USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 527 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 36 HIS :FLIP no HD1:sc= -0.376 F(o=-2.4,f=-0.49) USER MOD Set 1.2: A 47 THR OG1 : rot 68:sc= -0.113 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.104 (180deg=0) USER MOD Single : A 2 SER OG : rot 50:sc= 0.91 USER MOD Single : A 3 SER OG : rot 180:sc= 0 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 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -49:sc= -0.835 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0179) USER MOD Single : A 32 MET CE :methyl -175:sc= 0 (180deg=-0.0409) USER MOD Single : A 37 ASN : amide:sc= -0.449 X(o=-0.45,f=0) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0.341 K(o=0.34,f=-10!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.486 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 66 SER OG : rot 180:sc= -0.231 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.715 8.005 5.474 1.00 0.00 N ATOM 2 CA GLY A 1 -23.331 7.898 5.897 1.00 0.00 C ATOM 3 C GLY A 1 -22.620 9.237 5.900 1.00 0.00 C ATOM 4 O GLY A 1 -23.187 10.249 5.488 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.340 7.735 6.260 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.917 8.985 5.192 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.881 7.371 4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.292 7.468 6.898 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.804 7.212 5.234 1.00 0.00 H new ATOM 8 N SER A 2 -21.377 9.243 6.369 1.00 0.00 N ATOM 9 CA SER A 2 -20.589 10.469 6.430 1.00 0.00 C ATOM 10 C SER A 2 -19.602 10.539 5.270 1.00 0.00 C ATOM 11 O SER A 2 -18.499 9.997 5.345 1.00 0.00 O ATOM 12 CB SER A 2 -19.838 10.552 7.760 1.00 0.00 C ATOM 13 OG SER A 2 -18.944 9.462 7.910 1.00 0.00 O ATOM 0 H SER A 2 -20.893 8.413 6.712 1.00 0.00 H new ATOM 0 HA SER A 2 -21.272 11.315 6.354 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.285 11.490 7.811 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.551 10.558 8.584 1.00 0.00 H new ATOM 0 HG SER A 2 -18.391 9.379 7.105 1.00 0.00 H new ATOM 19 N SER A 3 -20.006 11.211 4.196 1.00 0.00 N ATOM 20 CA SER A 3 -19.159 11.349 3.017 1.00 0.00 C ATOM 21 C SER A 3 -18.476 12.713 2.996 1.00 0.00 C ATOM 22 O SER A 3 -19.104 13.738 3.258 1.00 0.00 O ATOM 23 CB SER A 3 -19.986 11.160 1.744 1.00 0.00 C ATOM 24 OG SER A 3 -19.256 11.562 0.598 1.00 0.00 O ATOM 0 H SER A 3 -20.914 11.668 4.118 1.00 0.00 H new ATOM 0 HA SER A 3 -18.390 10.578 3.060 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.275 10.114 1.646 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.906 11.740 1.815 1.00 0.00 H new ATOM 0 HG SER A 3 -19.805 11.430 -0.203 1.00 0.00 H new ATOM 30 N GLY A 4 -17.184 12.717 2.681 1.00 0.00 N ATOM 31 CA GLY A 4 -16.436 13.959 2.632 1.00 0.00 C ATOM 32 C GLY A 4 -14.991 13.783 3.055 1.00 0.00 C ATOM 33 O GLY A 4 -14.535 14.415 4.008 1.00 0.00 O ATOM 0 H GLY A 4 -16.642 11.882 2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.468 14.359 1.619 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.914 14.693 3.280 1.00 0.00 H new ATOM 37 N SER A 5 -14.269 12.922 2.345 1.00 0.00 N ATOM 38 CA SER A 5 -12.868 12.661 2.656 1.00 0.00 C ATOM 39 C SER A 5 -11.979 12.969 1.455 1.00 0.00 C ATOM 40 O SER A 5 -12.469 13.246 0.361 1.00 0.00 O ATOM 41 CB SER A 5 -12.682 11.203 3.083 1.00 0.00 C ATOM 42 OG SER A 5 -13.196 10.983 4.385 1.00 0.00 O ATOM 0 H SER A 5 -14.631 12.394 1.551 1.00 0.00 H new ATOM 0 HA SER A 5 -12.576 13.313 3.479 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.186 10.546 2.374 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.623 10.946 3.059 1.00 0.00 H new ATOM 0 HG SER A 5 -13.067 10.044 4.633 1.00 0.00 H new ATOM 48 N SER A 6 -10.668 12.918 1.670 1.00 0.00 N ATOM 49 CA SER A 6 -9.709 13.196 0.607 1.00 0.00 C ATOM 50 C SER A 6 -9.095 11.903 0.078 1.00 0.00 C ATOM 51 O SER A 6 -8.622 11.067 0.847 1.00 0.00 O ATOM 52 CB SER A 6 -8.606 14.125 1.117 1.00 0.00 C ATOM 53 OG SER A 6 -7.785 14.574 0.052 1.00 0.00 O ATOM 0 H SER A 6 -10.246 12.687 2.569 1.00 0.00 H new ATOM 0 HA SER A 6 -10.240 13.687 -0.209 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.052 14.981 1.622 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.997 13.602 1.854 1.00 0.00 H new ATOM 0 HG SER A 6 -7.089 15.168 0.403 1.00 0.00 H new ATOM 59 N GLY A 7 -9.108 11.746 -1.242 1.00 0.00 N ATOM 60 CA GLY A 7 -8.551 10.553 -1.853 1.00 0.00 C ATOM 61 C GLY A 7 -7.039 10.607 -1.958 1.00 0.00 C ATOM 62 O GLY A 7 -6.494 11.353 -2.771 1.00 0.00 O ATOM 0 H GLY A 7 -9.494 12.424 -1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.841 9.680 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.977 10.426 -2.848 1.00 0.00 H new ATOM 66 N ARG A 8 -6.362 9.816 -1.133 1.00 0.00 N ATOM 67 CA ARG A 8 -4.904 9.780 -1.135 1.00 0.00 C ATOM 68 C ARG A 8 -4.393 8.525 -1.835 1.00 0.00 C ATOM 69 O ARG A 8 -4.606 7.408 -1.364 1.00 0.00 O ATOM 70 CB ARG A 8 -4.369 9.831 0.298 1.00 0.00 C ATOM 71 CG ARG A 8 -2.860 9.987 0.379 1.00 0.00 C ATOM 72 CD ARG A 8 -2.404 10.262 1.804 1.00 0.00 C ATOM 73 NE ARG A 8 -1.054 10.818 1.849 1.00 0.00 N ATOM 74 CZ ARG A 8 -0.255 10.722 2.906 1.00 0.00 C ATOM 75 NH1 ARG A 8 -0.668 10.094 3.998 1.00 0.00 N ATOM 76 NH2 ARG A 8 0.960 11.253 2.870 1.00 0.00 N ATOM 0 H ARG A 8 -6.799 9.192 -0.455 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.545 10.652 -1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.840 10.662 0.823 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.660 8.918 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.379 9.081 0.010 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -2.542 10.803 -0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.098 10.956 2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -2.434 9.337 2.379 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.706 11.307 1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.601 9.683 4.028 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.053 10.022 4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.281 11.735 2.031 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.573 11.179 3.682 1.00 0.00 H new ATOM 90 N ARG A 9 -3.717 8.716 -2.964 1.00 0.00 N ATOM 91 CA ARG A 9 -3.177 7.600 -3.730 1.00 0.00 C ATOM 92 C ARG A 9 -1.706 7.372 -3.395 1.00 0.00 C ATOM 93 O ARG A 9 -0.926 8.319 -3.300 1.00 0.00 O ATOM 94 CB ARG A 9 -3.335 7.859 -5.229 1.00 0.00 C ATOM 95 CG ARG A 9 -3.502 6.592 -6.052 1.00 0.00 C ATOM 96 CD ARG A 9 -3.185 6.835 -7.519 1.00 0.00 C ATOM 97 NE ARG A 9 -4.368 7.240 -8.275 1.00 0.00 N ATOM 98 CZ ARG A 9 -4.327 7.662 -9.534 1.00 0.00 C ATOM 99 NH1 ARG A 9 -3.168 7.733 -10.175 1.00 0.00 N ATOM 100 NH2 ARG A 9 -5.446 8.012 -10.154 1.00 0.00 N ATOM 0 H ARG A 9 -3.531 9.634 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.736 6.704 -3.462 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.200 8.502 -5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.462 8.404 -5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.846 5.814 -5.661 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.524 6.226 -5.955 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.420 7.607 -7.602 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.769 5.927 -7.955 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.275 7.196 -7.811 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.306 7.463 -9.701 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.139 8.057 -11.142 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.339 7.957 -9.664 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.414 8.336 -11.121 1.00 0.00 H new ATOM 114 N VAL A 10 -1.334 6.108 -3.217 1.00 0.00 N ATOM 115 CA VAL A 10 0.043 5.755 -2.893 1.00 0.00 C ATOM 116 C VAL A 10 0.537 4.609 -3.769 1.00 0.00 C ATOM 117 O VAL A 10 -0.259 3.848 -4.320 1.00 0.00 O ATOM 118 CB VAL A 10 0.186 5.353 -1.413 1.00 0.00 C ATOM 119 CG1 VAL A 10 0.109 6.580 -0.517 1.00 0.00 C ATOM 120 CG2 VAL A 10 -0.880 4.337 -1.032 1.00 0.00 C ATOM 0 H VAL A 10 -1.967 5.312 -3.292 1.00 0.00 H new ATOM 0 HA VAL A 10 0.650 6.641 -3.082 1.00 0.00 