1.00 0.00 C ATOM 113 C LEU A 10 -11.595 -5.129 -10.573 1.00 0.00 C ATOM 114 O LEU A 10 -10.391 -5.137 -10.831 1.00 0.00 O ATOM 115 CB LEU A 10 -13.615 -4.818 -12.032 1.00 0.00 C ATOM 116 CG LEU A 10 -13.727 -4.761 -13.557 1.00 0.00 C ATOM 117 CD1 LEU A 10 -14.685 -3.658 -13.980 1.00 0.00 C ATOM 118 CD2 LEU A 10 -12.358 -4.548 -14.184 1.00 0.00 C ATOM 0 H LEU A 10 -13.012 -7.006 -9.816 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.046 -6.250 -12.338 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.594 -5.061 -11.619 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.352 -3.826 -11.665 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.122 -5.714 -13.909 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.752 -3.632 -15.068 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.672 -3.852 -13.560 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.318 -2.698 -13.616 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.457 -4.510 -15.269 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.935 -3.610 -13.825 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.699 -5.372 -13.908 1.00 0.00 H new ATOM 130 N PRO A 11 -12.081 -4.519 -9.476 1.00 0.00 N ATOM 131 CA PRO A 11 -11.219 -3.823 -8.515 1.00 0.00 C ATOM 132 C PRO A 11 -10.301 -4.786 -7.771 1.00 0.00 C ATOM 133 O PRO A 11 -9.207 -4.415 -7.346 1.00 0.00 O ATOM 134 CB PRO A 11 -12.210 -3.173 -7.545 1.00 0.00 C ATOM 135 CG PRO A 11 -13.447 -3.993 -7.658 1.00 0.00 C ATOM 136 CD PRO A 11 -13.502 -4.464 -9.084 1.00 0.00 C ATOM 0 HA PRO A 11 -10.556 -3.109 -9.003 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.825 -3.176 -6.525 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.399 -2.133 -7.811 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.420 -4.837 -6.969 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.330 -3.405 -7.407 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -13.981 -5.440 -9.168 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.067 -3.777 -9.714 1.00 0.00 H new ATOM 144 N ARG A 12 -10.754 -6.027 -7.622 1.00 0.00 N ATOM 145 CA ARG A 12 -9.976 -7.051 -6.933 1.00 0.00 C ATOM 146 C ARG A 12 -9.758 -6.680 -5.470 1.00 0.00 C ATOM 147 O ARG A 12 -9.559 -5.511 -5.138 1.00 0.00 O ATOM 148 CB ARG A 12 -8.625 -7.252 -7.626 1.00 0.00 C ATOM 149 CG ARG A 12 -8.687 -7.136 -9.141 1.00 0.00 C ATOM 150 CD ARG A 12 -9.714 -8.087 -9.738 1.00 0.00 C ATOM 151 NE ARG A 12 -9.093 -9.297 -10.272 1.00 0.00 N ATOM 152 CZ ARG A 12 -8.833 -10.383 -9.547 1.00 0.00 C ATOM 153 NH1 ARG A 12 -9.135 -10.418 -8.254 1.00 0.00 N ATOM 154 NH2 ARG A 12 -8.269 -11.439 -10.117 1.00 0.00 N ATOM 0 H ARG A 12 -11.657 -6.348 -7.970 1.00 0.00 H new ATOM 0 HA ARG A 12 -10.539 -7.983 -6.973 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.918 -6.516 -7.244 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.235 -8.235 -7.362 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.936 -6.111 -9.417 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.705 -7.350 -9.563 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.443 -8.360 -8.975 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.260 -7.579 -10.533 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.843 -9.311 -11.261 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.569 -9.609 -7.810 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.933 -11.254 -7.705 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.035 -11.419 -11.110 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.069 -12.272 -9.563 1.00 0.00 H new ATOM 168 N VAL A 13 -9.791 -7.685 -4.601 1.00 0.00 N ATOM 169 CA VAL A 13 -9.592 -7.466 -3.172 1.00 0.00 C ATOM 170 C VAL A 13 -8.303 -8.134 -2.695 1.00 0.00 C ATOM 171 O VAL A 13 -7.257 -7.490 -2.611 1.00 0.00 O ATOM 172 CB VAL A 13 -10.783 -7.988 -2.333 1.00 0.00 C ATOM 173 CG1 VAL A 13 -11.737 -6.851 -1.998 1.00 0.00 C ATOM 174 CG2 VAL A 13 -11.520 -9.108 -3.060 1.00 0.00 C ATOM 0 H VAL A 13 -9.953 -8.658 -4.860 1.00 0.00 H new ATOM 0 HA VAL A 13 -9.519 -6.388 -3.026 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.386 -8.396 -1.403 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -12.569 -7.236 -1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.208 -6.089 -1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.119 -6.413 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -12.351 -9.455 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.901 -8.735 -4.011 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.835 -9.936 -3.243 1.00 0.00 H new ATOM 184 N THR A 14 -8.380 -9.426 -2.386 1.00 0.00 N ATOM 185 CA THR A 14 -7.227 -10.187 -1.921 1.00 0.00 C ATOM 186 C THR A 14 -6.467 -10.784 -3.104 1.00 0.00 C ATOM 187 O THR A 14 -6.541 -10.273 -4.221 1.00 0.00 O ATOM 188 CB THR A 14 -7.720 -11.305 -0.997 1.00 0.00 C ATOM 189 OG1 THR A 14 -8.958 -10.958 -0.404 1.00 0.00 O ATOM 190 CG2 THR A 14 -6.760 -11.634 0.116 1.00 0.00 C ATOM 0 H THR A 14 -9.240 -9.971 -2.451 1.00 0.00 H new ATOM 0 HA THR A 14 -6.549 -9.527 -1.380 1.00 0.00 H new ATOM 0 HB THR A 14 -7.818 -12.180 -1.639 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.283 -11.707 0.137 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.175 -12.434 0.730 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.809 -11.957 -0.307 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.600 -10.749 0.732 1.00 0.00 H new ATOM 198 N CYS A 15 -5.754 -11.881 -2.860 1.00 0.00 N ATOM 199 CA CYS A 15 -5.004 -12.557 -3.911 1.00 0.00 C ATOM 200 C CYS A 15 -5.956 -13.171 -4.933 1.00 0.00 C ATOM 201 O CYS A 15 -6.974 -13.756 -4.564 1.00 0.00 O ATOM 202 CB CYS A 15 -4.146 -13.660 -3.303 1.00 0.00 C ATOM 203 SG CYS A 15 -3.051 -14.494 -4.474 1.00 0.00 S ATOM 0 