USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 730 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 22 LYS NZ :NH3+ -137:sc= 0.921 (180deg=-0.231) USER MOD Set 1.2: A 76 MET CE :methyl 150:sc= -1.08 (180deg=-1.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= -0.236 (180deg=-0.316) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -40:sc= 0.464 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 23:sc= 1.2 USER MOD Single : A 47 MET CE :methyl -175:sc= -0.222 (180deg=-0.3) USER MOD Single : A 53 THR OG1 : rot 89:sc= 1.24 USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00647) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 31:sc= 1.21 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 165:sc= 0.476 USER MOD Single : A 69 THR OG1 : rot 80:sc= 1.15 USER MOD Single : A 71 ASN : amide:sc= 0.613 K(o=0.61,f=-1.1) USER MOD Single : A 79 GLN : amide:sc= 0.0473 X(o=0.047,f=-0.13) USER MOD Single : A 81 MET CE :methyl 152:sc= -0.0164 (180deg=-0.172) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 78:sc= 0.81 USER MOD Single : A 90 HIS : no HD1:sc=-0.000834 X(o=-0.00083,f=0) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.330 12.954 -1.524 1.00 1.00 N ATOM 2 CA MET A 1 -6.523 14.360 -1.147 1.00 1.00 C ATOM 3 C MET A 1 -7.976 14.503 -0.717 1.00 1.00 C ATOM 4 O MET A 1 -8.821 14.957 -1.486 1.00 1.00 O ATOM 5 CB MET A 1 -6.138 15.277 -2.321 1.00 1.00 C ATOM 6 CG MET A 1 -6.180 16.749 -1.917 1.00 1.00 C ATOM 7 SD MET A 1 -5.109 17.133 -0.517 1.00 1.00 S ATOM 8 CE MET A 1 -5.591 18.861 -0.278 1.00 1.00 C ATOM 0 H1 MET A 1 -5.313 12.742 -1.564 1.00 1.00 H new ATOM 0 H2 MET A 1 -6.784 12.340 -0.818 1.00 1.00 H new ATOM 0 H3 MET A 1 -6.756 12.783 -2.457 1.00 1.00 H new ATOM 0 HA MET A 1 -5.880 14.660 -0.320 1.00 1.00 H new ATOM 0 HB2 MET A 1 -5.137 15.023 -2.670 1.00 1.00 H new ATOM 0 HB3 MET A 1 -6.819 15.108 -3.155 1.00 1.00 H new ATOM 0 HG2 MET A 1 -5.886 17.361 -2.769 1.00 1.00 H new ATOM 0 HG3 MET A 1 -7.205 17.021 -1.667 1.00 1.00 H new ATOM 0 HE1 MET A 1 -5.030 19.283 0.556 1.00 1.00 H new ATOM 0 HE2 MET A 1 -5.375 19.428 -1.184 1.00 1.00 H new ATOM 0 HE3 MET A 1 -6.658 18.915 -0.062 1.00 1.00 H new ATOM 20 N GLY A 2 -8.293 14.001 0.479 1.00 1.00 N ATOM 21 CA GLY A 2 -9.596 13.395 0.717 1.00 1.00 C ATOM 22 C GLY A 2 -9.480 11.886 0.505 1.00 1.00 C ATOM 23 O GLY A 2 -8.426 11.321 0.831 1.00 1.00 O ATOM 0 H GLY A 2 -7.670 14.004 1.287 1.00 1.00 H new ATOM 0 HA2 GLY A 2 -9.933 13.609 1.731 1.00 1.00 H new ATOM 0 HA3 GLY A 2 -10.338 13.816 0.039 1.00 1.00 H new ATOM 27 N ARG A 3 -10.483 11.297 -0.160 1.00 1.00 N ATOM 28 CA ARG A 3 -10.761 9.884 -0.435 1.00 1.00 C ATOM 29 C ARG A 3 -9.565 9.003 -0.716 1.00 1.00 C ATOM 30 O ARG A 3 -9.632 7.833 -0.384 1.00 1.00 O ATOM 31 CB ARG A 3 -11.798 9.712 -1.558 1.00 1.00 C ATOM 32 CG ARG A 3 -13.185 10.176 -1.108 1.00 1.00 C ATOM 33 CD ARG A 3 -14.295 9.704 -2.050 1.00 1.00 C ATOM 34 NE ARG A 3 -15.627 9.928 -1.463 1.00 1.00 N ATOM 35 CZ ARG A 3 -16.768 9.359 -1.880 1.00 1.00 C ATOM 36 NH1 ARG A 3 -16.817 8.587 -2.959 1.00 1.00 N ATOM 37 NH2 ARG A 3 -17.898 9.548 -1.218 1.00 1.00 N ATOM 0 H ARG A 3 -11.213 11.879 -0.571 1.00 1.00 H new ATOM 0 HA ARG A 3 -11.161 9.533 0.516 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -11.487 10.282 -2.433 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -11.842 8.665 -1.859 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -13.382 9.801 -0.103 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -13.200 11.264 -1.051 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -14.220 10.235 -2.999 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -14.164 8.644 -2.267 1.00 1.00 H new ATOM 0 HE ARG A 3 -15.687 10.570 -0.673 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -15.970 8.411 -3.499 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -17.702 8.170 -3.248 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -17.907 10.131 -0.381 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -18.760 9.110 -1.544 1.00 1.00 H new ATOM 51 N ALA A 4 -8.496 9.534 -1.304 1.00 1.00 N ATOM 52 CA ALA A 4 -7.278 8.745 -1.483 1.00 1.00 C ATOM 53 C ALA A 4 -6.845 8.148 -0.139 1.00 1.00 C ATOM 54 O ALA A 4 -6.623 6.943 -0.016 1.00 1.00 O ATOM 55 CB ALA A 4 -6.142 9.603 -2.062 1.00 1.00 C ATOM 0 H ALA A 4 -8.446 10.489 -1.659 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.492 7.942 -2.188 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -5.249 8.990 -2.184 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -6.444 10.001 -3.031 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.926 10.427 -1.382 1.00 1.00 H new ATOM 61 N ARG A 5 -6.720 9.002 0.881 1.00 1.00 N ATOM 62 CA ARG A 5 -6.268 8.571 2.191 1.00 1.00 C ATOM 63 C ARG A 5 -7.335 7.730 2.864 1.00 1.00 C ATOM 64 O ARG A 5 -6.993 6.733 3.482 1.00 1.00 O ATOM 65 CB ARG A 5 -5.851 9.764 3.067 