H new ATOM 0 HB VAL A 10 1.163 4.891 -1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.212 6.277 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.912 7.270 -0.775 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.853 7.074 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.764 4.064 0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.868 4.771 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.773 3.447 -1.652 1.00 0.00 H new ATOM 130 N ARG A 11 1.855 4.492 -3.893 1.00 0.00 N ATOM 131 CA ARG A 11 2.456 3.440 -4.703 1.00 0.00 C ATOM 132 C ARG A 11 3.390 2.573 -3.863 1.00 0.00 C ATOM 133 O ARG A 11 4.103 3.074 -2.995 1.00 0.00 O ATOM 134 CB ARG A 11 3.225 4.047 -5.878 1.00 0.00 C ATOM 135 CG ARG A 11 4.171 3.070 -6.556 1.00 0.00 C ATOM 136 CD ARG A 11 4.818 3.685 -7.788 1.00 0.00 C ATOM 137 NE ARG A 11 5.924 4.572 -7.439 1.00 0.00 N ATOM 138 CZ ARG A 11 5.766 5.850 -7.113 1.00 0.00 C ATOM 139 NH1 ARG A 11 4.554 6.387 -7.091 1.00 0.00 N ATOM 140 NH2 ARG A 11 6.822 6.594 -6.808 1.00 0.00 N ATOM 0 H ARG A 11 2.527 5.113 -3.443 1.00 0.00 H new ATOM 0 HA ARG A 11 1.654 2.811 -5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.513 4.420 -6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.796 4.905 -5.523 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.945 2.763 -5.852 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.625 2.171 -6.841 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.182 2.892 -8.441 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.069 4.243 -8.351 1.00 0.00 H new ATOM 0 HE ARG A 11 6.870 4.189 -7.446 1.00 0.00 H new ATOM 0 HH11 ARG A 11 3.740 5.819 -7.325 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.436 7.369 -6.840 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.756 6.185 -6.824 1.00 0.00 H new ATOM 0 HH22 ARG A 11 6.699 7.575 -6.558 1.00 0.00 H new ATOM 154 N ALA A 12 3.378 1.271 -4.128 1.00 0.00 N ATOM 155 CA ALA A 12 4.225 0.336 -3.398 1.00 0.00 C ATOM 156 C ALA A 12 5.653 0.355 -3.933 1.00 0.00 C ATOM 157 O ALA A 12 5.924 -0.151 -5.022 1.00 0.00 O ATOM 158 CB ALA A 12 3.648 -1.070 -3.477 1.00 0.00 C ATOM 0 H ALA A 12 2.791 0.840 -4.842 1.00 0.00 H new ATOM 0 HA ALA A 12 4.253 0.648 -2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.290 -1.758 -2.928 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.649 -1.079 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.590 -1.382 -4.520 1.00 0.00 H new ATOM 164 N ILE A 13 6.561 0.943 -3.161 1.00 0.00 N ATOM 165 CA ILE A 13 7.960 1.028 -3.558 1.00 0.00 C ATOM 166 C ILE A 13 8.641 -0.334 -3.469 1.00 0.00 C ATOM 167 O ILE A 13 9.705 -0.549 -4.050 1.00 0.00 O ATOM 168 CB ILE A 13 8.734 2.033 -2.685 1.00 0.00 C ATOM 169 CG1 ILE A 13 8.808 1.535 -1.240 1.00 0.00 C ATOM 170 CG2 ILE A 13 8.075 3.403 -2.745 1.00 0.00 C ATOM 171 CD1 ILE A 13 9.961 2.123 -0.457 1.00 0.00 C ATOM 0 H ILE A 13 6.352 1.367 -2.257 1.00 0.00 H new ATOM 0 HA ILE A 13 7.973 1.372 -4.592 1.00 0.00 H new ATOM 0 HB ILE A 13 9.749 2.122 -3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.874 1.777 -0.733 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.898 0.449 -1.243 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.633 4.103 -2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.068 3.759 -3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.051 3.330 -2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.952 1.726 0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.901 1.860 -0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.862 3.208 -0.423 1.00 0.00 H new ATOM 183 N LEU A 14 8.018 -1.253 -2.738 1.00 0.00 N ATOM 184 CA LEU A 14 8.562 -2.597 -2.574 1.00 0.00 C ATOM 185 C LEU A 14 7.446 -3.613 -2.352 1.00 0.00 C ATOM 186 O LEU A 14 6.336 -3.272 -1.942 1.00 0.00 O ATOM 187 CB LEU A 14 9.540 -2.632 -1.398 1.00 0.00 C ATOM 188 CG LEU A 14 10.979 -2.218 -1.709 1.00 0.00 C ATOM 189 CD1 LEU A 14 11.658 -1.672 -0.463 1.00 0.00 C ATOM 190 CD2 LEU A 14 11.762 -3.394 -2.274 1.00 0.00 C ATOM 0 H LEU A 14 7.137 -1.092 -2.250 1.00 0.00 H new ATOM 0 HA LEU A 14 9.093 -2.862 -3.489 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.157 -1.980 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.554 -3.644 -0.993 1.00 0.00 H new ATOM 0 HG LEU A 14 10.956 -1.429 -2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.681 -1.383 -0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.110 -0.802 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.670 -2.440 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.784 -3.081 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.777 -4.205 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.287 -3.740 -3.192 1.00 0.00 H new ATOM 202 N PRO A 15 7.745 -4.891 -2.627 1.00 0.00 N ATOM 203 CA PRO A 15 6.781 -5.983 -2.463 1.00 0.00 C ATOM 204 C PRO A 15 6.473 -6.268 -0.997 1.00 0.00 C ATOM 205 O PRO A 15 7.228 -5.877 -0.106 1.00 0.00 O ATOM 206 CB PRO A 15 7.489 -7.180 -3.103 1.00 0.00 C ATOM 207 CG PRO A 15 8.940 -6.863 -2.996 1.00 0.00 C ATOM 208 CD PRO A 15 9.048 -5.369 -3.119 1.00 0.00 C ATOM 0 HA PRO A 15 5.818 -5.748 -2.916 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.247 -8.107 -2.584 1.00 0.00 H new ATOM 0 HB3 PRO A 15 7.188 -7.309 -4.143 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.345 -7.206 -2.044 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.507 -7.361 -3.782 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.871 -4.975 -2.523 1.00 0.00 H new ATOM 0 HD3 PRO A 15 9.225 -5.062 -4.150 1.00 0.00 H new ATOM 216 N TYR A 16 5.360 -6.951 -0.753 1.00 0.00 N ATOM 217 CA TYR A 16 4.951 -7.287 0.606 1.00 0.00 C ATOM 218 C TYR A 16 4.218 -8.624 0.639 1.00 0.00 C ATOM 219 O TYR A 16 3.453 -8.950 -0.269 1.00 0.00 O ATOM 220 CB TYR A 16 4.055 -6.187 1.177 1.00 0.00 C ATOM 221 CG TYR A 16 3.681 -6.403 2.626 1.00 0.00 C ATOM 222 CD1 TYR A 16 4.654 -6.657 3.585 1.00 0.00 C ATOM 223 CD2 TYR A 16 2.354 -6.354 3.037 1.00 0.00 C ATOM 224 CE1 TYR A 16 4.317 -6.856 4.910 1.00 0.00 C ATOM 225 CE2 TYR A 16 2.008 -6.550 4.359 1.00 0.00 C ATOM 226 CZ TYR A 16 2.993 -6.801 5.292 1.00 0.00 C ATOM 227 OH TYR A 16 2.652 -6.998 6.611 1.00 0.00 O ATOM 0 H TYR A 16 4.725 -7.283 -1.479 1.00 0.00 H new ATOM 0 HA TYR A 16 5.848 -7.370 1.219 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.565 -5.228 1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.145 -6.125 0.581 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.692 -6.700 3.289 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.580 -6.159 2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.086 -7.053 5.642 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.972 -6.507 4.661 1.00 0.00 H new ATOM 0 HH TYR A 16 1.680 -6.925 6.712 1.00 0.00 H new ATOM 237 N THR A 17 4.458 -9.397 1.695 1.00 0.00 N ATOM 238 CA THR A 17 3.823 -10.699 1.849 1.00 0.00 C ATOM 239 C THR A 17 2.678 -10.637 2.853 1.00 0.00 C ATOM 240 O THR A 17 2.890 -10.763 4.060 1.00 0.00 O ATOM 241 CB THR A 17 4.834 -11.767 2.305 1.00 0.00 C ATOM 242 OG1 THR A 17 5.927 -11.834 1.382 1.00 0.00 O ATOM 243 CG2 THR A 17 4.170 -13.132 2.412 1.00 0.00 C ATOM 0 H THR A 17 5.088 -9.143 2.456 1.00 0.00 H new ATOM 0 HA THR A 17 3.430 -10.976 0.871 1.00 0.00 H new ATOM 0 HB THR A 17 5.207 -11.484 3.289 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.566 -12.514 1.681 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.904 -13.870 2.736 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.358 -13.086 3.138 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.771 -13.420 1.439 1.00 0.00 H new ATOM 251 N LYS A 18 1.464 -10.444 2.349 1.00 0.00 N ATOM 252 CA LYS A 18 0.284 -10.368 3.202 1.00 0.00 C ATOM 253 C LYS A 18 0.386 -11.352 4.362 1.00 0.00 C ATOM 254 O LYS A 18 1.070 -12.372 4.266 1.00 0.00 O ATOM 255 CB LYS A 18 -0.979 -10.653 2.387 1.00 0.00 C ATOM 256 CG LYS A 18 -1.153 -12.119 2.027 1.00 0.00 C ATOM 257 CD LYS A 18 -2.613 -12.467 1.795 1.00 0.00 C ATOM 258 CE LYS A 18 -3.343 -12.712 3.107 1.00 0.00 C ATOM 259 NZ LYS A 18 -4.695 -13.297 2.888 1.00 0.00 N ATOM 0 H LYS A 18 1.271 -10.337 1.353 1.00 0.00 H new ATOM 0 HA LYS A 18 0.226 -9.359 3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.849 -10.321 2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.951 -10.063 1.471 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.577 -12.345 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.753 -12.741 2.828 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.100 -11.656 1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.681 -13.356 1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.753 -13.384 3.731 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.438 -11.772 3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.160 -13.449 3.