H CYS A 15 -5.681 -12.320 -1.942 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.368 -11.825 -4.409 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.542 -13.233 -2.502 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.801 -14.402 -2.847 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.782 -15.690 -4.040 1.00 0.00 H new ATOM 209 N PRO A 16 -5.637 -13.068 -6.233 1.00 0.00 N ATOM 210 CA PRO A 16 -6.476 -13.639 -7.290 1.00 0.00 C ATOM 211 C PRO A 16 -6.632 -15.150 -7.141 1.00 0.00 C ATOM 212 O PRO A 16 -7.586 -15.738 -7.649 1.00 0.00 O ATOM 213 CB PRO A 16 -5.719 -13.302 -8.581 1.00 0.00 C ATOM 214 CG PRO A 16 -4.323 -13.014 -8.147 1.00 0.00 C ATOM 215 CD PRO A 16 -4.442 -12.405 -6.781 1.00 0.00 C ATOM 0 HA PRO A 16 -7.490 -13.239 -7.266 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.750 -14.134 -9.285 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -6.161 -12.442 -9.084 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -3.725 -13.925 -8.119 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.831 -12.331 -8.839 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.558 -12.598 -6.173 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.566 -11.323 -6.830 1.00 0.00 H new ATOM 223 N ASN A 17 -5.689 -15.774 -6.439 1.00 0.00 N ATOM 224 CA ASN A 17 -5.722 -17.216 -6.223 1.00 0.00 C ATOM 225 C ASN A 17 -5.807 -17.554 -4.734 1.00 0.00 C ATOM 226 O ASN A 17 -6.025 -18.708 -4.366 1.00 0.00 O ATOM 227 CB ASN A 17 -4.484 -17.873 -6.838 1.00 0.00 C ATOM 228 CG ASN A 17 -4.797 -18.602 -8.130 1.00 0.00 C ATOM 229 OD1 ASN A 17 -4.475 -18.125 -9.219 1.00 0.00 O ATOM 230 ND2 ASN A 17 -5.430 -19.763 -8.017 1.00 0.00 N ATOM 0 H ASN A 17 -4.893 -15.302 -6.010 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.615 -17.606 -6.711 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.728 -17.111 -7.028 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.056 -18.575 -6.123 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.669 -20.297 -8.853 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.678 -20.121 -7.095 1.00 0.00 H new ATOM 237 N HIS A 18 -5.650 -16.546 -3.878 1.00 0.00 N ATOM 238 CA HIS A 18 -5.729 -16.756 -2.438 1.00 0.00 C ATOM 239 C HIS A 18 -6.679 -15.750 -1.791 1.00 0.00 C ATOM 240 O HIS A 18 -6.259 -14.677 -1.357 1.00 0.00 O ATOM 241 CB HIS A 18 -4.356 -16.640 -1.775 1.00 0.00 C ATOM 242 CG HIS A 18 -3.371 -17.700 -2.161 1.00 0.00 C ATOM 243 ND1 HIS A 18 -2.150 -17.410 -2.730 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.400 -19.043 -2.000 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.466 -18.526 -2.897 1.00 0.00 C ATOM 246 NE2 HIS A 18 -2.203 -19.533 -2.463 1.00 0.00 N ATOM 0 H HIS A 18 -5.468 -15.582 -4.157 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.109 -17.767 -2.287 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.933 -15.666 -2.021 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.489 -16.666 -0.693 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.212 -19.622 -1.585 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.474 -18.603 -3.317 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -1.928 -20.515 -2.470 1.00 0.00 H new ATOM 255 N PRO A 19 -7.975 -16.084 -1.703 1.00 0.00 N ATOM 256 CA PRO A 19 -8.970 -15.199 -1.095 1.00 0.00 C ATOM 257 C PRO A 19 -8.635 -14.885 0.359 1.00 0.00 C ATOM 258 O PRO A 19 -8.853 -13.769 0.830 1.00 0.00 O ATOM 259 CB PRO A 19 -10.279 -15.994 -1.186 1.00 0.00 C ATOM 260 CG PRO A 19 -9.870 -17.407 -1.427 1.00 0.00 C ATOM 261 CD PRO A 19 -8.570 -17.343 -2.175 1.00 0.00 C ATOM 0 HA PRO A 19 -9.019 -14.234 -1.599 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.858 -15.904 -0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.908 -15.624 -1.996 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.752 -17.944 -0.486 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.626 -17.938 -2.005 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.933 -18.199 -1.951 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.726 -17.336 -3.254 1.00 0.00 H new ATOM 269 N ASP A 20 -8.109 -15.880 1.067 1.00 0.00 N ATOM 270 CA ASP A 20 -7.749 -15.716 2.470 1.00 0.00 C ATOM 271 C ASP A 20 -6.397 -15.020 2.625 1.00 0.00 C ATOM 272 O ASP A 20 -6.180 -14.275 3.582 1.00 0.00 O ATOM 273 CB ASP A 20 -7.717 -17.078 3.170 1.00 0.00 C ATOM 274 CG ASP A 20 -8.746 -17.184 4.279 1.00 0.00 C ATOM 275 OD1 ASP A 20 -9.886 -16.715 4.078 1.00 0.00 O ATOM 276 OD2 ASP A 20 -8.412 -17.736 5.348 1.00 0.00 O ATOM 0 H ASP A 20 -7.923 -16.810 0.691 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.507 -15.087 2.935 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.895 -17.864 2.437 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.723 -17.247 3.584 1.00 0.00 H new ATOM 281 N ALA A 21 -5.490 -15.265 1.684 1.00 0.00 N ATOM 282 CA ALA A 21 -4.162 -14.662 1.724 1.00 0.00 C ATOM 283 C ALA A 21 -4.229 -13.170 1.410 1.00 0.00 C ATOM 284 O ALA A 21 -4.163 -12.759 0.251 1.00 0.00 O ATOM 285 CB ALA A 21 -3.243 -15.379 0.758 1.00 0.00 C ATOM 0 H ALA A 21 -5.651 -15.877 0.884 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.761 -14.767 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.253 -14.924 0.792 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.170 -16.430 1.038 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.644 -15.300 -0.252 1.00 0.00 H new ATOM 291 N ILE A 22 -4.409 -12.387 2.466 1.00 0.00 N ATOM 292 CA ILE A 22 -4.546 -10.935 2.355 1.00 0.00 C ATOM 293 C ILE A 22 -3.254 -10.218 1.973 1.00 0.00 C ATOM 294 O ILE A 22 -2.587 -9.634 2.829 1.00 0.00 O ATOM 295 CB ILE A 22 -5.087 -10.314 3.659 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.193 -11.181 4.271 