1.00 1.00 C ATOM 66 CG ARG A 5 -4.582 10.413 2.501 1.00 1.00 C ATOM 67 CD ARG A 5 -3.745 11.140 3.562 1.00 1.00 C ATOM 68 NE ARG A 5 -4.411 12.348 4.077 1.00 1.00 N ATOM 69 CZ ARG A 5 -4.160 13.617 3.740 1.00 1.00 C ATOM 70 NH1 ARG A 5 -3.090 13.924 3.012 1.00 1.00 N ATOM 71 NH2 ARG A 5 -5.012 14.564 4.104 1.00 1.00 N ATOM 0 H ARG A 5 -6.928 9.998 0.816 1.00 1.00 H new ATOM 0 HA ARG A 5 -5.380 7.953 2.059 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.657 10.496 3.106 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -5.674 9.430 4.089 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -3.969 9.645 2.029 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -4.862 11.121 1.721 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -3.543 10.460 4.389 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -2.781 11.415 3.134 1.00 1.00 H new ATOM 0 HE ARG A 5 -5.146 12.200 4.768 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -2.453 13.188 2.706 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -2.906 14.895 2.760 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -5.848 14.321 4.635 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -4.832 15.536 3.853 1.00 1.00 H new ATOM 85 N ASP A 6 -8.607 8.096 2.738 1.00 1.00 N ATOM 86 CA ASP A 6 -9.693 7.348 3.359 1.00 1.00 C ATOM 87 C ASP A 6 -9.718 5.930 2.816 1.00 1.00 C ATOM 88 O ASP A 6 -9.808 4.991 3.592 1.00 1.00 O ATOM 89 CB ASP A 6 -11.034 8.036 3.115 1.00 1.00 C ATOM 90 CG ASP A 6 -11.016 9.450 3.667 1.00 1.00 C ATOM 91 OD1 ASP A 6 -10.554 10.364 2.947 1.00 1.00 O ATOM 92 OD2 ASP A 6 -11.375 9.647 4.847 1.00 1.00 O ATOM 0 H ASP A 6 -8.911 8.912 2.207 1.00 1.00 H new ATOM 0 HA ASP A 6 -9.522 7.314 4.435 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -11.248 8.059 2.046 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.833 7.465 3.588 1.00 1.00 H new ATOM 97 N ALA A 7 -9.589 5.765 1.501 1.00 1.00 N ATOM 98 CA ALA A 7 -9.640 4.479 0.840 1.00 1.00 C ATOM 99 C ALA A 7 -8.415 3.627 1.176 1.00 1.00 C ATOM 100 O ALA A 7 -8.574 2.424 1.376 1.00 1.00 O ATOM 101 CB ALA A 7 -9.779 4.701 -0.666 1.00 1.00 C ATOM 0 H ALA A 7 -9.443 6.544 0.859 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.507 3.924 1.199 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.818 3.737 -1.174 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.695 5.256 -0.869 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.923 5.269 -1.031 1.00 1.00 H new ATOM 107 N ILE A 8 -7.205 4.210 1.225 1.00 1.00 N ATOM 108 CA ILE A 8 -6.023 3.452 1.652 1.00 1.00 C ATOM 109 C ILE A 8 -6.253 3.023 3.111 1.00 1.00 C ATOM 110 O ILE A 8 -6.117 1.840 3.406 1.00 1.00 O ATOM 111 CB ILE A 8 -4.702 4.240 1.434 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.473 4.557 -0.065 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.470 3.487 1.959 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.508 5.731 -0.285 1.00 1.00 C ATOM 0 H ILE A 8 -7.024 5.183 0.979 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.898 2.563 1.034 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.818 5.164 2.000 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -4.079 3.671 -0.563 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.430 4.787 -0.533 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.575 4.084 1.780 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.580 3.310 3.029 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.379 2.532 1.441 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.386 5.907 -1.354 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.912 6.627 0.186 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.540 5.494 0.156 1.00 1.00 H new ATOM 126 N LEU A 9 -6.654 3.939 4.001 1.00 1.00 N ATOM 127 CA LEU A 9 -6.918 3.651 5.412 1.00 1.00 C ATOM 128 C LEU A 9 -7.927 2.512 5.540 1.00 1.00 C ATOM 129 O LEU A 9 -7.654 1.524 6.223 1.00 1.00 O ATOM 130 CB LEU A 9 -7.387 4.933 6.121 1.00 1.00 C ATOM 131 CG LEU A 9 -7.659 4.861 7.640 1.00 1.00 C ATOM 132 CD1 LEU A 9 -9.027 4.273 8.004 1.00 1.00 C ATOM 133 CD2 LEU A 9 -6.545 4.143 8.409 1.00 1.00 C ATOM 0 H LEU A 9 -6.806 4.917 3.754 1.00 1.00 H new ATOM 0 HA LEU A 9 -6.002 3.319 5.901 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.634 5.703 5.952 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -8.302 5.269 5.633 1.00 1.00 H new ATOM 0 HG LEU A 9 -7.673 5.904 7.956 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -9.140 4.257 9.088 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.815 4.886 7.566 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -9.101 3.257 7.617 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -6.790 4.123 9.471 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -6.448 3.122 8.040 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.603 4.673 8.264 1.00 1.00 H new ATOM 145 N ASP A 10 -9.058 2.635 4.842 1.00 1.00 N