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.267 -12.645 2.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.604 -14.206 2.391 1.00 0.00 H new ATOM 273 N VAL A 19 -0.299 -11.042 5.458 1.00 0.00 N ATOM 274 CA VAL A 19 -0.287 -11.901 6.636 1.00 0.00 C ATOM 275 C VAL A 19 -1.275 -13.052 6.487 1.00 0.00 C ATOM 276 O VAL A 19 -2.392 -12.884 5.997 1.00 0.00 O ATOM 277 CB VAL A 19 -0.627 -11.109 7.912 1.00 0.00 C ATOM 278 CG1 VAL A 19 -0.696 -12.037 9.115 1.00 0.00 C ATOM 279 CG2 VAL A 19 0.393 -10.003 8.140 1.00 0.00 C ATOM 0 H VAL A 19 -0.869 -10.202 5.555 1.00 0.00 H new ATOM 0 HA VAL A 19 0.723 -12.302 6.725 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.606 -10.648 7.782 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.937 -11.459 10.007 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.467 -12.789 8.950 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.267 -12.529 9.251 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.137 -9.453 9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.386 -10.440 8.249 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.388 -9.322 7.289 1.00 0.00 H new ATOM 289 N PRO A 20 -0.858 -14.251 6.920 1.00 0.00 N ATOM 290 CA PRO A 20 -1.692 -15.454 6.846 1.00 0.00 C ATOM 291 C PRO A 20 -2.868 -15.404 7.816 1.00 0.00 C ATOM 292 O PRO A 20 -2.709 -15.038 8.981 1.00 0.00 O ATOM 293 CB PRO A 20 -0.728 -16.578 7.232 1.00 0.00 C ATOM 294 CG PRO A 20 0.313 -15.915 8.066 1.00 0.00 C ATOM 295 CD PRO A 20 0.461 -14.524 7.515 1.00 0.00 C ATOM 0 HA PRO A 20 -2.141 -15.579 5.861 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -1.239 -17.364 7.788 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.290 -17.045 6.349 1.00 0.00 H new ATOM 0 HG2 PRO A 20 0.015 -15.890 9.114 1.00 0.00 H new ATOM 0 HG3 PRO A 20 1.257 -16.457 8.016 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.705 -13.806 8.298 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.256 -14.469 6.772 1.00 0.00 H new ATOM 303 N ASP A 21 -4.046 -15.775 7.329 1.00 0.00 N ATOM 304 CA ASP A 21 -5.249 -15.774 8.153 1.00 0.00 C ATOM 305 C ASP A 21 -5.625 -14.354 8.565 1.00 0.00 C ATOM 306 O ASP A 21 -5.826 -14.071 9.747 1.00 0.00 O ATOM 307 CB ASP A 21 -5.042 -16.641 9.396 1.00 0.00 C ATOM 308 CG ASP A 21 -4.123 -17.818 9.135 1.00 0.00 C ATOM 309 OD1 ASP A 21 -4.625 -18.879 8.708 1.00 0.00 O ATOM 310 OD2 ASP A 21 -2.901 -17.678 9.357 1.00 0.00 O ATOM 0 H ASP A 21 -4.194 -16.081 6.367 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.065 -16.189 7.561 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.626 -16.030 10.197 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.007 -17.008 9.744 1.00 0.00 H new ATOM 315 N THR A 22 -5.717 -13.463 7.583 1.00 0.00 N ATOM 316 CA THR A 22 -6.066 -12.072 7.842 1.00 0.00 C ATOM 317 C THR A 22 -6.600 -11.395 6.585 1.00 0.00 C ATOM 318 O THR A 22 -6.526 -11.952 5.490 1.00 0.00 O ATOM 319 CB THR A 22 -4.855 -11.277 8.365 1.00 0.00 C ATOM 320 OG1 THR A 22 -3.773 -11.364 7.431 1.00 0.00 O ATOM 321 CG2 THR A 22 -4.406 -11.803 9.720 1.00 0.00 C ATOM 0 H THR A 22 -5.554 -13.680 6.600 1.00 0.00 H new ATOM 0 HA THR A 22 -6.844 -12.079 8.605 1.00 0.00 H new ATOM 0 HB THR A 22 -5.154 -10.235 8.479 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.635 -12.300 7.176 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.550 -11.226 10.069 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.223 -11.709 10.436 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.124 -12.852 9.628 1.00 0.00 H new ATOM 329 N ASP A 23 -7.138 -10.192 6.750 1.00 0.00 N ATOM 330 CA ASP A 23 -7.683 -9.438 5.627 1.00 0.00 C ATOM 331 C ASP A 23 -6.565 -8.834 4.784 1.00 0.00 C ATOM 332 O ASP A 23 -6.775 -8.467 3.628 1.00 0.00 O ATOM 333 CB ASP A 23 -8.612 -8.332 6.131 1.00 0.00 C ATOM 334 CG ASP A 23 -10.049 -8.798 6.264 1.00 0.00 C ATOM 335 OD1 ASP A 23 -10.347 -9.533 7.229 1.00 0.00 O ATOM 336 OD2 ASP A 23 -10.875 -8.430 5.403 1.00 0.00 O ATOM 0 H ASP A 23 -7.209 -9.718 7.650 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.254 -10.126 5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.257 -7.977 7.099 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.570 -7.486 5.446 1.00 0.00 H new ATOM 341 N GLU A 24 -5.376 -8.734 5.371 1.00 0.00 N ATOM 342 CA GLU A 24 -4.225 -8.173 4.673 1.00 0.00 C ATOM 343 C GLU A 24 -4.156 -8.687 3.238 1.00 0.00 C ATOM 344 O GLU A 24 -4.576 -9.808 2.948 1.00 0.00 O ATOM 345 CB GLU A 24 -2.932 -8.520 5.414 1.00 0.00 C ATOM 346 CG GLU A 24 -2.801 -7.833 6.763 1.00 0.00 C ATOM 347 CD GLU A 24 -3.676 -8.465 7.827 1.00 0.00 C ATOM 348 OE1 GLU A 24 -4.878 -8.132 7.883 1.00 0.00 O ATOM 349 OE2 GLU A 24 -3.158 -9.294 8.605 1.00 0.00 O ATOM 0 H GLU A 24 -5.185 -9.034 6.327 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.340 -7.089 4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.885 -9.599 5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.081 -8.245 4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.760 -7.869 7.085 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.066 -6.781 6.658 1.00 0.00 H new ATOM 356 N ILE A 25 -3.623 -7.860 2.344 1.00 0.00 N ATOM 357 CA ILE A 25 -3.498 -8.231 0.940 1.00 0.00 C ATOM 358 C ILE A 25 -2.048 -8.142 0.475 1.00 0.00 C ATOM 359 O ILE A 25 -1.265 -7.350 0.999 1.00 0.00 O ATOM 360 CB ILE A 25 -4.369 -7.335 0.041 1.00 0.00 C ATOM 361 CG1 ILE A 25 -3.965 -5.868 0.201 1.00 0.00 C ATOM 362 CG2 ILE A 25 -5.842 -7.524 0.374 1.00 0.00 C ATOM 363 CD1 ILE A 25 -4.431 -4.985 -0.935 1.00 0.00 C ATOM 0 H ILE A 25 -3.271 -6.929 2.567 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.842 -9.262 0.854 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.211 -7.624 -0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.373 -5.487 1.137 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -2.880 -5.805 0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.446 -6.884 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.120 -8.566 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.016 -7.258 1.417 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.109 -3.959 -0.754 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.002 -5.340 -1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.519 -5.018 -0.999 1.00 0.00 H new ATOM 375 N SER A 26 -1.698 -8.959 -0.513 1.00 0.00 N ATOM 376 CA SER A 26 -0.342 -8.975 -1.048 1.00 0.00 C ATOM 377 C SER A 26 -0.248 -8.130 -2.315 1.00 0.00 C ATOM 378 O SER A 26 -1.138 -8.165 -3.165 1.00 0.00 O ATOM 379 CB SER A 26 0.097 -10.410 -1.344 1.00 0.00 C ATOM 380 OG SER A 26 -0.758 -11.017 -2.298 1.00 0.00 O ATOM 0 H SER A 26 -2.335 -9.619 -0.959 1.00 0.00 H new ATOM 0 HA SER A 26 0.323 -8.548 -0.297 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.122 -10.411 -1.716 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.092 -10.993 -0.423 1.00 0.00 H new ATOM 0 HG SER A 26 -0.456 -11.933 -2.472 1.00 0.00 H new ATOM 386 N PHE A 27 0.837 -7.372 -2.435 1.00 0.00 N ATOM 387 CA PHE A 27 1.048 -6.517 -3.597 1.00 0.00 C ATOM 388 C PHE A 27 2.478 -6.646 -4.114 1.00 0.00 C ATOM 389 O PHE A 27 3.329 -7.264 -3.474 1.00 0.00 O ATOM 390 CB PHE A 27 0.750 -5.059 -3.245 1.00 0.00 C ATOM 391 CG PHE A 27 1.276 -4.647 -1.900 1.00 0.00 C ATOM 392 CD1 PHE A 27 0.529 -4.862 -0.753 1.00 0.00 C ATOM 393 CD2 PHE A 27 2.519 -4.045 -1.782 1.00 0.00 C ATOM 394 CE1 PHE A 27 1.011 -4.483 0.485 1.00 0.00 C ATOM 395 CE2 PHE A 27 3.006 -3.665 -0.546 1.00 0.00 C ATOM 396 CZ PHE A 27 2.251 -3.885 