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.604 -8.913 3.387 1.00 0.00 C ATOM 298 CD1 ILE A 22 -7.418 -11.314 3.393 1.00 0.00 C ATOM 0 H ILE A 22 -4.464 -12.737 3.423 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.259 -10.790 1.543 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.269 -10.262 4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.793 -12.174 4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.488 -10.754 5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.985 -8.480 4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.793 -8.294 3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.406 -8.958 2.650 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.157 -11.941 3.892 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.844 -10.327 3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.137 -11.770 2.443 1.00 0.00 H new ATOM 310 N LEU A 23 -2.920 -10.257 0.676 1.00 0.00 N ATOM 311 CA LEU A 23 -1.716 -9.590 0.164 1.00 0.00 C ATOM 312 C LEU A 23 -1.351 -8.409 1.051 1.00 0.00 C ATOM 313 O LEU A 23 -2.033 -7.389 1.063 1.00 0.00 O ATOM 314 CB LEU A 23 -1.910 -9.098 -1.269 1.00 0.00 C ATOM 315 CG LEU A 23 -1.381 -10.030 -2.351 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.438 -11.062 -2.680 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.971 -9.232 -3.584 1.00 0.00 C ATOM 0 H LEU A 23 -3.466 -10.742 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.910 -10.324 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.974 -8.936 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.419 -8.130 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.493 -10.548 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.064 -11.732 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.675 -11.638 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.337 -10.560 -3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.595 -9.912 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.835 -8.692 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.190 -8.521 -3.314 1.00 0.00 H new ATOM 329 N VAL A 24 -0.294 -8.568 1.816 1.00 0.00 N ATOM 330 CA VAL A 24 0.136 -7.530 2.734 1.00 0.00 C ATOM 331 C VAL A 24 0.821 -6.379 2.009 1.00 0.00 C ATOM 332 O VAL A 24 1.211 -6.500 0.852 1.00 0.00 O ATOM 333 CB VAL A 24 1.060 -8.116 3.811 1.00 0.00 C ATOM 334 CG1 VAL A 24 1.171 -7.176 5.003 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.533 -9.480 4.234 1.00 0.00 C ATOM 0 H VAL A 24 0.286 -9.407 1.823 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.755 -7.127 3.215 1.00 0.00 H new ATOM 0 HB VAL A 24 2.062 -8.234 3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.831 -7.614 5.752 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.578 -6.220 4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.183 -7.020 5.437 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.186 -9.901 4.999 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.475 -9.372 4.636 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.510 -10.145 3.371 1.00 0.00 H new ATOM 345 N GLU A 25 0.947 -5.264 2.710 1.00 0.00 N ATOM 346 CA GLU A 25 1.558 -4.077 2.167 1.00 0.00 C ATOM 347 C GLU A 25 3.056 -4.198 2.246 1.00 0.00 C ATOM 348 O GLU A 25 3.607 -4.615 3.262 1.00 0.00 O ATOM 349 CB GLU A 25 1.082 -2.833 2.917 1.00 0.00 C ATOM 350 CG GLU A 25 -0.183 -2.224 2.335 1.00 0.00 C ATOM 351 CD GLU A 25 0.090 -0.971 1.526 1.00 0.00 C ATOM 352 OE1 GLU A 25 0.663 -0.015 2.088 1.00 0.00 O ATOM 353 OE2 GLU A 25 -0.270 -0.946 0.331 1.00 0.00 O ATOM 0 H GLU A 25 0.626 -5.163 3.673 1.00 0.00 H new ATOM 0 HA GLU A 25 1.263 -3.975 1.123 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.904 -3.093 3.961 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.875 -2.085 2.905 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.678 -2.960 1.701 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.873 -1.986 3.145 1.00 0.00 H new ATOM 360 N ASP A 26 3.698 -3.820 1.164 1.00 0.00 N ATOM 361 CA ASP A 26 5.138 -3.855 1.039 1.00 0.00 C ATOM 362 C ASP A 26 5.800 -5.051 1.724 1.00 0.00 C ATOM 363 O ASP A 26 5.680 -5.253 2.932 1.00 0.00 O ATOM 364 CB ASP A 26 5.751 -2.551 1.550 1.00 0.00 C ATOM 365 CG ASP A 26 7.133 -2.301 0.980 1.00 0.00 C ATOM 366 OD1 ASP A 26 8.069 -3.043 1.344 1.00 0.00 O ATOM 367 OD2 ASP A 26 7.279 -1.363 0.168 1.00 0.00 O ATOM 0 H ASP A 26 3.225 -3.473 0.330 1.00 0.00 H new ATOM 0 HA ASP A 26 5.337 -3.971 -0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.097 -1.719 1.289 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.810 -2.582 2.638 1.00 0.00 H new ATOM 372 N TYR A 27 6.547 -5.809 0.931 1.00 0.00 N ATOM 373 CA TYR A 27 7.284 -6.960 1.429 1.00 0.00 C ATOM 374 C TYR A 27 8.660 -7.006 0.782 1.00 0.00 C ATOM 375 O TYR A 27 8.784 -7.064 -0.441 1.00 0.00 O ATOM 376 CB TYR A 27 6.534 -8.262 1.165 1.00 0.00 C ATOM 377 CG TYR A 27 7.180 -9.464 1.817 1.00 0.00 C ATOM 378 CD1 TYR A 27 6.838 -9.847 3.108 1.00 0.00 C ATOM 379 CD2 TYR A 27 8.137 -10.213 1.143 1.00 0.00 C ATOM 380 CE1 TYR A 27 7.431 -10.942 3.708 1.00 0.00 C ATOM 381 CE2 TYR A 27 8.733 -11.310 1.736 1.00 0.00 C ATOM 382 CZ TYR A 27 8.377 -11.669 3.018 1.00 0.00 C ATOM 383 OH TYR A 27 8.970 -12.761 3.612 1.00 0.00 O ATOM 0 H TYR A 27 6.658 -5.643 -0.069 1.00 0.00 H new ATOM 0 HA TYR A 27 7.392 -6.854 2.508 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.511 -8.165 1.529 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.475 -8.428 0.089 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.097 -9.280 3.652 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.420 -9.933 0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.154 -11.226 4.712 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.474 -11.883 1.198 1.00 0.00 H new ATOM 0 HH TYR A 27 9.613 -13.162 2.991 1.00 0.00 H new ATOM 393 N ARG A 28 9.694 -6.951 1.619 1.00 0.00 N ATOM 394 CA ARG A 28 11.067 -6.954 1.134 1.00 0.00 C ATOM 395 C ARG A 28 11.287 -5.743 0.242 1.00 0.00 C ATOM 396 O ARG A 28 11.890 -5.840 -0.827 1.00 0.00 O ATOM 397 CB ARG A 28 11.363 -8.243 0.363 1.00 0.00 C ATOM 398 CG ARG A 28 12.837 -8.619 0.351 1.00 0.00 C ATOM 399 CD ARG A 28 13.303 -9.002 -1.044 1.00 0.00 C ATOM 400 NE ARG A 28 14.753 -8.892 -1.186 1.00 0.00 N ATOM 401 CZ ARG A 28 15.405 -9.104 -2.327 1.00 0.00 C ATOM 402 NH1 ARG A 28 14.741 -9.437 -3.427 1.00 0.00 N ATOM 403 NH2 ARG A 28 16.725 -8.982 -2.368 1.00 0.00 N ATOM 0 H ARG A 28 9.605 -6.904 2.634 1.00 0.00 H new ATOM 0 HA ARG A 28 11.746 -6.905 1.985 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.792 -9.060 0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.017 -8.130 -0.664 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.430 -7.781 0.717 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.007 -9.452 1.034 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.994 -10.024 -1.262 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.817 -8.359 -1.778 1.00 0.00 H new ATOM 0 HE ARG A 28 15.298 -8.638 -0.362 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.726 -9.532 -3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.246 -9.598 -4.298 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.240 -8.726 -1.526 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.225 -9.144 -3.242 1.00 0.00 H new ATOM 417 N ALA A 29 10.760 -4.602 0.682 1.00 0.00 N ATOM 418 CA ALA A 29 10.864 -3.369 -0.082 1.00 0.00 C ATOM 419 C ALA A 29 10.095 -3.517 -1.387 1.00 0.00 C ATOM 420 O ALA A 29 10.527 -3.041 -2.437 1.00 0.00 O ATOM 421 CB ALA A 29 12.321 -3.024 -0.353 1.00 0.00 C ATOM 0 H ALA A 29 10.257 -4.510 1.565 1.00 0.00 H new ATOM 0 HA ALA A 29 10.432 -2.553 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.375 -2.098 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.847 -2.897 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.786 -3.830 -0.921 1.00 0.00 H new ATOM 427 N GLY A 30 8.960 -4.211 -1.312 1.00 0.00 N ATOM 428 CA GLY A 30 8.156 -4.442 -2.494 1.00 0.00 C ATOM 429 C GLY A 30 6.746 -3.883 -2.402 1.00 0.00 C ATOM 430 O GLY A 30 6.466 -2.987 -1.605 1.00 0.00 O ATOM 0 H GLY A 30 8.587 -4.615 -0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.657 -3.997 -3.354 1.00 0.00 H new ATOM 0 HA3 GLY A 30 8.099 -5.515 -2.678 1.00 0.00 H new ATOM 434 N ASP A 31 5.866 -4.431 -3.235 1.00 0.00 N ATOM 435 CA ASP A 31 4.461 -4.026 -3.293 1.00 0.00 C ATOM 436 C ASP A 31 3.623 -4.893 -2.360 1.00 0.00 C ATOM 437 O ASP A 31 4.046 -5.208 -1.248 1.00 0.00 O ATOM 438 CB ASP A 31 3.948 -4.112 -4.742 1.00 0.00 C ATOM 439 CG ASP A 31 5.012 -3.790 -5.780 1.00 0.00 C ATOM 440 OD1 ASP A 31 6.113 -3.344 -5.394 1.00 0.00 O ATOM 441 OD2 ASP A 31 4.743 -3.990 -6.983 1.00 0.00 O ATOM 0 H ASP A 31 6.107 -5.172 -3.893 1.00 0.00 H new ATOM 0 HA ASP A 31 4.372 -2.992 -2.961 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.565 -5.116 -4.925 1.00 0.00 H new ATOM 0 HB3 ASP A 31 3.111 -3.424 -4.865 1.00 0.00 H new ATOM 446 N MET A 32 2.438 -5.275 -2.808 1.00 0.00 N ATOM 447 CA MET A 32 1.550 -6.094 -2.013 1.00 0.00 C ATOM 448 C MET A 32 1.933 -7.567 -2.112 1.00 0.00 C ATOM 449 O MET A 32 1.913 -8.166 -3.179 1.00 0.00 O ATOM 450 CB MET A 32 0.138 -5.870 -2.499 1.00 0.00 C ATOM 451 CG MET A 32 -0.406 -4.499 -2.136 1.00 0.00 C ATOM 452 SD MET A 32 -2.148 -4.543 -1.671 1.00 0.00 S ATOM 453 CE MET A 32 -2.819 -5.584 -2.965 1.00 0.00 C ATOM 0 H MET A 32 2.071 -5.026 -3.726 1.00 0.00 H new ATOM 0 HA MET A 32 1.628 -5.812 -0.963 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.109 -5.991 -3.582 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.512 -6.636 -2.075 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.176 -4.088 -1.311 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.277 -3.825 -2.983 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.864 -5.326 -3.134 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.254 -5.431 -3.885 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.748 -6.629 -2.665 1.00 0.00 H new ATOM 463 N ILE A 33 2.357 -8.122 -1.005 1.00 0.00 N ATOM 464 CA ILE A 33 2.822 -9.489 -0.967 1.00 0.00 C ATOM 465 C ILE A 33 1.777 -10.445 -0.419 1.00 0.00 C ATOM 466 O ILE A 33 1.298 -10.290 0.702 1.00 0.00 O ATOM 467 CB ILE A 33 4.103 -9.538 -0.110 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.140 -10.474 -0.712 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.786 -9.933 1.316 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.645 -11.876 -0.885 1.00 0.00 C ATOM 0 H ILE A 33 2.390 -7.642 -0.106 1.00 0.00 H new ATOM 0 HA ILE A 33 3.027 -9.815 -1.986 1.00 0.00 H new ATOM 0 HB ILE A 33 4.529 -8.535 -0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.452 -10.084 -1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.023 -10.484 -0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.706 -9.960 1.899 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.102 -9.205 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.321 -10.919 1.326 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.435 -12.490 -1.319 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.360 -12.284 0.085 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.779 -11.877 -1.547 1.00 0.00 H new ATOM 482 N CYS A 34 1.461 -11.459 -1.209 1.00 0.00 N ATOM 483 CA CYS A 34 0.526 -12.469 -0.787 1.00 0.00 C ATOM 484 C CYS A 34 1.283 -13.524 0.002 1.00 0.00 C ATOM 485 O CYS A 34 1.883 -14.406 -0.592 1.00 0.00 O ATOM 486 CB CYS A 34 -0.124 -13.127 -1.995 1.00 0.00 C ATOM 487 SG CYS A 34 -1.371 -14.356 -1.576 1.00 0.00 S ATOM 0 H CYS A 34 1.843 -11.597 -2.145 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.251 -12.011 -0.175 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.582 -12.355 -2.613 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.650 -13.601 -2.598 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.981 -14.742 -2.657 1.00 0.00 H new ATOM 493 N PRO A 35 1.271 -13.461 1.343 1.00 0.00 N ATOM 494 CA PRO A 35 1.987 -14.422 2.192 1.00 0.00 C ATOM 495 C PRO A 35 1.794 -15.875 1.768 1.00 0.00 C ATOM 496 O PRO A 35 2.507 -16.761 2.235 1.00 0.00 O ATOM 497 CB PRO A 35 1.394 -14.190 3.593 1.00 0.00 C ATOM 498 CG PRO A 35 0.264 -13.230 3.405 1.00 0.00 C ATOM 499 CD PRO A 35 0.564 -12.467 2.149 1.00 0.00 C ATOM 0 HA PRO A 35 3.064 -14.263 2.133 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.043 -15.126 4.029 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.143 -13.783 4.272 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.685 -13.759 3.321 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.180 -12.557 4.258 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.344 -12.117 1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.179 -11.589 2.344 1.00 0.00 H new ATOM 507 N GLU A 36 0.833 -16.123 0.890 1.00 0.00 N ATOM 508 CA GLU A 36 0.559 -17.472 0.431 1.00 0.00 C ATOM 509 C GLU A 36 1.400 -17.820 -0.785 1.00 0.00 C ATOM 510 O GLU A 36 2.282 -18.668 -0.713 1.00 0.00 O ATOM 511 CB GLU A 36 -0.927 -17.628 0.109 1.00 0.00 C ATOM 512 CG GLU A 36 -1.792 -17.940 1.318 1.00 0.00 C ATOM 513 CD GLU A 36 -1.249 -19.075 2.160 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.364 -18.820 3.004 1.00 0.00 O ATOM 515 OE2 GLU A 36 -1.711 -20.216 1.977 1.00 0.00 O ATOM 0 H GLU A 36 0.232 -15.407 0.483 1.00 0.00 H new ATOM 0 HA GLU A 36 0.824 -18.162 1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.286 -16.709 -0.354 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.047 -18.424 -0.626 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.878 -17.046 1.936 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.797 -18.194 0.982 1.00 0.00 H new ATOM 522 N CYS A 37 1.185 -17.117 -1.885 1.00 0.00 N ATOM 523 CA CYS A 37 1.987 -17.347 -3.081 1.00 0.00 C ATOM 524 C CYS A 37 3.167 -16.408 -3.030 1.00 0.00 C ATOM 525 O CYS A 37 4.202 -16.632 -3.653 1.00 0.00 O ATOM 526 CB CYS A 37 1.182 -17.096 -4.362 1.00 0.00 C ATOM 527 SG CYS A 37 0.220 -15.566 -4.353 1.00 0.00 S ATOM 0 H CYS A 37 0.473 -16.392 -1.978 1.00 0.00 H new ATOM 0 HA CYS A 37 2.310 -18.388 -3.102 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.868 -17.074 -5.209 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.505 -17.935 -4.521 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.419 -15.462 -3.226 1.00 0.00 H new ATOM 533 N GLY A 38 2.967 -15.350 -2.265 1.00 0.00 N ATOM 534 CA GLY A 38 3.953 -14.332 -2.075 1.00 0.00 C ATOM 535 C GLY A 38 4.157 -13.503 -3.318 1.00 0.00 C ATOM 536 O GLY A 38 5.281 -13.160 -3.686 1.00 0.00 O ATOM 0 H GLY A 38 2.099 -15.183 -1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.651 -13.684 -1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.898 -14.792 -1.787 1.00 0.00 H new ATOM 540 N LEU A 39 3.045 -13.185 -3.957 1.00 0.00 N ATOM 541 CA LEU A 39 3.031 -12.391 -5.169 1.00 0.00 C ATOM 542 C LEU A 39 3.119 -10.912 -4.823 1.00 0.00 C ATOM 543 O LEU A 39 2.721 -10.510 -3.733 1.00 0.00 O ATOM 544 CB LEU A 39 1.741 -12.665 -5.928 1.00 0.00 C ATOM 545 CG LEU A 39 0.555 -11.821 -5.463 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.365 -10.648 -6.389 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.710 -12.650 -5.376 1.00 0.00 C ATOM 0 H LEU A 39 2.118 -13.474 -3.645 1.00 0.00 H new ATOM 0 HA LEU A 39 3.887 -12.659 -5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.910 -12.482 -6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.487 -13.720 -5.823 1.00 0.00 H new ATOM 0 HG LEU A 39 0.770 -11.448 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.482 -10.051 -6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.265 -10.034 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.174 -11.009 -7.399 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.535 -12.021 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.942 -13.063 -6.357 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.564 -13.463 -4.665 1.00 0.00 H new ATOM 559 N VAL A 40 3.658 -10.113 -5.737 1.00 0.00 N ATOM 560 CA VAL A 40 3.813 -8.693 -5.493 1.00 0.00 C ATOM 561 C VAL A 40 3.003 -7.845 -6.463 1.00 0.00 C ATOM 562 O VAL A 40 3.258 -7.836 -7.667 1.00 0.00 O ATOM 563 CB VAL A 40 5.292 -8.280 -5.579 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.453 -6.790 -5.331 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.128 -9.085 -4.596 1.00 0.00 C ATOM 0 H VAL A 40 3.992 -10.427 -6.648 1.00 0.00 H new ATOM 0 HA VAL A 40 3.436 -8.513 -4.486 1.00 0.00 H new ATOM 0 HB VAL A 40 5.648 -8.493 -6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.507 -6.522 -5.397 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.890 -6.234 -6.080 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.078 -6.544 -4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.172 -8.780 -4.671 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.769 -8.907 -3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.043 -10.146 -4.830 1.00 0.00 H new ATOM 575 N VAL A 41 2.048 -7.107 -5.914 1.00 0.00 N ATOM 576 CA VAL A 41 1.216 -6.217 -6.706 1.00 0.00 C ATOM 577 C VAL A 41 1.237 -4.821 -6.103 1.00 0.00 C ATOM 578 O VAL A 41 1.058 -4.657 -4.899 1.00 0.00 O ATOM 579 CB VAL A 41 -0.253 -6.683 -6.776 1.00 0.00 C ATOM 580 CG1 