ATOM 146 CA ASP A 10 -10.142 1.655 4.819 1.00 1.00 C ATOM 147 C ASP A 10 -9.583 0.299 4.420 1.00 1.00 C ATOM 148 O ASP A 10 -9.913 -0.705 5.060 1.00 1.00 O ATOM 149 CB ASP A 10 -11.268 2.035 3.833 1.00 1.00 C ATOM 150 CG ASP A 10 -12.294 3.052 4.341 1.00 1.00 C ATOM 151 OD1 ASP A 10 -12.602 3.046 5.559 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.906 3.753 3.499 1.00 1.00 O ATOM 0 H ASP A 10 -9.249 3.449 4.257 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.572 1.627 5.820 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.811 2.432 2.927 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.798 1.125 3.550 1.00 1.00 H new ATOM 157 N ALA A 11 -8.742 0.262 3.386 1.00 1.00 N ATOM 158 CA ALA A 11 -8.121 -0.953 2.911 1.00 1.00 C ATOM 159 C ALA A 11 -7.200 -1.562 3.959 1.00 1.00 C ATOM 160 O ALA A 11 -7.392 -2.714 4.320 1.00 1.00 O ATOM 161 CB ALA A 11 -7.387 -0.721 1.584 1.00 1.00 C ATOM 0 H ALA A 11 -8.476 1.091 2.855 1.00 1.00 H new ATOM 0 HA ALA A 11 -8.917 -1.674 2.726 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -6.930 -1.654 1.253 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -8.096 -0.377 0.831 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.612 0.033 1.724 1.00 1.00 H new ATOM 167 N LEU A 12 -6.208 -0.813 4.456 1.00 1.00 N ATOM 168 CA LEU A 12 -5.253 -1.302 5.450 1.00 1.00 C ATOM 169 C LEU A 12 -5.946 -1.839 6.711 1.00 1.00 C ATOM 170 O LEU A 12 -5.455 -2.776 7.330 1.00 1.00 O ATOM 171 CB LEU A 12 -4.223 -0.242 5.834 1.00 1.00 C ATOM 172 CG LEU A 12 -3.005 -0.037 4.944 1.00 1.00 C ATOM 173 CD1 LEU A 12 -2.060 -1.237 4.994 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.371 0.269 3.511 1.00 1.00 C ATOM 0 H LEU A 12 -6.047 0.155 4.176 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.729 -2.129 4.971 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.744 0.713 5.903 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -3.862 -0.481 6.834 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.490 0.835 5.347 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -1.203 -1.053 4.346 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -1.716 -1.386 6.017 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.586 -2.129 4.654 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.462 0.405 2.925 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -3.949 -0.558 3.098 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.967 1.181 3.474 1.00 1.00 H new ATOM 186 N GLU A 13 -7.059 -1.230 7.112 1.00 1.00 N ATOM 187 CA GLU A 13 -7.889 -1.687 8.217 1.00 1.00 C ATOM 188 C GLU A 13 -8.622 -2.980 7.882 1.00 1.00 C ATOM 189 O GLU A 13 -8.665 -3.892 8.709 1.00 1.00 O ATOM 190 CB GLU A 13 -8.873 -0.584 8.618 1.00 1.00 C ATOM 191 CG GLU A 13 -8.234 0.471 9.526 1.00 1.00 C ATOM 192 CD GLU A 13 -7.947 -0.156 10.890 1.00 1.00 C ATOM 193 OE1 GLU A 13 -8.909 -0.290 11.682 1.00 1.00 O ATOM 194 OE2 GLU A 13 -6.783 -0.563 11.128 1.00 1.00 O ATOM 0 H GLU A 13 -7.415 -0.385 6.665 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.237 -1.906 9.062 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.258 -0.101 7.720 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.726 -1.031 9.130 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -7.311 0.842 9.080 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -8.901 1.326 9.637 1.00 1.00 H new ATOM 201 N ASN A 14 -9.195 -3.062 6.677 1.00 1.00 N ATOM 202 CA ASN A 14 -9.841 -4.262 6.168 1.00 1.00 C ATOM 203 C ASN A 14 -8.852 -5.392 5.908 1.00 1.00 C ATOM 204 O ASN A 14 -9.281 -6.549 5.854 1.00 1.00 O ATOM 205 CB ASN A 14 -10.626 -3.949 4.889 1.00 1.00 C ATOM 206 CG ASN A 14 -11.996 -3.343 5.152 1.00 1.00 C ATOM 207 OD1 ASN A 14 -12.313 -2.860 6.237 1.00 1.00 O ATOM 208 ND2 ASN A 14 -12.903 -3.467 4.207 1.00 1.00 N ATOM 0 H ASN A 14 -9.220 -2.280 6.022 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.528 -4.602 6.943 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -10.045 -3.261 4.275 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -10.748 -4.866 4.313 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -13.862 -3.163 4.377 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -12.647 -3.867 3.304 1.00 1.00 H new ATOM 215 N LEU A 15 -7.548 -5.126 5.805 1.00 1.00 N ATOM 216 CA LEU A 15 -6.560 -6.156 5.621 1.00 1.00 C ATOM 217 C LEU A 15 -6.264 -6.713 6.996 1.00 1.00 C ATOM 218 O LEU A 15 -6.201 -6.006 8.011 1.00 1.00 O ATOM 219 CB LEU A 15 -5.251 -5.593 5.049 1.00 1.00 C ATOM 220 CG LEU A 15 -5.242 -5.155 3.575 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.822 -4.815 3.121 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.791 -6.244 2.648 1.00 1.00 C ATOM 0 H LEU A 15 -7.161 -4.183 5.849 1.00 1.00 H new ATOM 0 HA LEU A 15 -6.939 -6.904 4.925 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -4.963 -4.734 5.655 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.477 -6.349 5.178 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.883 -4.276 3.511 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.838 -4.508 2.075 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -3.429 -4.002 3.732 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.185 -5.692 3.231 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.766 -5.891 1.617 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.180 -7.142 2.739 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -6.819 -6.475 2.927 1.00 1.00 H new ATOM 234 N THR A 16 -6.057 -8.012 7.017 1.00 1.00 N ATOM 235 CA THR A 16 -5.801 -8.740 8.235 1.00 1.00 C ATOM 236 C THR A 16 -4.286 -8.826 8.400 1.00 1.00 C ATOM 237 O THR A 16 -3.536 -8.586 7.449 1.00 1.00 O ATOM 238 CB THR A 16 -6.514 -10.093 8.149 1.00 1.00 C ATOM 239 OG1 THR A 16 -6.045 -10.858 7.055 1.00 1.00 O ATOM 240 CG2 THR A 16 -8.030 -9.915 7.967 1.00 1.00 C ATOM 0 H THR A 16 -6.062 -8.595 6.180 1.00 1.00 H new ATOM 0 HA THR A 16 -6.194 -8.251 9.126 1.00 1.00 H new ATOM 0 HB THR A 16 -6.302 -10.607 9.086 1.00 1.00 H new ATOM 0 HG1 THR A 16 -6.518 -11.716 7.029 1.00 1.00 H new ATOM 0 HG21 THR A 16 -8.507 -10.893 7.909 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.436 -9.363 8.815 1.00 1.00 H new ATOM 0 HG23 THR A 16 -8.224 -9.362 7.048 1.00 1.00 H new ATOM 248 N ALA A 17 -3.804 -9.199 9.583 1.00 1.00 N ATOM 249 CA ALA A 17 -2.374 -9.193 9.867 1.00 1.00 C ATOM 250 C ALA A 17 -1.549 -10.124 8.961 1.00 1.00 C ATOM 251 O ALA A 17 -0.347 -9.898 8.809 1.00 1.00 O ATOM 252 CB ALA A 17 -2.162 -9.519 11.338 1.00 1.00 C ATOM 0 H ALA A 17 -4.386 -9.510 10.361 1.00 1.00 H new ATOM 0 HA ALA A 17 -2.003 -8.193 9.644 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -1.095 -9.517 11.561 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.662 -8.771 11.952 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.576 -10.503 11.556 1.00 1.00 H new ATOM 258 N GLU A 18 -2.171 -11.139 8.356 1.00 1.00 N ATOM 259 CA GLU A 18 -1.534 -12.036 7.393 1.00 1.00 C ATOM 260 C GLU A 18 -1.308 -11.284 6.081 1.00 1.00 C ATOM 261 O GLU A 18 -0.211 -11.298 5.521 1.00 1.00 O ATOM 262 CB GLU A 18 -2.440 -13.259 7.173 1.00 1.00 C ATOM 263 CG GLU A 18 -1.852 -14.320 6.234 1.00 1.00 C ATOM 264 CD GLU A 18 -0.636 -15.012 6.842 1.00 1.00 C ATOM 265 OE1 GLU A 18 -0.805 -15.787 7.812 1.00 1.00 O ATOM 266 OE2 GLU A 18 0.492 -14.840 6.327 1.00 1.00 O ATOM 0 H GLU A 18 -3.151 -11.363 8.526 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.570 -12.377 7.770 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.648 -13.720 8.138 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.394 -12.921 6.768 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.615 -15.064 6.005 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -1.569 -13.852 5.291 1.00 1.00 H new ATOM 273 N GLU A 19 -2.340 -10.590 5.593 1.00 1.00 N ATOM 274 CA GLU A 19 -2.221 -9.799 4.383 1.00 1.00 C ATOM 275 C GLU A 19 -1.276 -8.635 4.644 1.00 1.00 C ATOM 276 O GLU A 19 -0.405 -8.377 3.824 1.00 1.00 O ATOM 277 CB GLU A 19 -3.588 -9.301 3.895 1.00 1.00 C ATOM 278 CG GLU A 19 -4.555 -10.419 3.476 1.00 1.00 C ATOM 279 CD GLU A 19 -4.200 -11.117 2.155 1.00 1.00 C ATOM 280 OE1 GLU A 19 -3.016 -11.370 1.842 1.00 1.00 O ATOM 281 OE2 GLU A 19 -5.132 -11.523 1.428 1.00 1.00 O ATOM 0 H GLU A 19 -3.264 -10.565 6.024 1.00 1.00 H new ATOM 0 HA GLU A 19 -1.815 -10.427 3.590 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.052 -8.714 4.687 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.437 -8.631 3.048 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.588 -11.167 4.268 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.558 -10.000 3.391 1.00 1.00 H new ATOM 288 N LEU A 20 -1.369 -7.966 5.797 1.00 1.00 N ATOM 289 CA LEU A 20 -0.440 -6.898 6.134 1.00 1.00 C ATOM 290 C LEU A 20 0.985 -7.430 6.190 1.00 1.00 C ATOM 291 O LEU A 20 1.880 -6.742 5.713 1.00 1.00 O ATOM 292 CB LEU A 20 -0.834 -6.144 7.421 1.00 1.00 C ATOM 293 CG LEU A 20 -2.119 -5.299 7.292 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.384 -4.454 8.542 1.00 1.00 C ATOM 295 CD2 LEU A 20 -2.026 -4.312 6.132 1.00 1.00 C ATOM 0 H LEU A 20 -2.078 -8.149 6.507 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.493 -6.156 5.337 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -0.968 -6.867 8.226 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -0.011 -5.491 7.712 1.00 1.00 H new ATOM 0 HG LEU A 20 -2.920 -6.022 7.137 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.298 -3.877 8.404 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.495 -5.108 9.407 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.548 -3.775 8.706 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -2.948 -3.734 6.071 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.185 -3.638 6.295 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -1.878 -4.858 5.200 1.00 1.00 H new ATOM 307 N LYS A 21 1.232 -8.648 6.683 1.00 1.00 N ATOM 308 CA LYS A 21 2.567 -9.242 6.658 1.00 1.00 C ATOM 309 C LYS A 21 3.069 -9.307 5.218 1.00 1.00 C ATOM 310 O LYS A 21 4.136 -8.774 4.889 1.00 1.00 O ATOM 311 CB LYS A 21 2.508 -10.655 7.257 1.00 1.00 C ATOM 312 CG LYS A 21 3.909 -11.248 7.440 1.00 1.00 C ATOM 313 CD LYS A 21 3.901 -12.767 7.639 1.00 1.00 C ATOM 314 CE LYS A 21 3.532 -13.497 6.343 1.00 1.00 C ATOM 315 NZ LYS A 21 4.022 -14.886 6.362 1.00 1.00 N ATOM 0 H LYS A 21 0.519 -9.242 7.106 1.00 1.00 H new ATOM 0 HA LYS A 21 3.251 -8.631 7.247 1.00 1.00 H new ATOM 0 HB2 LYS A 21 1.998 -10.622 8.220 1.00 1.00 H new ATOM 0 HB3 LYS A 21 1.920 -11.303 6.606 1.00 1.00 H new ATOM 0 HG2 LYS A 21 4.516 -11.006 6.567 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.386 -10.778 8.300 1.00 1.00 H new ATOM 0 HD2 LYS A 21 4.883 -13.097 7.977 1.00 1.00 H new ATOM 0 HD3 LYS A 21 3.189 -13.030 8.422 1.00 1.00 H new ATOM 0 HE2 LYS A 21 2.450 -13.491 6.214 1.00 1.00 H new ATOM 0 HE3 LYS A 21 3.958 -12.969 5.490 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 3.760 -15.359 5.474 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 5.057 -14.888 6.462 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 3.596 -15.394 7.163 1.00 1.00 H new ATOM 329 N LYS A 22 2.316 -10.001 4.361 1.00 1.00 N ATOM 330 CA LYS A 22 2.733 -10.217 2.986 1.00 1.00 C ATOM 331 C LYS A 22 2.811 -8.888 2.235 1.00 1.00 C ATOM 332 O LYS A 22 3.688 -8.764 1.390 1.00 1.00 O ATOM 333 CB LYS A 22 1.796 -11.216 2.297 1.00 1.00 C ATOM 334 CG LYS A 22 1.981 -12.675 2.735 1.00 1.00 C ATOM 335 CD LYS A 22 1.294 -13.668 1.778 1.00 1.00 C ATOM 336 CE LYS A 22 -0.236 -13.531 1.709 1.00 1.00 C ATOM 337 NZ LYS A 22 -0.686 -12.507 0.742 1.00 1.00 N ATOM 0 H LYS A 22 1.417 -10.420 4.601 1.00 1.00 H new ATOM 0 HA LYS A 22 3.733 -10.650 2.979 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.765 -10.920 2.492 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.948 -11.152 1.220 1.00 1.00 H new ATOM 0 HG2 LYS A 22 3.046 -12.903 2.788 1.00 1.00 H new ATOM 0 HG3 LYS A 22 1.577 -12.804 3.739 1.00 1.00 H new ATOM 0 HD2 LYS A 22 1.704 -13.532 0.777 1.00 1.00 H new ATOM 0 HD3 LYS A 22 1.542 -14.683 2.088 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -0.669 -14.494 1.437 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -0.617 -13.279 2.699 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -1.454 -11.946 1.162 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 0.109 -11.881 0.504 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -1.030 -12.973 -0.122 1.00 1.00 H new ATOM 351 N PHE A 23 1.983 -7.890 2.552 1.00 1.00 N ATOM 352 CA PHE A 23 2.005 -6.549 1.978 1.00 1.00 C ATOM 353 C PHE A 23 3.307 -5.856 2.355 1.00 1.00 C ATOM 354 O PHE A 23 4.056 -5.423 1.482 1.00 1.00 O ATOM 355 CB PHE A 23 0.796 -5.759 2.497 1.00 1.00 C ATOM 356 CG PHE A 23 0.607 -4.364 1.939 1.00 1.00 C ATOM 357 CD1 PHE A 23 0.225 -4.188 0.597 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.729 -3.241 2.781 1.00 1.00 C ATOM 359 CE1 PHE A 23 -0.049 -2.901 0.099 1.00 1.00 C ATOM 360 CE2 PHE A 23 0.445 -1.957 2.282 1.00 1.00 C ATOM 361 CZ PHE A 23 0.061 -1.783 0.943 1.00 1.00 C ATOM 0 H PHE A 23 1.246 -8.003 3.248 1.00 1.00 H new ATOM 0 HA PHE A 23 1.947 -6.605 0.891 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.104 -6.336 2.285 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.878 -5.684 3.581 1.00 1.00 H new ATOM 0 HD1 PHE A 23 0.142 -5.045 -0.055 1.00 1.00 H new ATOM 0 HD2 PHE A 23 1.040 -3.366 3.808 1.00 1.00 H new ATOM 0 HE1 PHE A 23 -0.344 -2.772 -0.932 1.00 1.00 H new ATOM 0 HE2 PHE A 23 0.523 -1.099 2.933 1.00 1.00 H new ATOM 0 HZ PHE A 23 -0.149 -0.794 0.563 1.00 1.00 H new ATOM 371 N LYS A 24 3.607 -5.791 3.656 1.00 1.00 N ATOM 372 CA LYS A 24 4.823 -5.211 4.204 1.00 1.00 C ATOM 373 C LYS A 24 6.067 -5.842 3.569 1.00 1.00 C ATOM 374 O LYS A 24 7.071 -5.154 3.400 1.00 1.00 O ATOM 375 CB LYS A 24 4.788 -5.361 5.737 1.00 1.00 C ATOM 376 CG LYS A 24 3.741 -4.470 6.445 1.00 1.00 C ATOM 377 CD LYS A 24 3.421 -4.903 7.889 1.00 1.00 C ATOM 378 CE LYS A 24 2.420 -3.919 8.515 1.00 1.00 C ATOM 379 NZ LYS A 24 1.865 -4.402 9.795 1.00 1.00 N ATOM 0 H LYS A 24 2.984 -6.155 4.376 1.00 1.00 H new ATOM 0 HA LYS A 24 4.878 -4.149 3.965 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.585 -6.403 5.983 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.775 -5.126 6.135 1.00 1.00 H new ATOM 0 HG2 LYS A 24 4.103 -3.442 6.457 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.820 -4.477 5.862 1.00 1.00 H new ATOM 0 HD2 LYS A 24 3.006 -5.911 7.893 1.00 1.00 H new ATOM 0 HD3 LYS A 24 4.336 -4.932 8.481 1.00 1.00 H new ATOM 0 HE2 LYS A 24 2.913 -2.961 8.677 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.604 -3.743 7.814 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.197 -3.699 10.171 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 1.369 -5.303 9.640 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 2.637 -4.545 10.477 1.00 1.00 H new ATOM 393 N LEU A 25 6.025 -7.131 3.219 1.00 1.00 N ATOM 394 CA LEU A 25 7.104 -7.811 2.508 1.00 1.00 C ATOM 395 C LEU A 25 7.076 -7.523 1.008 1.00 1.00 C ATOM 396 O LEU A 25 8.148 -7.292 0.450 1.00 1.00 O ATOM 397 CB LEU A 25 7.001 -9.328 2.747 1.00 1.00 C ATOM 398 CG LEU A 25 7.552 -9.763 4.114 1.00 1.00 C ATOM 399 CD1 LEU A 25 7.060 -11.169 4.473 1.00 1.00 C ATOM 400 CD2 LEU A 25 9.086 -9.764 4.101 1.00 1.00 C ATOM 0 H LEU A 25 5.230 -7.736 3.425 1.00 1.00 H new ATOM 0 HA LEU A 25 8.049 -7.431 2.897 1.00 1.00 H new ATOM 0 HB2 LEU A 25 5.957 -9.632 2.670 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.544 -9.851 1.960 1.00 1.00 H new ATOM 0 HG LEU A 25 7.193 -9.051 4.858 1.00 1.00 H new ATOM 0 HD11 LEU A 25 7.461 -11.458 5.444 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.971 -11.174 4.515 1.00 1.00 H new ATOM 0 HD13 LEU A 25 7.397 -11.877 3.716 1.00 1.00 H new ATOM 0 HD21 LEU A 25 9.458 -10.075 5.077 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.443 -10.457 3.339 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.449 -8.761 3.877 1.00 1.00 H new ATOM 412 N LYS A 26 5.920 -7.540 0.333 1.00 1.00 N ATOM 413 CA LYS A 26 5.827 -7.241 -1.101 1.00 1.00 C ATOM 414 C LYS A 26 6.308 -5.829 -1.390 1.00 1.00 C ATOM 415 O LYS A 26 6.984 -5.629 -2.400 1.00 1.00 O ATOM 416 CB LYS A 26 4.408 -7.440 -1.669 1.00 1.00 C ATOM 417 CG LYS A 26 4.030 -8.891 -2.002 1.00 1.00 C ATOM 418 CD LYS A 26 4.962 -9.526 -3.045 1.00 1.00 C ATOM 419 CE LYS A 26 4.395 -10.847 -3.569 1.00 1.00 C ATOM 420 NZ LYS A 26 5.380 -11.550 -4.414 1.00 1.00 N ATOM 0 H LYS A 26 5.023 -7.761 0.766 1.00 1.00 H new ATOM 0 HA LYS A 26 6.477 -7.958 -1.604 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.689 -7.051 -0.948 1.00 1.00 H new ATOM 0 HB3 LYS A 26 4.309 -6.840 -2.574 1.00 1.00 H new ATOM 0 HG2 LYS A 26 4.055 -9.486 -1.089 1.00 1.00 H new ATOM 0 HG3 LYS A 26 3.005 -8.919 -2.373 1.00 1.00 H new ATOM 0 HD2 LYS A 26 5.106 -8.835 -3.876 1.00 1.00 H new ATOM 0 HD3 LYS A 26 5.942 -9.699 -2.601 1.00 1.00 H new ATOM 0 HE2 LYS A 26 4.111 -11.483 -2.730 1.00 1.00 H new ATOM 0 HE3 LYS A 26 3.489 -10.655 -4.144 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 4.970 -12.442 -4.756 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 5.631 -10.951 -5.226 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 6.234 -11.753 -3.856 1.00 1.00 H new ATOM 434 N LEU A 27 6.046 -4.884 -0.487 1.00 1.00 N ATOM 435 CA LEU A 27 6.534 -3.513 -0.580 1.00 1.00 C ATOM 436 C LEU A 27 8.056 -3.457 -0.678 1.00 1.00 C ATOM 437 O LEU A 27 8.584 -2.441 -1.140 1.00 1.00 O ATOM 438 CB LEU A 27 6.063 -2.712 0.644 1.00 1.00 C ATOM 439 CG LEU A 27 4.609 -2.236 0.518 1.00 1.00 C ATOM 440 CD1 LEU A 27 3.978 -1.860 1.856 1.00 1.00 C ATOM 441 CD2 LEU A 27 4.523 -1.001 -0.374 1.00 1.00 C ATOM 0 H LEU A 27 5.479 -5.055 0.343 1.00 1.00 H new ATOM 0 HA LEU A 27 6.126 -3.075 -1.491 1.00 1.00 H new ATOM 0 HB2 LEU A 27 6.163 -3.329 1.537 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.713 -1.848 0.780 1.00 1.00 H new ATOM 0 HG LEU A 27 4.068 -3.082 0.094 1.00 1.00 H new ATOM 0 HD11 LEU A 27 2.951 -1.533 1.695 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.983 -2.727 2.517 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.549 -1.052 2.313 1.00 1.00 H new ATOM 0 HD21 LEU A 27 3.484 -0.679 -0.451 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.121 -0.198 0.058 1.00 1.00 H new ATOM 0 HD23 LEU A 27 4.902 -1.242 -1.367 1.00 1.00 H new ATOM 453 N LEU A 28 8.771 -4.518 -0.300 1.00 1.00 N ATOM 454 CA LEU A 28 10.214 -4.594 -0.427 1.00 1.00 C ATOM 455 C LEU A 28 10.551 -5.986 -1.001 1.00 1.00 C ATOM 456 O LEU A 28 11.439 -6.670 -0.501 1.00 1.00 O ATOM 457 CB LEU A 28 10.822 -4.319 0.964 1.00 1.00 C ATOM 458 CG LEU A 28 12.301 -3.838 0.959 1.00 1.00 C ATOM 459 CD1 LEU A 28 13.041 -4.281 2.226 1.00 1.00 C ATOM 460 CD2 LEU A 28 13.175 -4.082 -0.287 1.00 1.00 C ATOM 0 H LEU A 28 8.353 -5.355 0.107 1.00 1.00 H new ATOM 0 HA LEU A 28 10.635 -3.854 -1.107 1.00 1.00 H new ATOM 0 HB2 LEU A 28 10.214 -3.566 1.466 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.755 -5.230 1.558 1.00 1.00 H new ATOM 0 HG LEU A 28 12.160 -2.758 0.928 1.00 1.00 H new ATOM 0 HD11 LEU A 28 14.071 -3.927 2.188 1.00 1.00 H new ATOM 0 HD12 LEU A 28 12.546 -3.862 3.102 1.00 1.00 H new ATOM 0 HD13 LEU A 28 13.033 -5.369 2.290 1.00 1.00 H new ATOM 0 HD21 LEU A 28 14.174 -3.682 -0.114 1.00 1.00 H new ATOM 0 HD22 LEU A 28 13.241 -5.153 -0.481 1.00 1.00 H new ATOM 0 HD23 LEU A 28 12.729 -3.584 -1.148 1.00 1.00 H new ATOM 472 N SER A 29 9.800 -6.449 -2.008 1.00 1.00 N ATOM 473 CA SER A 29 10.047 -7.702 -2.730 1.00 1.00 C ATOM 474 C SER A 29 10.403 -7.442 -4.193 