0.589 1.00 0.00 C ATOM 0 H PHE A 27 1.584 -7.333 -1.741 1.00 0.00 H new ATOM 0 HA PHE A 27 0.366 -6.840 -4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.183 -4.413 -4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.328 -4.901 -3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.441 -5.331 -0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.114 -3.871 -2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.418 -4.654 1.371 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.976 -3.197 -0.468 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.630 -3.590 1.556 1.00 0.00 H new ATOM 406 N LEU A 28 2.735 -6.057 -5.277 1.00 0.00 N ATOM 407 CA LEU A 28 4.061 -6.105 -5.882 1.00 0.00 C ATOM 408 C LEU A 28 4.569 -4.701 -6.192 1.00 0.00 C ATOM 409 O LEU A 28 3.784 -3.779 -6.414 1.00 0.00 O ATOM 410 CB LEU A 28 4.030 -6.942 -7.162 1.00 0.00 C ATOM 411 CG LEU A 28 3.621 -8.406 -6.997 1.00 0.00 C ATOM 412 CD1 LEU A 28 3.250 -9.012 -8.341 1.00 0.00 C ATOM 413 CD2 LEU A 28 4.740 -9.202 -6.341 1.00 0.00 C ATOM 0 H LEU A 28 2.042 -5.541 -5.819 1.00 0.00 H new ATOM 0 HA LEU A 28 4.742 -6.569 -5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.342 -6.470 -7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.020 -6.911 -7.616 1.00 0.00 H new ATOM 0 HG LEU A 28 2.745 -8.447 -6.349 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.962 -10.054 -8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.415 -8.459 -8.772 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.106 -8.958 -9.013 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.431 -10.242 -6.232 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.634 -9.153 -6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.957 -8.783 -5.359 1.00 0.00 H new ATOM 425 N LYS A 29 5.889 -4.545 -6.208 1.00 0.00 N ATOM 426 CA LYS A 29 6.504 -3.254 -6.494 1.00 0.00 C ATOM 427 C LYS A 29 5.832 -2.584 -7.688 1.00 0.00 C ATOM 428 O LYS A 29 5.751 -3.162 -8.772 1.00 0.00 O ATOM 429 CB LYS A 29 8.000 -3.428 -6.767 1.00 0.00 C ATOM 430 CG LYS A 29 8.679 -2.161 -7.258 1.00 0.00 C ATOM 431 CD LYS A 29 10.118 -2.425 -7.670 1.00 0.00 C ATOM 432 CE LYS A 29 10.876 -1.128 -7.910 1.00 0.00 C ATOM 433 NZ LYS A 29 10.288 -0.341 -9.030 1.00 0.00 N ATOM 0 H LYS A 29 6.553 -5.297 -6.026 1.00 0.00 H new ATOM 0 HA LYS A 29 6.373 -2.615 -5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 29 8.491 -3.763 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.137 -4.215 -7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.126 -1.755 -8.105 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.657 -1.407 -6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.620 -3.003 -6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.133 -3.030 -8.577 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.866 -0.528 -7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.919 -1.353 -8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.862 0.510 -9.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.274 -0.922 -9.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.317 -0.061 -8.785 1.00 0.00 H new ATOM 447 N GLY A 30 5.353 -1.361 -7.483 1.00 0.00 N ATOM 448 CA GLY A 30 4.696 -0.633 -8.553 1.00 0.00 C ATOM 449 C GLY A 30 3.185 -0.661 -8.431 1.00 0.00 C ATOM 450 O GLY A 30 2.490 0.142 -9.054 1.00 0.00 O ATOM 0 H GLY A 30 5.408 -0.861 -6.595 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.039 0.402 -8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.988 -1.061 -9.512 1.00 0.00 H new ATOM 454 N ASP A 31 2.676 -1.589 -7.629 1.00 0.00 N ATOM 455 CA ASP A 31 1.237 -1.720 -7.428 1.00 0.00 C ATOM 456 C ASP A 31 0.674 -0.491 -6.720 1.00 0.00 C ATOM 457 O ASP A 31 1.051 -0.187 -5.589 1.00 0.00 O ATOM 458 CB ASP A 31 0.926 -2.979 -6.617 1.00 0.00 C ATOM 459 CG ASP A 31 0.937 -4.233 -7.468 1.00 0.00 C ATOM 460 OD1 ASP A 31 2.010 -4.576 -8.006 1.00 0.00 O ATOM 461 OD2 ASP A 31 -0.129 -4.872 -7.597 1.00 0.00 O ATOM 0 H ASP A 31 3.238 -2.262 -7.107 1.00 0.00 H new ATOM 0 HA ASP A 31 0.764 -1.802 -8.406 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.657 -3.081 -5.815 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.051 -2.872 -6.146 1.00 0.00 H new ATOM 466 N MET A 32 -0.231 0.210 -7.395 1.00 0.00 N ATOM 467 CA MET A 32 -0.847 1.406 -6.830 1.00 0.00 C ATOM 468 C MET A 32 -1.993 1.036 -5.894 1.00 0.00 C ATOM 469 O MET A 32 -2.347 -0.135 -5.762 1.00 0.00 O ATOM 470 CB MET A 32 -1.359 2.318 -7.946 1.00 0.00 C ATOM 471 CG MET A 32 -0.301 3.265 -8.490 1.00 0.00 C ATOM 472 SD MET A 32 -0.617 3.752 -10.197 1.00 0.00 S ATOM 473 CE MET A 32 -0.189 5.491 -10.138 1.00 0.00 C ATOM 0 H MET A 32 -0.554 -0.029 -8.333 1.00 0.00 H new ATOM 0 HA MET A 32 -0.089 1.938 -6.255 1.00 0.00 H new ATOM 0 HB2 MET A 32 -1.738 1.703 -8.762 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.199 2.902 -7.570 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.260 4.156 -7.864 1.00 0.00 H new ATOM 0 HG3 MET A 32 0.676 2.786 -8.428 1.00 0.00 H new ATOM 0 HE1 MET A 32 -0.417 5.954 -11.098 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.765 5.981 -9.353 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.875 5.597 -9.927 1.00 0.00 H new ATOM 483 N PHE A 33 -2.569 2.043 -5.245 1.00 0.00 N ATOM 484 CA PHE A 33 -3.675 1.823 -4.320 1.00 0.00 C ATOM 485 C PHE A 33 -4.522 3.084 -4.176 1.00 0.00 C ATOM 486 O PHE A 33 -4.165 4.146 -4.686 1.00 0.00 O ATOM 487 CB PHE A 33 -3.144 1.393 -2.951 1.00 0.00 C ATOM 488 CG PHE A 33 -2.072 0.343 -3.026 1.00 0.00 C ATOM 489 CD1 PHE A 33 -2.402 -1.002 -3.037 1.00 0.00 C ATOM 490 CD2 PHE A 33 -0.735 0.702 -3.085 1.00 0.00 C ATOM 491 CE1 PHE A 33 -1.418 -1.971 -3.106 1.00 0.00 C ATOM 492 CE2 PHE A 33 0.252 -0.262 -3.156 1.00 0.00 C ATOM 493 CZ PHE A 33 -0.089 -1.600 -3.165 1.00 0.00 C ATOM 0 H PHE A 33 -2.288 3.019 -5.343 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.303 1.029 -4.725 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.750 2.267 -2.432 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.972 1.013 -2.352 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.440 -1.297 -2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.462 1.747 -3.075 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.688 -3.017 -3.114 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.290 0.031 -3.204 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.682 -2.355 -3.218 1.00 0.00 H new ATOM 503 N ILE A 34 -5.646 2.957 -3.479 1.00 0.00 N ATOM 504 CA ILE A 34 -6.545 4.086 -3.268 1.00 0.00 C ATOM 505 C ILE A 34 -6.974 4.180 -1.808 1.00 0.00 C ATOM 506 O ILE A 34 -7.953 3.558 -1.395 1.00 0.00 O ATOM 507 CB ILE A 34 -7.800 3.980 -4.154 1.00 0.00 C ATOM 508 CG1 ILE A 34 -7.405 3.950 -5.632 1.00 0.00 C ATOM 509 CG2 ILE A 34 -8.744 5.140 -3.876 1.00 0.00 C ATOM 510 CD1 ILE A 34 -8.535 3.540 -6.551 1.00 0.00 C ATOM 0 H ILE A 34 -5.956 2.085 -3.051 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.993 4.985 -3.541 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.318 3.051 -3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.049 4.938 -5.925 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.572 3.259 -5.763 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.626 5.051 -4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -9.046 5.120 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.237 6.081 -4.090 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.183 3.541 -7.583 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.876 2.540 -6.284 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.361 4.244 -6.449 1.00 0.00 H new ATOM 522 N VAL A 35 -6.236 4.965 -1.029 1.00 0.00 N ATOM 523 CA VAL A 35 -6.542 5.145 0.385 1.00 0.00 C ATOM 524 C VAL A 35 -8.006 5.517 0.588 1.00 0.00 C ATOM 525 O VAL A 35 -8.503 6.474 -0.006 1.00 0.00 O ATOM 526 CB VAL A 35 -5.654 6.234 1.018 1.00 0.00 C ATOM 527 CG1 VAL A 35 -6.057 6.477 2.464 1.00 0.00 C ATOM 528 CG2 VAL A 35 -4.186 5.846 0.922 1.00 0.00 C ATOM 0 H VAL A 35 -5.422 5.486 -1.354 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.341 4.193 0.875 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.797 7.163 