VAL A 41 -1.112 -5.679 -7.527 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.358 -8.050 -7.419 1.00 0.00 C ATOM 0 H VAL A 41 1.831 -7.109 -4.917 1.00 0.00 H new ATOM 0 HA VAL A 41 1.628 -6.221 -7.715 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.625 -6.753 -5.754 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.142 -6.034 -7.560 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.076 -4.716 -7.017 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.734 -5.565 -8.543 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.404 -8.355 -7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.044 -8.008 -8.431 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.210 -8.772 -6.833 1.00 0.00 H new ATOM 591 N GLY A 42 1.445 -3.814 -6.933 1.00 0.00 N ATOM 592 CA GLY A 42 1.470 -2.463 -6.436 1.00 0.00 C ATOM 593 C GLY A 42 2.716 -1.728 -6.862 1.00 0.00 C ATOM 594 O GLY A 42 3.370 -2.112 -7.829 1.00 0.00 O ATOM 0 H GLY A 42 1.596 -3.910 -7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.592 -1.928 -6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.411 -2.476 -5.348 1.00 0.00 H new ATOM 598 N ASP A 43 3.047 -0.672 -6.137 1.00 0.00 N ATOM 599 CA ASP A 43 4.225 0.121 -6.444 1.00 0.00 C ATOM 600 C ASP A 43 4.056 0.847 -7.775 1.00 0.00 C ATOM 601 O ASP A 43 5.022 1.056 -8.508 1.00 0.00 O ATOM 602 CB ASP A 43 5.479 -0.757 -6.474 1.00 0.00 C ATOM 603 CG ASP A 43 6.746 0.048 -6.690 1.00 0.00 C ATOM 604 OD1 ASP A 43 7.255 0.630 -5.709 1.00 0.00 O ATOM 605 OD2 ASP A 43 7.230 0.095 -7.842 1.00 0.00 O ATOM 0 H ASP A 43 2.515 -0.344 -5.331 1.00 0.00 H new ATOM 0 HA ASP A 43 4.344 0.865 -5.656 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.557 -1.306 -5.536 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.382 -1.496 -7.269 1.00 0.00 H new ATOM 610 N ARG A 44 2.820 1.226 -8.081 1.00 0.00 N ATOM 611 CA ARG A 44 2.520 1.928 -9.324 1.00 0.00 C ATOM 612 C ARG A 44 2.975 3.382 -9.255 1.00 0.00 C ATOM 613 O ARG A 44 3.581 3.807 -8.271 1.00 0.00 O ATOM 614 CB ARG A 44 1.020 1.864 -9.621 1.00 0.00 C ATOM 615 CG ARG A 44 0.614 0.657 -10.452 1.00 0.00 C ATOM 616 CD ARG A 44 1.319 0.645 -11.799 1.00 0.00 C ATOM 617 NE ARG A 44 2.540 -0.158 -11.771 1.00 0.00 N ATOM 618 CZ ARG A 44 3.514 -0.059 -12.673 1.00 0.00 C ATOM 619 NH1 ARG A 44 3.414 0.804 -13.677 1.00 0.00 N ATOM 620 NH2 ARG A 44 4.590 -0.826 -12.572 1.00 0.00 N ATOM 0 H ARG A 44 2.009 1.059 -7.485 1.00 0.00 H new ATOM 0 HA ARG A 44 3.065 1.435 -10.129 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.472 1.847 -8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.723 2.772 -10.146 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.851 -0.257 -9.908 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.465 0.666 -10.605 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.643 0.251 -12.558 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.564 1.667 -12.089 1.00 0.00 H new ATOM 0 HE ARG A 44 2.652 -0.834 -11.016 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.587 1.396 -13.760 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.164 0.875 -14.365 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.671 -1.492 -11.803 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.337 -0.751 -13.263 1.00 0.00 H new ATOM 634 N VAL A 45 2.677 4.139 -10.305 1.00 0.00 N ATOM 635 CA VAL A 45 3.053 5.546 -10.367 1.00 0.00 C ATOM 636 C VAL A 45 2.360 6.348 -9.271 1.00 0.00 C ATOM 637 O VAL A 45 1.173 6.657 -9.372 1.00 0.00 O ATOM 638 CB VAL A 45 2.702 6.163 -11.735 1.00 0.00 C ATOM 639 CG1 VAL A 45 3.677 5.694 -12.803 1.00 0.00 C ATOM 640 CG2 VAL A 45 1.271 5.823 -12.122 1.00 0.00 C ATOM 0 H VAL A 45 2.175 3.801 -11.126 1.00 0.00 H new ATOM 0 HA VAL A 45 4.132 5.591 -10.222 1.00 0.00 H new ATOM 0 HB VAL A 45 2.785 7.247 -11.654 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.411 6.142 -13.761 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.688 5.996 -12.530 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.632 4.608 -12.885 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.041 6.267 -13.091 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.158 4.741 -12.183 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.587 6.218 -11.370 1.00 0.00 H new ATOM 650 N ILE A 46 3.107 6.681 -8.224 1.00 0.00 N ATOM 651 CA ILE A 46 2.563 7.447 -7.109 1.00 0.00 C ATOM 652 C ILE A 46 3.634 7.722 -6.056 1.00 0.00 C ATOM 653 O ILE A 46 4.082 6.812 -5.360 1.00 0.00 O ATOM 654 CB ILE A 46 1.376 6.713 -6.450 1.00 0.00 C ATOM 655 CG1 ILE A 46 0.760 7.574 -5.344 1.00 0.00 C ATOM 656 CG2 ILE A 46 1.821 5.368 -5.895 1.00 0.00 C ATOM 657 CD1 ILE A 46 0.139 8.856 -5.852 1.00 0.00 C ATOM 0 H ILE A 46 4.091 6.432 -8.124 1.00 0.00 H new ATOM 0 HA ILE A 46 2.210 8.395 -7.515 1.00 0.00 H new ATOM 0 HB ILE A 46 0.616 6.536 -7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.001 6.993 -4.823 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.531 7.818 -4.613 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.971 4.865 -5.434 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.212 4.752 -6.705 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.600 5.522 -5.148 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.278 9.415 -5.014 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.901 9.458 -6.347 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.654 8.620 -6.561 1.00 0.00 H new ATOM 669 N ASP A 47 4.038 8.983 -5.948 1.00 0.00 N ATOM 670 CA ASP A 47 5.055 9.379 -4.981 1.00 0.00 C ATOM 671 C ASP A 47 4.544 10.501 -4.082 1.00 0.00 C ATOM 672 O ASP A 47 3.852 11.410 -4.540 1.00 0.00 O ATOM 673 CB ASP A 47 6.329 9.826 -5.702 1.00 0.00 C ATOM 674 CG ASP A 47 7.576 9.187 -5.122 1.00 0.00 C ATOM 