1.00 1.00 C ATOM 475 O SER A 29 10.656 -8.387 -4.945 1.00 1.00 O ATOM 476 CB SER A 29 8.813 -8.603 -2.648 1.00 1.00 C ATOM 477 OG SER A 29 9.068 -9.891 -3.174 1.00 1.00 O ATOM 0 H SER A 29 8.981 -5.948 -2.352 1.00 1.00 H new ATOM 0 HA SER A 29 10.895 -8.200 -2.259 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.495 -8.691 -1.609 1.00 1.00 H new ATOM 0 HB3 SER A 29 7.990 -8.143 -3.195 1.00 1.00 H new ATOM 0 HG SER A 29 9.613 -9.811 -3.984 1.00 1.00 H new ATOM 483 N VAL A 30 10.377 -6.186 -4.617 1.00 1.00 N ATOM 484 CA VAL A 30 10.639 -5.749 -5.967 1.00 1.00 C ATOM 485 C VAL A 30 11.294 -4.370 -5.831 1.00 1.00 C ATOM 486 O VAL A 30 10.974 -3.648 -4.876 1.00 1.00 O ATOM 487 CB VAL A 30 9.283 -5.752 -6.716 1.00 1.00 C ATOM 488 CG1 VAL A 30 8.291 -4.677 -6.240 1.00 1.00 C ATOM 489 CG2 VAL A 30 9.434 -5.674 -8.239 1.00 1.00 C ATOM 0 H VAL A 30 10.161 -5.410 -3.991 1.00 1.00 H new ATOM 0 HA VAL A 30 11.311 -6.384 -6.544 1.00 1.00 H new ATOM 0 HB VAL A 30 8.858 -6.722 -6.457 1.00 1.00 H new ATOM 0 HG11 VAL A 30 7.370 -4.751 -6.817 1.00 1.00 H new ATOM 0 HG12 VAL A 30 8.070 -4.828 -5.183 1.00 1.00 H new ATOM 0 HG13 VAL A 30 8.729 -3.689 -6.381 1.00 1.00 H new ATOM 0 HG21 VAL A 30 8.448 -5.680 -8.703 1.00 1.00 H new ATOM 0 HG22 VAL A 30 9.955 -4.755 -8.506 1.00 1.00 H new ATOM 0 HG23 VAL A 30 10.007 -6.532 -8.592 1.00 1.00 H new ATOM 499 N PRO A 31 12.232 -3.996 -6.716 1.00 1.00 N ATOM 500 CA PRO A 31 12.787 -2.655 -6.690 1.00 1.00 C ATOM 501 C PRO A 31 11.694 -1.689 -7.155 1.00 1.00 C ATOM 502 O PRO A 31 10.611 -2.090 -7.592 1.00 1.00 O ATOM 503 CB PRO A 31 13.982 -2.683 -7.650 1.00 1.00 C ATOM 504 CG PRO A 31 13.604 -3.785 -8.638 1.00 1.00 C ATOM 505 CD PRO A 31 12.831 -4.785 -7.781 1.00 1.00 C ATOM 0 HA PRO A 31 13.117 -2.331 -5.703 1.00 1.00 H new ATOM 0 HB2 PRO A 31 14.121 -1.724 -8.149 1.00 1.00 H new ATOM 0 HB3 PRO A 31 14.913 -2.910 -7.129 1.00 1.00 H new ATOM 0 HG2 PRO A 31 12.993 -3.400 -9.454 1.00 1.00 H new ATOM 0 HG3 PRO A 31 14.486 -4.240 -9.088 1.00 1.00 H new ATOM 0 HD2 PRO A 31 12.068 -5.298 -8.367 1.00 1.00 H new ATOM 0 HD3 PRO A 31 13.493 -5.552 -7.378 1.00 1.00 H new ATOM 513 N LEU A 32 11.987 -0.398 -7.096 1.00 1.00 N ATOM 514 CA LEU A 32 11.085 0.649 -7.552 1.00 1.00 C ATOM 515 C LEU A 32 11.875 1.626 -8.423 1.00 1.00 C ATOM 516 O LEU A 32 13.105 1.537 -8.516 1.00 1.00 O ATOM 517 CB LEU A 32 10.411 1.290 -6.329 1.00 1.00 C ATOM 518 CG LEU A 32 9.119 2.066 -6.664 1.00 1.00 C ATOM 519 CD1 LEU A 32 7.906 1.453 -5.957 1.00 1.00 C ATOM 520 CD2 LEU A 32 9.265 3.524 -6.236 1.00 1.00 C ATOM 0 H LEU A 32 12.869 -0.044 -6.725 1.00 1.00 H new ATOM 0 HA LEU A 32 10.279 0.260 -8.175 1.00 1.00 H new ATOM 0 HB2 LEU A 32 10.178 0.510 -5.604 1.00 1.00 H new ATOM 0 HB3 LEU A 32 11.117 1.968 -5.851 1.00 1.00 H new ATOM 0 HG LEU A 32 8.961 2.007 -7.741 1.00 1.00 H new ATOM 0 HD11 LEU A 32 7.011 2.021 -6.212 1.00 1.00 H new ATOM 0 HD12 LEU A 32 7.783 0.418 -6.277 1.00 1.00 H new ATOM 0 HD13 LEU A 32 8.060 1.483 -4.878 1.00 1.00 H new ATOM 0 HD21 LEU A 32 8.350 4.067 -6.475 1.00 1.00 H new ATOM 0 HD22 LEU A 32 9.445 3.572 -5.162 1.00 1.00 H new ATOM 0 HD23 LEU A 32 10.104 3.976 -6.765 1.00 1.00 H new ATOM 532 N ARG A 33 11.178 2.555 -9.072 1.00 1.00 N ATOM 533 CA ARG A 33 11.778 3.486 -10.018 1.00 1.00 C ATOM 534 C ARG A 33 12.587 4.537 -9.256 1.00 1.00 C ATOM 535 O ARG A 33 12.516 4.636 -8.023 1.00 1.00 O ATOM 536 CB ARG A 33 10.662 4.122 -10.865 1.00 1.00 C ATOM 537 CG ARG A 33 9.961 3.090 -11.773 1.00 1.00 C ATOM 538 CD ARG A 33 8.717 3.675 -12.447 1.00 1.00 C ATOM 539 NE ARG A 33 7.628 3.874 -11.476 1.00 1.00 N ATOM 540 CZ ARG A 33 6.697 4.829 -11.502 1.00 1.00 C ATOM 541 NH1 ARG A 33 6.609 5.661 -12.530 1.00 1.00 N ATOM 542 NH2 ARG A 33 5.863 4.960 -10.482 1.00 1.00 N ATOM 0 H ARG A 33 10.173 2.682 -8.954 1.00 1.00 H new ATOM 0 HA ARG A 33 12.462 2.967 -10.690 1.00 1.00 H new ATOM 0 HB2 ARG A 33 9.926 4.583 -10.206 1.00 1.00 H new ATOM 0 HB3 ARG A 33 11.083 4.918 -11.480 1.00 1.00 H new ATOM 0 HG2 ARG A 33 10.659 2.744 -12.536 1.00 1.00 H new ATOM 0 HG3 ARG A 33 9.678 2.219 -11.182 1.00 1.00 H new ATOM 0 HD2 ARG A 33 8.968 4.627 -12.916 1.00 1.00 H new ATOM 0 HD3 ARG A 33 8.382 3.007 -13.241 1.00 1.00 H new ATOM 0 HE ARG A 33 7.581 3.212 -10.702 1.00 1.00 H new ATOM 0 HH11 ARG A 33 7.257 5.575 -13.313 1.00 1.00 H new ATOM 0 HH12 ARG A 33 5.893 6.387 -12.538 1.00 1.00 H new ATOM 0 HH21 ARG A 33 5.934 4.332 -9.681 1.00 1.00 H new ATOM 0 HH22 ARG A 33 5.149 5.689 -10.497 1.00 1.00 H new ATOM 556 N GLU A 34 13.399 5.296 -9.984 1.00 1.00 N ATOM 557 CA GLU A 34 14.190 6.383 -9.433 1.00 1.00 C ATOM 558 C GLU A 34 13.339 7.656 -9.430 1.00 1.00 C ATOM 559 O GLU A 34 12.448 7.811 -10.267 1.00 1.00 O ATOM 560 CB GLU A 34 15.469 6.525 -10.279 1.00 1.00 C ATOM 561 CG GLU A 34 16.441 7.637 -9.850 1.00 1.00 C ATOM 562 CD GLU A 34 17.071 7.456 -8.468 1.00 1.00 C ATOM 563 