0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.419 7.249 2.895 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.097 6.802 2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.944 5.554 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.573 6.626 1.374 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.023 4.906 1.449 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.909 5.728 -0.125 1.00 0.00 H new ATOM 538 N HIS A 36 -8.693 4.754 1.432 1.00 0.00 N ATOM 539 CA HIS A 36 -10.102 5.004 1.715 1.00 0.00 C ATOM 540 C HIS A 36 -10.303 5.386 3.179 1.00 0.00 C ATOM 541 O HIS A 36 -10.957 6.382 3.486 1.00 0.00 O ATOM 542 CB HIS A 36 -10.938 3.769 1.380 1.00 0.00 C ATOM 543 CG HIS A 36 -11.027 3.486 -0.089 1.00 0.00 C ATOM 544 ND1 HIS A 36 -10.451 2.519 -0.840 1.00 0.00 N flip ATOM 545 CD2 HIS A 36 -11.778 4.249 -0.958 1.00 0.00 C flip ATOM 546 CE1 HIS A 36 -10.862 2.712 -2.136 1.00 0.00 C flip ATOM 547 NE2 HIS A 36 -11.662 3.762 -2.180 1.00 0.00 N flip ATOM 0 H HIS A 36 -8.297 3.958 1.932 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.430 5.836 1.092 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.509 2.903 1.883 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -11.944 3.903 1.778 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -12.369 5.110 -0.682 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.577 2.104 -2.982 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -12.113 4.134 -3.016 1.00 0.00 H new ATOM 555 N ASN A 37 -9.735 4.588 4.077 1.00 0.00 N ATOM 556 CA ASN A 37 -9.854 4.842 5.508 1.00 0.00 C ATOM 557 C ASN A 37 -8.508 5.251 6.101 1.00 0.00 C ATOM 558 O ASN A 37 -7.466 4.718 5.722 1.00 0.00 O ATOM 559 CB ASN A 37 -10.384 3.600 6.226 1.00 0.00 C ATOM 560 CG ASN A 37 -11.162 3.945 7.481 1.00 0.00 C ATOM 561 OD1 ASN A 37 -12.393 3.978 7.473 1.00 0.00 O ATOM 562 ND2 ASN A 37 -10.445 4.206 8.569 1.00 0.00 N ATOM 0 H ASN A 37 -9.188 3.760 3.839 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.558 5.662 5.649 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -11.025 3.038 5.547 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.549 2.950 6.487 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.913 4.445 9.443 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.426 4.167 8.530 1.00 0.00 H new ATOM 569 N GLU A 38 -8.541 6.198 7.033 1.00 0.00 N ATOM 570 CA GLU A 38 -7.324 6.677 7.678 1.00 0.00 C ATOM 571 C GLU A 38 -7.229 6.162 9.111 1.00 0.00 C ATOM 572 O GLU A 38 -7.920 6.651 10.006 1.00 0.00 O ATOM 573 CB GLU A 38 -7.285 8.207 7.670 1.00 0.00 C ATOM 574 CG GLU A 38 -6.889 8.799 6.328 1.00 0.00 C ATOM 575 CD GLU A 38 -6.522 10.267 6.423 1.00 0.00 C ATOM 576 OE1 GLU A 38 -5.458 10.575 7.000 1.00 0.00 O ATOM 577 OE2 GLU A 38 -7.297 11.107 5.922 1.00 0.00 O ATOM 0 H GLU A 38 -9.396 6.648 7.358 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.471 6.296 7.116 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.267 8.588 7.950 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.582 8.548 8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.043 8.242 5.925 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.713 8.679 5.625 1.00 0.00 H new ATOM 584 N LEU A 39 -6.369 5.171 9.321 1.00 0.00 N ATOM 585 CA LEU A 39 -6.182 4.588 10.645 1.00 0.00 C ATOM 586 C LEU A 39 -4.806 4.936 11.204 1.00 0.00 C ATOM 587 O LEU A 39 -3.935 5.414 10.479 1.00 0.00 O ATOM 588 CB LEU A 39 -6.352 3.069 10.584 1.00 0.00 C ATOM 589 CG LEU A 39 -7.567 2.561 9.808 1.00 0.00 C ATOM 590 CD1 LEU A 39 -7.229 2.397 8.334 1.00 0.00 C ATOM 591 CD2 LEU A 39 -8.061 1.246 10.393 1.00 0.00 C ATOM 0 H LEU A 39 -5.790 4.755 8.591 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.939 5.005 11.309 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.455 2.641 10.137 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.412 2.689 11.604 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.365 3.298 9.897 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.106 2.035 7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.923 3.359 7.922 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.415 1.680 8.225 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.926 0.899 9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.267 0.501 10.335 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.344 1.395 11.435 1.00 0.00 H new ATOM 603 N GLU A 40 -4.619 4.690 12.497 1.00 0.00 N ATOM 604 CA GLU A 40 -3.348 4.975 13.152 1.00 0.00 C ATOM 605 C GLU A 40 -2.462 3.733 13.186 1.00 0.00 C ATOM 606 O GLU A 40 -2.816 2.690 12.636 1.00 0.00 O ATOM 607 CB GLU A 40 -3.585 5.485 14.575 1.00 0.00 C ATOM 608 CG GLU A 40 -3.838 6.981 14.652 1.00 0.00 C ATOM 609 CD GLU A 40 -2.555 7.785 14.739 1.00 0.00 C ATOM 610 OE1 GLU A 40 -1.955 7.827 15.834 1.00 0.00 O ATOM 611 OE2 GLU A 40 -2.151 8.372 13.713 1.00 0.00 O ATOM 0 H GLU A 40 -5.331 4.294 13.111 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.838 5.748 12.577 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.438 4.958 15.003 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.718 5.240 15.189 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.401 7.296 13.774 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.458 7.197 15.522 1.00 0.00 H new ATOM 618 N ASP A 41 -1.309 3.854 13.834 1.00 0.00 N ATOM 619 CA ASP A 41 -0.371 2.742 13.941 1.00 0.00 C ATOM 620 C ASP A 41 0.123 2.315 12.562 1.00 0.00 C ATOM 621 O ASP A 41 0.368 1.134 12.318 1.00 0.00 O ATOM 622 CB ASP A 41 -1.030 1.558 14.650 1.00 0.00 C ATOM 623 CG ASP A 41 -1.470 1.899 16.059 1.00 0.00 C ATOM 624 OD1 ASP A 41 -0.673 2.516 16.797 1.00 0.00 O ATOM 625 OD2 ASP A 41 -2.612 1.550 16.426 1.00 0.00 O ATOM 0 H ASP A 41 -1.001 4.711 14.293 1.00 0.00 H new ATOM 0 HA ASP A 41 0.485 3.075 14.527 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.894 1.228 14.073 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.330 0.723 14.683 1.00 0.00 H new ATOM 630 N GLY A 42 0.268 3.284 11.664 1.00 0.00 N ATOM 631 CA GLY A 42 0.731 2.988 10.321 1.00 0.00 C ATOM 632 C GLY A 42 -0.155 1.985 9.610 1.00 0.00 C ATOM 633 O GLY A 42 0.248 0.844 9.380 1.00 0.00 O ATOM 0 H GLY A 42 0.073 4.269 11.843 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.768 3.910 9.741 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.749 2.600 10.368 1.00 0.00 H new ATOM 637 N TRP A 43 -1.365 2.408 9.262 1.00 0.00 N ATOM 638 CA TRP A 43 -2.311 1.537 8.574 1.00 0.00 C ATOM 639 C TRP A 43 -3.415 2.351 7.908 1.00 0.00 C ATOM 640 O TRP A 43 -3.958 3.281 8.504 1.00 0.00 O ATOM 641 CB TRP A 43 -2.921 0.536 9.557 1.00 0.00 C ATOM 642 CG TRP A 43 -1.923 -0.438 10.108 1.00 0.00 C ATOM 643 CD1 TRP A 43 -1.425 -0.470 11.379 1.00 0.00 C ATOM 644 CD2 TRP A 43 -1.303 -1.519 9.404 1.00 0.00 C ATOM 645 NE1 TRP A 43 -0.531 -1.506 11.508 1.00 0.00 N ATOM 646 CE2 TRP A 43 -0.440 -2.165 10.311 1.00 0.00 C ATOM 647 CE3 TRP A 43 -1.394 -2.006 8.097 1.00 0.00 C ATOM 648 CZ2 TRP A 43 0.327 -3.270 9.950 1.00 0.00 C ATOM 649 CZ3 TRP A 43 -0.632 -3.103 7.741 1.00 0.00 C ATOM 650 CH2 TRP A 43 0.218 -3.726 8.664 1.00 0.00 C ATOM 0 H TRP A 43 -1.714 3.349 9.445 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.770 0.993 7.800 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.380 1.081 10.382 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.718 -0.015 9.057 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.694 0.218 12.167 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.019 -1.745 12.357 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.048 -1.534 7.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 0.985 -3.750 10.