675 OD1 ASP A 47 7.839 8.007 -5.436 1.00 0.00 O ATOM 676 OD2 ASP A 47 8.290 9.867 -4.353 1.00 0.00 O ATOM 0 H ASP A 47 3.677 9.748 -6.518 1.00 0.00 H new ATOM 0 HA ASP A 47 5.284 8.515 -4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.253 9.573 -6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.417 10.911 -5.639 1.00 0.00 H new ATOM 681 N VAL A 48 4.887 10.430 -2.801 1.00 0.00 N ATOM 682 CA VAL A 48 4.462 11.440 -1.838 1.00 0.00 C ATOM 683 C VAL A 48 5.619 11.850 -0.932 1.00 0.00 C ATOM 684 O VAL A 48 5.422 12.155 0.245 1.00 0.00 O ATOM 685 CB VAL A 48 3.293 10.940 -0.962 1.00 0.00 C ATOM 686 CG1 VAL A 48 2.433 12.109 -0.504 1.00 0.00 C ATOM 687 CG2 VAL A 48 2.451 9.913 -1.709 1.00 0.00 C ATOM 0 H VAL A 48 5.458 9.684 -2.405 1.00 0.00 H new ATOM 0 HA VAL A 48 4.125 12.301 -2.415 1.00 0.00 H new ATOM 0 HB VAL A 48 3.713 10.454 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.614 11.739 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.041 12.802 0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.028 12.625 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.635 9.577 -1.069 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.042 10.366 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.073 9.060 -1.980 1.00 0.00 H new ATOM 697 N GLY A 49 6.825 11.853 -1.488 1.00 0.00 N ATOM 698 CA GLY A 49 7.998 12.225 -0.719 1.00 0.00 C ATOM 699 C GLY A 49 7.893 13.621 -0.132 1.00 0.00 C ATOM 700 O GLY A 49 8.155 14.609 -0.816 1.00 0.00 O ATOM 0 H GLY A 49 7.012 11.604 -2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.142 11.506 0.087 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.879 12.169 -1.358 1.00 0.00 H new ATOM 704 N SER A 50 7.508 13.699 1.138 1.00 0.00 N ATOM 705 CA SER A 50 7.370 14.982 1.819 1.00 0.00 C ATOM 706 C SER A 50 6.362 15.874 1.101 1.00 0.00 C ATOM 707 O SER A 50 6.682 16.500 0.091 1.00 0.00 O ATOM 708 CB SER A 50 8.726 15.685 1.904 1.00 0.00 C ATOM 709 OG SER A 50 9.276 15.577 3.206 1.00 0.00 O ATOM 0 H SER A 50 7.286 12.889 1.717 1.00 0.00 H new ATOM 0 HA SER A 50 7.004 14.793 2.828 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.412 15.248 1.179 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.611 16.736 1.640 1.00 0.00 H new ATOM 0 HG SER A 50 10.143 16.033 3.234 1.00 0.00 H new ATOM 715 N GLU A 51 5.145 15.928 1.631 1.00 0.00 N ATOM 716 CA GLU A 51 4.090 16.743 1.041 1.00 0.00 C ATOM 717 C GLU A 51 4.458 18.222 1.088 1.00 0.00 C ATOM 718 O GLU A 51 4.771 18.828 0.063 1.00 0.00 O ATOM 719 CB GLU A 51 2.768 16.511 1.773 1.00 0.00 C ATOM 720 CG GLU A 51 1.978 15.328 1.241 1.00 0.00 C ATOM 721 CD GLU A 51 0.979 15.727 0.172 1.00 0.00 C ATOM 722 OE1 GLU A 51 1.416 16.137 -0.924 1.00 0.00 O ATOM 723 OE2 GLU A 51 -0.239 15.628 0.431 1.00 0.00 O ATOM 0 H GLU A 51 4.865 15.417 2.468 1.00 0.00 H new ATOM 0 HA GLU A 51 3.976 16.447 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.971 16.354 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.157 17.410 1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.668 14.590 0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.450 14.848 2.065 1.00 0.00 H new ATOM 730 N TRP A 52 4.418 18.799 2.285 1.00 0.00 N ATOM 731 CA TRP A 52 4.747 20.208 2.466 1.00 0.00 C ATOM 732 C TRP A 52 5.487 20.434 3.781 1.00 0.00 C ATOM 733 O TRP A 52 6.482 21.157 3.829 1.00 0.00 O ATOM 734 CB TRP A 52 3.476 21.058 2.428 1.00 0.00 C ATOM 735 CG TRP A 52 2.617 20.792 1.228 1.00 0.00 C ATOM 736 CD1 TRP A 52 2.983 20.908 -0.081 1.00 0.00 C ATOM 737 CD2 TRP A 52 1.250 20.367 1.229 1.00 0.00 C ATOM 738 NE1 TRP A 52 1.926 20.581 -0.897 1.00 0.00 N ATOM 739 CE2 TRP A 52 0.851 20.245 -0.116 1.00 0.00 C ATOM 740 CE3 TRP A 52 0.325 20.077 2.234 1.00 0.00 C ATOM 741 CZ2 TRP A 52 -0.433 19.846 -0.478 1.00 0.00 C ATOM 742 CZ3 TRP A 52 -0.950 19.681 1.874 1.00 0.00 C ATOM 743 CH2 TRP A 52 -1.318 19.568 0.527 1.00 0.00 C ATOM 0 H TRP A 52 4.161 18.312 3.144 1.00 0.00 H new ATOM 0 HA TRP A 52 5.402 20.509 1.649 1.00 0.00 H new ATOM 0 HB2 TRP A 52 2.895 20.870 3.331 1.00 0.00 H new ATOM 0 HB3 TRP A 52 3.752 22.112 2.441 1.00 0.00 H new ATOM 0 HD1 TRP A 52 3.960 21.212 -0.426 1.00 0.00 H new ATOM 0 HE1 TRP A 52 1.940 20.587 -1.917 1.00 0.00 H new ATOM 0 HE3 TRP A 52 0.601 20.161 3.275 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.720 19.759 -1.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -1.674 19.455 2.643 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -2.321 19.255 0.277 1.00 0.00 H new ATOM 754 N ARG A 53 4.994 19.808 4.848 1.00 0.00 N ATOM 755 CA ARG A 53 5.608 19.939 6.166 1.00 0.00 C ATOM 756 C ARG A 53 5.408 21.346 6.723 1.00 0.00 C ATOM 757 O ARG A 53 6.274 21.879 7.418 1.00 0.00 O ATOM 758 CB ARG A 53 7.103 19.607 6.095 1.00 0.00 C ATOM 759 CG ARG A 53 7.504 18.431 6.971 1.00 0.00 C ATOM 760 CD ARG A 53 7.785 18.870 8.398 1.00 0.00 C ATOM 761 NE ARG A 53 7.903 17.731 9.307 1.00 0.00 N ATOM 762 CZ ARG A 53 8.052 17.847 10.624 1.00 0.00 C ATOM 763 NH1 ARG A 53 8.103 19.045 11.192 1.00 0.00 N ATOM 764 NH2 ARG A 53 8.148 16.759 11.377 1.00 0.00 N ATOM 0 H ARG A 53 4.171 19.205 4.825 1.00 0.00 H new ATOM 0 HA ARG A 53 5.121 19.232 6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.370 19.388 5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.677 20.485 6.393 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.708 17.686 6.968 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.390 17.952 6.555 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.706 19.452 8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.984 19.526 8.740 1.00 0.00 H new ATOM 0 HE ARG A 53 7.869 16.793 8.908 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.028 19.885 10.618 