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -0.693 -3.487 6.733 1.00 0.00 H new ATOM 0 HH2 TRP A 43 0.799 -4.583 8.355 1.00 0.00 H new ATOM 661 N MET A 44 -3.742 1.995 6.670 1.00 0.00 N ATOM 662 CA MET A 44 -4.783 2.693 5.925 1.00 0.00 C ATOM 663 C MET A 44 -5.509 1.738 4.982 1.00 0.00 C ATOM 664 O MET A 44 -4.880 1.033 4.193 1.00 0.00 O ATOM 665 CB MET A 44 -4.181 3.853 5.130 1.00 0.00 C ATOM 666 CG MET A 44 -2.963 4.476 5.794 1.00 0.00 C ATOM 667 SD MET A 44 -2.356 5.925 4.909 1.00 0.00 S ATOM 668 CE MET A 44 -1.236 5.162 3.737 1.00 0.00 C ATOM 0 H MET A 44 -3.301 1.228 6.162 1.00 0.00 H new ATOM 0 HA MET A 44 -5.504 3.088 6.640 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.902 3.497 4.138 1.00 0.00 H new ATOM 0 HB3 MET A 44 -4.942 4.621 4.991 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.216 4.758 6.816 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.168 3.733 5.856 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.780 5.932 3.115 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.457 4.623 4.276 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.789 4.466 3.106 1.00 0.00 H new ATOM 678 N TRP A 45 -6.834 1.721 5.069 1.00 0.00 N ATOM 679 CA TRP A 45 -7.644 0.853 4.223 1.00 0.00 C ATOM 680 C TRP A 45 -7.604 1.315 2.771 1.00 0.00 C ATOM 681 O TRP A 45 -8.281 2.273 2.395 1.00 0.00 O ATOM 682 CB TRP A 45 -9.090 0.824 4.722 1.00 0.00 C ATOM 683 CG TRP A 45 -9.896 -0.300 4.145 1.00 0.00 C ATOM 684 CD1 TRP A 45 -10.593 -0.290 2.971 1.00 0.00 C ATOM 685 CD2 TRP A 45 -10.088 -1.598 4.718 1.00 0.00 C ATOM 686 NE1 TRP A 45 -11.208 -1.504 2.780 1.00 0.00 N ATOM 687 CE2 TRP A 45 -10.913 -2.324 3.837 1.00 0.00 C ATOM 688 CE3 TRP A 45 -9.642 -2.218 5.888 1.00 0.00 C ATOM 689 CZ2 TRP A 45 -11.300 -3.637 4.091 1.00 0.00 C ATOM 690 CZ3 TRP A 45 -10.028 -3.521 6.140 1.00 0.00 C ATOM 691 CH2 TRP A 45 -10.849 -4.220 5.245 1.00 0.00 C ATOM 0 H TRP A 45 -7.370 2.298 5.717 1.00 0.00 H new ATOM 0 HA TRP A 45 -7.228 -0.153 4.276 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -9.090 0.741 5.809 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -9.571 1.770 4.475 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -10.652 0.548 2.293 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -11.790 -1.754 1.981 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -9.007 -1.689 6.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -11.933 -4.177 3.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -9.691 -4.009 7.043 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -11.131 -5.238 5.470 1.00 0.00 H new ATOM 702 N VAL A 46 -6.807 0.630 1.957 1.00 0.00 N ATOM 703 CA VAL A 46 -6.680 0.970 0.545 1.00 0.00 C ATOM 704 C VAL A 46 -7.259 -0.129 -0.339 1.00 0.00 C ATOM 705 O VAL A 46 -7.575 -1.221 0.134 1.00 0.00 O ATOM 706 CB VAL A 46 -5.209 1.206 0.155 1.00 0.00 C ATOM 707 CG1 VAL A 46 -4.525 2.106 1.172 1.00 0.00 C ATOM 708 CG2 VAL A 46 -4.474 -0.119 0.023 1.00 0.00 C ATOM 0 H VAL A 46 -6.239 -0.164 2.252 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.242 1.891 0.389 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.183 1.707 -0.813 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.486 2.262 0.880 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.039 3.067 1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.559 1.636 2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.436 0.067 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.507 -0.650 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.951 -0.725 -0.747 1.00 0.00 H new ATOM 718 N THR A 47 -7.396 0.167 -1.628 1.00 0.00 N ATOM 719 CA THR A 47 -7.937 -0.795 -2.580 1.00 0.00 C ATOM 720 C THR A 47 -7.010 -0.964 -3.778 1.00 0.00 C ATOM 721 O THR A 47 -7.022 -0.154 -4.703 1.00 0.00 O ATOM 722 CB THR A 47 -9.330 -0.367 -3.080 1.00 0.00 C ATOM 723 OG1 THR A 47 -10.195 -0.117 -1.966 1.00 0.00 O ATOM 724 CG2 THR A 47 -9.939 -1.441 -3.969 1.00 0.00 C ATOM 0 H THR A 47 -7.140 1.066 -2.036 1.00 0.00 H new ATOM 0 HA THR A 47 -8.023 -1.746 -2.054 1.00 0.00 H new ATOM 0 HB THR A 47 -9.217 0.546 -3.664 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.888 0.680 -1.486 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.922 -1.117 -4.310 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.293 -1.609 -4.831 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.039 -2.368 -3.404 1.00 0.00 H new ATOM 732 N ASN A 48 -6.208 -2.024 -3.754 1.00 0.00 N ATOM 733 CA ASN A 48 -5.273 -2.299 -4.840 1.00 0.00 C ATOM 734 C ASN A 48 -5.946 -2.113 -6.196 1.00 0.00 C ATOM 735 O ASN A 48 -7.135 -2.393 -6.356 1.00 0.00 O ATOM 736 CB ASN A 48 -4.726 -3.723 -4.720 1.00 0.00 C ATOM 737 CG ASN A 48 -3.388 -3.888 -5.414 1.00 0.00 C ATOM 738 OD1 ASN A 48 -3.175 -3.366 -6.508 1.00 0.00 O ATOM 739 ND2 ASN A 48 -2.478 -4.618 -4.779 1.00 0.00 N ATOM 0 H ASN A 48 -6.187 -2.706 -2.996 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.447 -1.592 -4.764 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.620 -3.981 -3.666 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.444 -4.422 -5.149 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.559 -4.764 -5.197 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.698 -5.032 -3.873 1.00 0.00 H new ATOM 746 N LEU A 49 -5.177 -1.641 -7.171 1.00 0.00 N ATOM 747 CA LEU A 49 -5.698 -1.418 -8.516 1.00 0.00 C ATOM 748 C LEU A 49 -5.397 -2.609 -9.421 1.00 0.00 C ATOM 749 O LEU A 49 -6.033 -2.789 -10.459 1.00 0.00 O ATOM 750 CB LEU A 49 -5.096 -0.145 -9.112 1.00 0.00 C ATOM 751 CG LEU A 49 -5.339 1.145 -8.327 1.00 0.00 C ATOM 752 CD1 LEU A 49 -4.534 2.291 -8.919 1.00 0.00 C ATOM 753 CD2 LEU A 49 -6.822 1.486 -8.310 1.00 0.00 C ATOM 0 H LEU A 49 -4.191 -1.405 -7.056 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.780 -1.303 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.020 -0.288 -9.212 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.495 -0.015 -10.118 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.009 0.990 -7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.720 3.200 -8.347 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.472 2.048 -8.879 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.832 2.447 -9.956 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.977 2.407 -7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.176 1.621 -9.332 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.377 0.675 -7.838 1.00 0.00 H new ATOM 765 N ARG A 50 -4.424 -3.420 -9.019 1.00 0.00 N ATOM 766 CA ARG A 50 -4.039 -4.594 -9.792 1.00 0.00 C ATOM 767 C ARG A 50 -4.884 -5.803 -9.402 1.00 0.00 C ATOM 768 O ARG A 50 -5.311 -6.579 -10.257 1.00 0.00 O ATOM 769 CB ARG A 50 -2.556 -4.905 -9.583 1.00 0.00 C ATOM 770 CG ARG A 50 -2.030 -6.004 -10.493 1.00 0.00 C ATOM 771 CD ARG A 50 -2.199 -7.378 -9.862 1.00 0.00 C ATOM 772 NE ARG A 50 -1.130 -7.679 -8.913 1.00 0.00 N ATOM 773 CZ ARG A 50 -0.985 -8.858 -8.320 1.00 0.00 C ATOM 774 NH1 ARG A 50 -1.835 -9.843 -8.577 1.00 0.00 N ATOM 775 NH2 ARG A 50 0.014 -9.056 -7.468 1.00 0.00 N ATOM 0 H ARG A 50 -3.888 -3.285 -8.162 1.00 0.00 H new ATOM 0 HA ARG A 50 -4.212 -4.377 -10.846 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.976 -3.997 -9.751 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.398 -5.197 -8.545 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.558 -5.973 -11.446 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.976 -5.828 -10.707 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.161 -7.427 -9.352 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.214 -8.137 -10.644 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.458 -6.943 -8.694 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.603 -9.696 -9.232 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.721 -10.748 -8.120 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.671 -8.302 -7.268 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.124 -9.962 -7.013 1.00 0.00 H new ATOM 789 N THR A 51 -5.121 -5.958 -8.103 1.00 0.00 N ATOM 790 CA THR A 51 -5.913 -7.073 -7.598 1.00 0.00 C ATOM 791 C THR A 51 -7.353 -6.650 -7.335 1.00 0.00 C ATOM 792 O THR A 51 -8.244 -7.490 -7.207 1.00 0.00 O ATOM 793 CB THR A 51 -5.313 -7.646 -6.300 1.00 0.00 C ATOM 794 OG1 THR A 51 -5.571 -6.758 -5.207 1.00 0.00 O ATOM 795 CG2 THR A 51 -3.813 -7.857 -6.445 1.00 0.00 C ATOM 0 H THR A 51 -4.776 -5.325 -7.381 1.00 0.00 H new ATOM 0 HA THR A 51 -5.899 -7.845 -8.368 1.00 0.00 H new ATOM 0 HB THR A 51 -5.783 -8.610 -6.103 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.188 -7.130 -4.385 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.411 -8.262 -5.516 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.621 -8.556 -7.259 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.331 -6.904 -6.664 1.00 0.00 H new ATOM 803 N ASP A 52 -7.576 -5.342 -7.256 1.00 0.00 N ATOM 804 CA ASP A 52 -8.910 -4.807 -7.010 1.00 0.00 C ATOM 805 C ASP A 52 -9.498 -5.384 -5.726 1.00 0.00 C ATOM 806 O ASP A 52 -10.681 -5.718 -5.669 1.00 0.00 O ATOM 807 CB ASP A 52 -9.832 -5.115 -8.191 1.00 0.00 C ATOM 808 CG ASP A 52 -9.157 -4.881 -9.528 1.00 0.00 C ATOM 809 OD1 ASP A 52 -8.444 -5.791 -9.999 1.00 0.00 O ATOM 810 OD2 ASP A 52 -9.341 -3.788 -10.103 1.00 0.00 O ATOM 0 H ASP A 52 -6.850 -4.633 -7.359 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.826 -3.726 -6.897 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.162 -6.152 -8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.724 -4.493 -8.124 1.00 0.00 H new ATOM 815 N GLU A 53 -8.663 -5.498 -4.697 1.00 0.00 N ATOM 816 CA GLU A 53 -9.101 -6.036 -3.415 1.00 0.00 C ATOM 817 C GLU A 53 -8.847 -5.037 -2.290 1.00 0.00 C ATOM 818 O GLU A 53 -8.147 -4.042 -2.477 1.00 0.00 O ATOM 819 CB GLU A 53 -8.379 -7.352 -3.115 1.00 0.00 C ATOM 820 CG GLU A 53 -8.817 -8.502 -4.006 1.00 0.00 C ATOM 821 CD GLU A 53 -8.648 -9.853 -3.339 1.00 0.00 C ATOM 822 OE1 GLU A 53 -7.678 -10.018 -2.570 1.00 0.00 O ATOM 823 OE2 GLU A 53 -9.486 -10.746 -3.585 1.00 0.00 O ATOM 0 H GLU A 53 -7.681 -5.225 -4.727 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.173 -6.223 -3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.305 -7.202 -3.230 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.553 -7.623 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -9.863 -8.365 -4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.239 -8.482 -4.930 1.00 0.00 H new ATOM 830 N GLN A 54 -9.423 -5.309 -1.123 1.00 0.00 N ATOM 831 CA GLN A 54 -9.260 -4.433 0.031 1.00 0.00 C ATOM 832 C GLN A 54 -8.389 -5.092 1.096 1.00 0.00 C ATOM 833 O GLN A 54 -8.337 -6.316 1.199 1.00 0.00 O ATOM 834 CB GLN A 54 -10.625 -4.074 0.622 1.00 0.00 C ATOM 835 CG GLN A 54 -11.635 -3.614 -0.417 1.00 0.00 C ATOM 836 CD GLN A 54 -13.068 -3.844 0.021 1.00 0.00 C ATOM 837 OE1 GLN A 54 -13.403 -3.691 1.196 1.00 0.00 O ATOM 838 NE2 GLN A 54 -13.924 -4.214 -0.924 1.00 0.00 N ATOM 0 H GLN A 54 -10.006 -6.128 -0.952 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.765 -3.521 -0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.025 -4.942 1.146 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -10.495 -3.286 1.364 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -11.486 -2.553 -0.618 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -11.455 -4.144 -1.352 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -13.604 -4.329 -1.886 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -14.902 -4.383 -0.688 1.00 0.00 H new ATOM 847 N GLY A 55 -7.706 -4.269 1.886 1.00 0.00 N ATOM 848 CA GLY A 55 -6.845 -4.791 2.932 1.00 0.00 C ATOM 849 C GLY A 55 -6.136 -3.693 3.700 1.00 0.00 C ATOM 850 O GLY A 55 -6.358 -2.507 3.451 1.00 0.00 O ATOM 0 H GLY A 55 -7.733 -3.251 1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.439 -5.388 3.623 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.104 -5.458 2.490 1.00 0.00 H new ATOM 854 N LEU A 56 -5.281 -4.087 4.637 1.00 0.00 N ATOM 855 CA LEU A 56 -4.536 -3.127 5.445 1.00 0.00 C ATOM 856 C LEU A 56 -3.070 -3.084 5.027 1.00 0.00 C ATOM 857 O LEU A 56 -2.409 -4.120 4.939 1.00 0.00 O ATOM 858 CB LEU A 56 -4.646 -3.487 6.928 1.00 0.00 C ATOM 859 CG LEU A 56 -6.060 -3.519 7.509 1.00 0.00 C ATOM 860 CD1 LEU A 56 -6.091 -4.332 8.794 1.00 0.00 C ATOM 861 CD2 LEU A 56 -6.567 -2.106 7.756 1.00 0.00 C ATOM 0 H LEU A 56 -5.086 -5.064 4.856 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.969 -2.140 5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.191 -4.466 7.078 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.056 -2.770 7.500 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.719 -3.998 6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.105 -4.344 9.193 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.771 -5.353 8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.419 -3.883 9.525 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.575 -2.148 8.169 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -5.907 -1.600 8.460 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -6.584 -1.556 6.815 1.00 0.00 H new ATOM 873 N ILE A 57 -2.568 -1.881 4.774 1.00 0.00 N ATOM 874 CA ILE A 57 -1.179 -1.703 4.368 1.00 0.00 C ATOM 875 C ILE A 57 -0.479 -0.668 5.242 1.00 0.00 C ATOM 876 O ILE A 57 -1.113 0.249 5.766 1.00 0.00 O ATOM 877 CB ILE A 57 -1.073 -1.270 2.894 1.00 0.00 C ATOM 878 CG1 ILE A 57 -1.743 0.090 2.691 1.00 0.00 C ATOM 879 CG2 ILE A 57 -1.703 -2.318 1.988 1.00 0.00 C ATOM 880 CD1 ILE A 57 -1.126 0.907 1.577 1.00 0.00 C ATOM 0 H ILE A 57 -3.102 -1.015 4.843 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.689 -2.669 4.490 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.019 -1.178 2.632 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.800 -0.063 2.475 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.686 0.656 3.621 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.620 -1.998 0.949 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.186 -3.269 2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.755 -2.439 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.651 1.858 1.490 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.075 1.092 1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.207 0.361 0.637 1.00 0.00 H new ATOM 892 N VAL A 58 0.833 -0.819 5.395 1.00 0.00 N ATOM 893 CA VAL A 58 1.620 0.104 6.203 1.00 0.00 C ATOM 894 C VAL A 58 2.228 1.206 5.342 1.00 0.00 C ATOM 895 O VAL A 58 2.813 0.937 4.294 1.00 0.00 O ATOM 896 CB VAL A 58 2.748 -0.628 6.953 1.00 0.00 C ATOM 897 CG1 VAL A 58 3.874 -0.996 5.998 1.00 0.00 C ATOM 898 CG2 VAL A 58 3.269 0.228 8.098 1.00 0.00 C ATOM 0 H VAL A 58 1.373 -1.572 4.969 1.00 0.00 H new ATOM 0 HA VAL A 58 0.940 0.548 6.930 1.00 0.00 H new ATOM 0 HB VAL A 58 2.343 -1.549 7.372 1.00 0.00 H new ATOM 0 HG11 VAL A 58 4.662 -1.512 6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 58 3.488 -1.649 5.215 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.279 -0.090 5.547 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.066 -0.305 8.617 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.658 1.167 7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.457 0.436 8.795 1.00 0.00 H new ATOM 908 N GLU A 59 2.085 2.449 5.794 1.00 0.00 N ATOM 909 CA GLU A 59 2.621 3.592 5.064 1.00 0.00 C ATOM 910 C GLU A 59 4.113 3.417 4.799 1.00 0.00 C ATOM 911 O GLU A 59 4.649 3.950 3.826 1.00 0.00 O ATOM 912 CB GLU A 59 2.379 4.884 5.847 1.00 0.00 C ATOM 913 CG GLU A 59 3.023 4.892 7.223 1.00 0.00 C ATOM 914 CD GLU A 59 2.962 6.253 7.888 1.00 0.00 C ATOM 915 OE1 GLU A 59 3.817 7.107 7.571 1.00 0.00 O ATOM 916 OE2 GLU A 59 2.060 6.465 8.725 1.00 0.00 O ATOM 0 H GLU A 59 1.603 2.689 6.660 1.00 0.00 H new ATOM 0 HA GLU A 59 2.104 3.654 4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.763 5.726 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 59 1.305 5.037 5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.525 4.159 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.064 4.581 7.135 1.00 0.00 H new ATOM 923 N ASP A 60 4.779 2.668 5.670 1.00 0.00 N ATOM 924 CA ASP A 60 6.210 2.422 5.531 1.00 0.00 C ATOM 925 C ASP A 60 6.502 1.612 4.272 1.00 0.00 C ATOM 926 O ASP A 60 7.627 1.608 3.771 1.00 0.00 O ATOM 927 CB ASP A 60 6.745 1.687 6.761 1.00 0.00 C ATOM 928 CG ASP A 60 6.429 2.415 8.053 1.00 0.00 C ATOM 929 OD1 ASP A 60 6.349 3.660 8.028 1.00 0.00 O ATOM 930 OD2 ASP A 60 6.262 1.738 9.090 1.00 0.00 O ATOM 0 H ASP A 60 4.351 2.220 6.480 1.00 0.00 H new ATOM 0 HA ASP A 60 6.713 3.385 5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.316 0.686 6.797 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.825 1.568 6.669 1.00 0.00 H new ATOM 935 N LEU A 61 5.483 0.926 3.766 1.00 0.00 N ATOM 936 CA LEU A 61 5.630 0.111 2.566 1.00 0.00 C ATOM 937 C LEU A 61 5.375 0.939 1.310 1.00 