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.217 19.126 12.202 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.108 15.835 10.946 1.00 0.00 H new ATOM 0 HH22 ARG A 53 8.262 16.846 12.387 1.00 0.00 H new ATOM 778 N THR A 54 4.261 21.941 6.414 1.00 0.00 N ATOM 779 CA THR A 54 3.944 23.284 6.883 1.00 0.00 C ATOM 780 C THR A 54 3.675 23.286 8.384 1.00 0.00 C ATOM 781 O THR A 54 3.725 22.243 9.035 1.00 0.00 O ATOM 782 CB THR A 54 2.729 23.834 6.135 1.00 0.00 C ATOM 783 OG1 THR A 54 2.573 23.185 4.886 1.00 0.00 O ATOM 784 CG2 THR A 54 2.812 25.323 5.872 1.00 0.00 C ATOM 0 H THR A 54 3.535 21.513 5.840 1.00 0.00 H new ATOM 0 HA THR A 54 4.804 23.924 6.685 1.00 0.00 H new ATOM 0 HB THR A 54 1.877 23.643 6.788 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.790 23.549 4.424 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.919 25.649 5.338 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.883 25.856 6.820 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.694 25.537 5.268 1.00 0.00 H new ATOM 792 N PHE A 55 3.387 24.465 8.927 1.00 0.00 N ATOM 793 CA PHE A 55 3.108 24.601 10.351 1.00 0.00 C ATOM 794 C PHE A 55 2.426 25.933 10.647 1.00 0.00 C ATOM 795 O PHE A 55 2.606 26.509 11.720 1.00 0.00 O ATOM 796 CB PHE A 55 4.403 24.489 11.158 1.00 0.00 C ATOM 797 CG PHE A 55 5.442 25.502 10.769 1.00 0.00 C ATOM 798 CD1 PHE A 55 6.025 25.469 9.513 1.00 0.00 C ATOM 799 CD2 PHE A 55 5.833 26.488 11.660 1.00 0.00 C ATOM 800 CE1 PHE A 55 6.979 26.400 9.151 1.00 0.00 C ATOM 801 CE2 PHE A 55 6.787 27.423 11.305 1.00 0.00 C ATOM 802 CZ PHE A 55 7.362 27.378 10.049 1.00 0.00 C ATOM 0 H PHE A 55 3.341 25.339 8.402 1.00 0.00 H new ATOM 0 HA PHE A 55 2.434 23.795 10.642 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.173 24.605 12.217 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.816 23.489 11.029 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.730 24.706 8.808 1.00 0.00 H new ATOM 0 HD2 PHE A 55 5.387 26.527 12.643 1.00 0.00 H new ATOM 0 HE1 PHE A 55 7.425 26.364 8.168 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.083 28.188 12.008 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.109 28.106 9.770 1.00 0.00 H new ATOM 812 N SER A 56 1.641 26.415 9.689 1.00 0.00 N ATOM 813 CA SER A 56 0.931 27.679 9.847 1.00 0.00 C ATOM 814 C SER A 56 1.907 28.826 10.088 1.00 0.00 C ATOM 815 O SER A 56 3.112 28.611 10.220 1.00 0.00 O ATOM 816 CB SER A 56 -0.063 27.589 11.006 1.00 0.00 C ATOM 817 OG SER A 56 -0.631 26.294 11.093 1.00 0.00 O ATOM 0 H SER A 56 1.481 25.950 8.796 1.00 0.00 H new ATOM 0 HA SER A 56 0.386 27.877 8.924 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.442 27.831 11.941 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.853 28.327 10.869 1.00 0.00 H new ATOM 0 HG SER A 56 -1.261 26.263 11.843 1.00 0.00 H new ATOM 823 N ASN A 57 1.379 30.044 10.143 1.00 0.00 N ATOM 824 CA ASN A 57 2.203 31.225 10.367 1.00 0.00 C ATOM 825 C ASN A 57 1.605 32.108 11.458 1.00 0.00 C ATOM 826 O ASN A 57 0.464 31.910 11.874 1.00 0.00 O ATOM 827 CB ASN A 57 2.349 32.023 9.069 1.00 0.00 C ATOM 828 CG ASN A 57 3.785 32.422 8.793 1.00 0.00 C ATOM 829 OD1 ASN A 57 4.721 31.835 9.336 1.00 0.00 O ATOM 830 ND2 ASN A 57 3.966 33.427 7.944 1.00 0.00 N ATOM 0 H ASN A 57 0.384 30.239 10.035 1.00 0.00 H new ATOM 0 HA ASN A 57 3.188 30.894 10.695 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.974 31.428 8.236 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.730 32.919 9.125 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.910 33.741 7.719 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.161 33.885 7.517 1.00 0.00 H new ATOM 837 N ASP A 58 2.384 33.082 11.917 1.00 0.00 N ATOM 838 CA ASP A 58 1.930 33.996 12.959 1.00 0.00 C ATOM 839 C ASP A 58 0.726 34.803 12.485 1.00 0.00 C ATOM 840 O ASP A 58 -0.352 34.735 13.077 1.00 0.00 O ATOM 841 CB ASP A 58 3.062 34.939 13.369 1.00 0.00 C ATOM 842 CG ASP A 58 2.687 35.815 14.548 1.00 0.00 C ATOM 843 OD1 ASP A 58 1.864 36.736 14.366 1.00 0.00 O ATOM 844 OD2 ASP A 58 3.216 35.579 15.655 1.00 0.00 O ATOM 0 H ASP A 58 3.332 33.259 11.584 1.00 0.00 H new ATOM 0 HA ASP A 58 1.631 33.403 13.823 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.946 34.353 13.622 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.330 35.570 12.522 1.00 0.00 H new ATOM 849 N LYS A 59 0.919 35.566 11.415 1.00 0.00 N ATOM 850 CA LYS A 59 -0.151 36.386 10.859 1.00 0.00 C ATOM 851 C LYS A 59 -1.272 35.514 10.304 1.00 0.00 C ATOM 852 O LYS A 59 -1.156 34.273 10.395 1.00 0.00 O ATOM 853 CB LYS A 59 0.397 37.298 9.759 1.00 0.00 C ATOM 854 CG LYS A 59 0.656 38.723 10.223 1.00 0.00 C ATOM 855 CD LYS A 59 2.115 39.113 10.050 1.00 0.00 C ATOM 856 CE LYS A 59 2.989 38.506 11.137 1.00 0.00 C ATOM 857 NZ LYS A 59 3.848 37.410 10.610 1.00 0.00 N ATOM 0 H LYS A 59 1.806 35.634 10.916 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.559 37.001 11.661 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.326 36.875 9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.310 37.318 8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.026 39.410 9.658 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.375 38.821 11.271 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.467 38.783 9.073 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.207 40.199 10.072 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.618 39.282 11.573 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.358 38.120 11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.428 37.022 11.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.248 36.657 10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.469 37.784 9.864 1.00 0.00 H new TER 871 LYS A 59