0.00 C ATOM 938 O LEU A 61 6.021 0.741 0.281 1.00 0.00 O ATOM 939 CB LEU A 61 4.668 -1.077 2.611 1.00 0.00 C ATOM 940 CG LEU A 61 5.138 -2.291 3.414 1.00 0.00 C ATOM 941 CD1 LEU A 61 3.980 -3.244 3.666 1.00 0.00 C ATOM 942 CD2 LEU A 61 6.270 -3.004 2.688 1.00 0.00 C ATOM 0 H LEU A 61 4.546 0.918 4.169 1.00 0.00 H new ATOM 0 HA LEU A 61 6.654 -0.260 2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.720 -0.736 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.470 -1.397 1.588 1.00 0.00 H new ATOM 0 HG LEU A 61 5.512 -1.944 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.333 -4.102 4.239 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.200 -2.729 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.576 -3.585 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.592 -3.865 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.922 -3.339 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.108 -2.319 2.559 1.00 0.00 H new ATOM 954 N VAL A 62 4.430 1.870 1.403 1.00 0.00 N ATOM 955 CA VAL A 62 4.092 2.731 0.277 1.00 0.00 C ATOM 956 C VAL A 62 4.699 4.119 0.444 1.00 0.00 C ATOM 957 O VAL A 62 5.323 4.415 1.462 1.00 0.00 O ATOM 958 CB VAL A 62 2.566 2.866 0.112 1.00 0.00 C ATOM 959 CG1 VAL A 62 1.906 1.495 0.107 1.00 0.00 C ATOM 960 CG2 VAL A 62 1.988 3.742 1.213 1.00 0.00 C ATOM 0 H VAL A 62 3.885 2.047 2.247 1.00 0.00 H new ATOM 0 HA VAL A 62 4.507 2.262 -0.615 1.00 0.00 H new ATOM 0 HB VAL A 62 2.362 3.344 -0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.828 1.610 -0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.300 0.905 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.116 0.987 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.909 3.827 1.082 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.201 3.294 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.439 4.733 1.164 1.00 0.00 H new ATOM 970 N GLU A 63 4.511 4.966 -0.563 1.00 0.00 N ATOM 971 CA GLU A 63 5.041 6.324 -0.527 1.00 0.00 C ATOM 972 C GLU A 63 4.122 7.287 -1.272 1.00 0.00 C ATOM 973 O GLU A 63 3.591 6.958 -2.333 1.00 0.00 O ATOM 974 CB GLU A 63 6.444 6.365 -1.137 1.00 0.00 C ATOM 975 CG GLU A 63 6.445 6.399 -2.656 1.00 0.00 C ATOM 976 CD GLU A 63 7.831 6.618 -3.233 1.00 0.00 C ATOM 977 OE1 GLU A 63 8.643 7.305 -2.580 1.00 0.00 O ATOM 978 OE2 GLU A 63 8.102 6.103 -4.338 1.00 0.00 O ATOM 0 H GLU A 63 3.996 4.736 -1.413 1.00 0.00 H new ATOM 0 HA GLU A 63 5.097 6.636 0.516 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.969 7.243 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.003 5.492 -0.801 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.041 5.461 -3.037 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.783 7.194 -2.999 1.00 0.00 H new ATOM 985 N GLU A 64 3.939 8.478 -0.709 1.00 0.00 N ATOM 986 CA GLU A 64 3.083 9.488 -1.320 1.00 0.00 C ATOM 987 C GLU A 64 3.497 9.749 -2.765 1.00 0.00 C ATOM 988 O GLU A 64 4.684 9.858 -3.073 1.00 0.00 O ATOM 989 CB GLU A 64 3.140 10.789 -0.518 1.00 0.00 C ATOM 990 CG GLU A 64 4.370 11.632 -0.811 1.00 0.00 C ATOM 991 CD GLU A 64 5.662 10.853 -0.656 1.00 0.00 C ATOM 992 OE1 GLU A 64 5.928 10.362 0.461 1.00 0.00 O ATOM 993 OE2 GLU A 64 6.406 10.734 -1.652 1.00 0.00 O ATOM 0 H GLU A 64 4.372 8.766 0.168 1.00 0.00 H new ATOM 0 HA GLU A 64 2.060 9.112 -1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.248 11.377 -0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.118 10.551 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.305 12.022 -1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.385 12.491 -0.140 1.00 0.00 H new ATOM 1000 N VAL A 65 2.509 9.850 -3.649 1.00 0.00 N ATOM 1001 CA VAL A 65 2.768 10.099 -5.062 1.00 0.00 C ATOM 1002 C VAL A 65 2.580 11.573 -5.403 1.00 0.00 C ATOM 1003 O VAL A 65 1.453 12.065 -5.475 1.00 0.00 O ATOM 1004 CB VAL A 65 1.847 9.253 -5.960 1.00 0.00 C ATOM 1005 CG1 VAL A 65 2.229 9.417 -7.423 1.00 0.00 C ATOM 1006 CG2 VAL A 65 1.899 7.790 -5.548 1.00 0.00 C ATOM 0 H VAL A 65 1.521 9.763 -3.411 1.00 0.00 H new ATOM 0 HA VAL A 65 3.804 9.815 -5.249 1.00 0.00 H new ATOM 0 HB VAL A 65 0.823 9.606 -5.835 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.567 8.812 -8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.135 10.465 -7.708 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.259 9.092 -7.569 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.242 7.207 -6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.921 7.422 -5.642 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.572 7.692 -4.513 1.00 0.00 H new ATOM 1016 N SER A 66 3.690 12.273 -5.613 1.00 0.00 N ATOM 1017 CA SER A 66 3.647 13.692 -5.944 1.00 0.00 C ATOM 1018 C SER A 66 3.185 13.901 -7.383 1.00 0.00 C ATOM 1019 O SER A 66 2.097 14.419 -7.628 1.00 0.00 O ATOM 1020 CB SER A 66 5.025 14.326 -5.742 1.00 0.00 C ATOM 1021 OG SER A 66 4.919 15.726 -5.547 1.00 0.00 O ATOM 0 H SER A 66 4.630 11.881 -5.560 1.00 0.00 H new ATOM 0 HA SER A 66 2.931 14.174 -5.278 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.515 13.872 -4.881 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.653 14.123 -6.610 1.00 0.00 H new ATOM 0 HG SER A 66 5.813 16.107 -5.419 1.00 0.00 H new ATOM 1027 N GLY A 67 4.023 13.493 -8.332 1.00 0.00 N ATOM 1028 CA GLY A 67 3.684 13.644 -9.735 1.00 0.00 C ATOM 1029 C GLY A 67 3.551 15.096 -10.147 1.00 0.00 C ATOM 1030 O GLY A 67 3.942 16.009 -9.419 1.00 0.00 O ATOM 0 H GLY A 67 4.930 13.061 -8.154 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.451 13.166 -10.344 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.747 13.125 -9.937 1.00 0.00 H new ATOM 1034 N PRO A 68 2.988 15.327 -11.342 1.00 0.00 N ATOM 1035 CA PRO A 68 2.792 16.678 -11.877 1.00 0.00 C ATOM 1036 C PRO A 68 1.725 17.455 -11.114 1.00 0.00 C ATOM 1037 O PRO A 68 1.461 18.620 -11.411 1.00 0.00 O ATOM 1038 CB PRO A 68 2.343 16.427 -13.319 1.00 0.00 C ATOM 1039 CG PRO A 68 1.730 15.069 -13.294 1.00 0.00 C ATOM 1040 CD PRO A 68 2.497 14.288 -12.263 1.00 0.00 C ATOM 0 HA PRO A 68 3.695 17.283 -11.797 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.626 17.179 -13.647 1.00 0.00 H new ATOM 0 HB3 PRO A 68 3.186 16.468 -14.009 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.672 15.123 -13.036 1.00 0.00 H new ATOM 0 HG3 PRO A 68 1.795 14.593 -14.272 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.861 13.566 -11.751 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.318 13.728 -12.712 1.00 0.00 H new ATOM 1048 N SER A 69 1.114 16.803 -10.131 1.00 0.00 N ATOM 1049 CA SER A 69 0.072 17.432 -9.327 1.00 0.00 C ATOM 1050 C SER A 69 0.661 18.510 -8.423 1.00 0.00 C ATOM 1051 O SER A 69 0.102 19.599 -8.291 1.00 0.00 O ATOM 1052 CB SER A 69 -0.654 16.383 -8.483 1.00 0.00 C ATOM 1053 OG SER A 69 -1.379 15.482 -9.303 1.00 0.00 O ATOM 0 H SER A 69 1.322 15.839 -9.871 1.00 0.00 H new ATOM 0 HA SER A 69 -0.642 17.900 -10.004 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.069 15.831 -7.882 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.335 16.877 -7.790 1.00 0.00 H new ATOM 0 HG SER A 69 -1.833 14.820 -8.740 1.00 0.00 H new ATOM 1059 N SER A 70 1.794 18.199 -7.801 1.00 0.00 N ATOM 1060 CA SER A 70 2.458 19.138 -6.906 1.00 0.00 C ATOM 1061 C SER A 70 3.311 20.129 -7.692 1.00 0.00 C ATOM 1062 O SER A 70 4.504 19.912 -7.896 1.00 0.00 O ATOM 1063 CB SER A 70 3.329 18.386 -5.897 1.00 0.00 C ATOM 1064 OG SER A 70 3.948 19.282 -4.991 1.00 0.00 O ATOM 0 H SER A 70 2.271 17.303 -7.901 1.00 0.00 H new ATOM 0 HA SER A 70 1.689 19.694 -6.369 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.718 17.671 -5.346 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.091 17.813 -6.425 1.00 0.00 H new ATOM 0 HG SER A 70 4.498 18.777 -4.356 1.00 0.00 H new ATOM 1070 N GLY A 71 2.688 21.218 -8.133 1.00 0.00 N ATOM 1071 CA GLY A 71 3.404 22.226 -8.892 1.00 0.00 C ATOM 1072 C GLY A 71 2.471 23.169 -9.628 1.00 0.00 C ATOM 1073 O GLY A 71 2.720 24.372 -9.693 1.00 0.00 O ATOM 0 H GLY A 71 1.700 21.420 -7.978 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.039 22.801 -8.218 1.00 0.00 H new ATOM 0 HA3 GLY A 71 4.062 21.737 -9.610 1.00 0.00 H new TER 1077 GLY A 71