OE1 GLU A 34 16.574 6.676 -7.624 1.00 1.00 O ATOM 564 OE2 GLU A 34 18.106 8.104 -8.210 1.00 1.00 O ATOM 0 H GLU A 34 13.526 5.169 -10.988 1.00 1.00 H new ATOM 0 HA GLU A 34 14.490 6.188 -8.403 1.00 1.00 H new ATOM 0 HB2 GLU A 34 16.003 5.575 -10.257 1.00 1.00 H new ATOM 0 HB3 GLU A 34 15.178 6.703 -11.314 1.00 1.00 H new ATOM 0 HG2 GLU A 34 17.239 7.704 -10.589 1.00 1.00 H new ATOM 0 HG3 GLU A 34 15.909 8.588 -9.867 1.00 1.00 H new ATOM 571 N GLY A 35 13.625 8.593 -8.523 1.00 1.00 N ATOM 572 CA GLY A 35 12.822 9.802 -8.352 1.00 1.00 C ATOM 573 C GLY A 35 11.636 9.566 -7.417 1.00 1.00 C ATOM 574 O GLY A 35 10.717 10.381 -7.366 1.00 1.00 O ATOM 0 H GLY A 35 14.420 8.533 -7.887 1.00 1.00 H new ATOM 0 HA2 GLY A 35 13.447 10.600 -7.952 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.458 10.138 -9.323 1.00 1.00 H new ATOM 578 N TYR A 36 11.635 8.452 -6.688 1.00 1.00 N ATOM 579 CA TYR A 36 10.675 8.080 -5.675 1.00 1.00 C ATOM 580 C TYR A 36 11.449 7.402 -4.544 1.00 1.00 C ATOM 581 O TYR A 36 12.637 7.097 -4.690 1.00 1.00 O ATOM 582 CB TYR A 36 9.644 7.129 -6.286 1.00 1.00 C ATOM 583 CG TYR A 36 8.686 7.739 -7.295 1.00 1.00 C ATOM 584 CD1 TYR A 36 7.837 8.804 -6.927 1.00 1.00 C ATOM 585 CD2 TYR A 36 8.604 7.203 -8.594 1.00 1.00 C ATOM 586 CE1 TYR A 36 6.910 9.329 -7.847 1.00 1.00 C ATOM 587 CE2 TYR A 36 7.662 7.704 -9.506 1.00 1.00 C ATOM 588 CZ TYR A 36 6.802 8.757 -9.135 1.00 1.00 C ATOM 589 OH TYR A 36 5.862 9.188 -10.018 1.00 1.00 O ATOM 0 H TYR A 36 12.359 7.743 -6.805 1.00 1.00 H new ATOM 0 HA TYR A 36 10.141 8.948 -5.287 1.00 1.00 H new ATOM 0 HB2 TYR A 36 10.177 6.311 -6.770 1.00 1.00 H new ATOM 0 HB3 TYR A 36 9.058 6.693 -5.477 1.00 1.00 H new ATOM 0 HD1 TYR A 36 7.899 9.220 -5.932 1.00 1.00 H new ATOM 0 HD2 TYR A 36 9.268 6.404 -8.890 1.00 1.00 H new ATOM 0 HE1 TYR A 36 6.284 10.165 -7.570 1.00 1.00 H new ATOM 0 HE2 TYR A 36 7.596 7.280 -10.497 1.00 1.00 H new ATOM 0 HH TYR A 36 5.939 8.679 -10.852 1.00 1.00 H new ATOM 599 N GLY A 37 10.774 7.149 -3.424 1.00 1.00 N ATOM 600 CA GLY A 37 11.364 6.459 -2.280 1.00 1.00 C ATOM 601 C GLY A 37 10.884 5.014 -2.206 1.00 1.00 C ATOM 602 O GLY A 37 10.077 4.578 -3.026 1.00 1.00 O ATOM 0 H GLY A 37 9.800 7.418 -3.285 1.00 1.00 H new ATOM 0 HA2 GLY A 37 12.451 6.481 -2.358 1.00 1.00 H new ATOM 0 HA3 GLY A 37 11.100 6.981 -1.360 1.00 1.00 H new ATOM 606 N ARG A 38 11.375 4.252 -1.227 1.00 1.00 N ATOM 607 CA ARG A 38 10.954 2.883 -0.920 1.00 1.00 C ATOM 608 C ARG A 38 10.953 2.769 0.598 1.00 1.00 C ATOM 609 O ARG A 38 11.977 3.067 1.211 1.00 1.00 O ATOM 610 CB ARG A 38 11.893 1.826 -1.517 1.00 1.00 C ATOM 611 CG ARG A 38 11.614 1.549 -2.998 1.00 1.00 C ATOM 612 CD ARG A 38 12.490 0.401 -3.518 1.00 1.00 C ATOM 613 NE ARG A 38 13.830 0.868 -3.919 1.00 1.00 N ATOM 614 CZ ARG A 38 14.975 0.729 -3.236 1.00 1.00 C ATOM 615 NH1 ARG A 38 14.973 0.271 -1.987 1.00 1.00 N ATOM 616 NH2 ARG A 38 16.133 1.048 -3.797 1.00 1.00 N ATOM 0 H ARG A 38 12.107 4.585 -0.600 1.00 1.00 H new ATOM 0 HA ARG A 38 9.972 2.696 -1.355 1.00 1.00 H new ATOM 0 HB2 ARG A 38 12.925 2.158 -1.403 1.00 1.00 H new ATOM 0 HB3 ARG A 38 11.792 0.898 -0.954 1.00 1.00 H new ATOM 0 HG2 ARG A 38 10.562 1.298 -3.133 1.00 1.00 H new ATOM 0 HG3 ARG A 38 11.804 2.449 -3.582 1.00 1.00 H new ATOM 0 HD2 ARG A 38 12.588 -0.360 -2.744 1.00 1.00 H new ATOM 0 HD3 ARG A 38 12.001 -0.072 -4.370 1.00 1.00 H new ATOM 0 HE ARG A 38 13.893 1.350 -4.816 1.00 1.00 H new ATOM 0 HH11 ARG A 38 14.093 0.020 -1.537 1.00 1.00 H new ATOM 0 HH12 ARG A 38 15.852 0.170 -1.479 1.00 1.00 H new ATOM 0 HH21 ARG A 38 16.156 1.401 -4.754 1.00 1.00 H new ATOM 0 HH22 ARG A 38 17.001 0.940 -3.272 1.00 1.00 H new ATOM 630 N ILE A 39 9.826 2.413 1.203 1.00 1.00 N ATOM 631 CA ILE A 39 9.710 2.245 2.645 1.00 1.00 C ATOM 632 C ILE A 39 10.154 0.797 2.933 1.00 1.00 C ATOM 633 O ILE A 39 9.563 -0.126 2.371 1.00 1.00 O ATOM 634 CB ILE A 39 8.261 2.535 3.114 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.659 3.830 2.505 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.263 2.645 4.647 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.187 4.082 2.855 1.00 1.00 C ATOM 0 H ILE A 39 8.958 2.231 0.700 1.00 1.00 H new ATOM 0 HA ILE A 39 10.335 2.947 3.197 1.00 1.00 H new ATOM 0 HB ILE A 39 7.634 1.713 2.768 1.00 1.00 H new ATOM 0 HG12 ILE A 39 8.249 4.682 2.843 1.00 1.00 H new ATOM 0 HG13 ILE A 39 7.757 3.784 1.420 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.252 2.849 4.998 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.615 1.708 5.079 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.924 3.456 4.953 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.855 5.008 2.386 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.580 3.253 2.492 1.00 1.00 H new ATOM 0 HD13 ILE A 39 6.079 4.164 3.937 1.00 1.00 H new ATOM 649 N PRO A 40 11.207 0.548 3.733 1.00 1.00 N ATOM 650 CA PRO A 40 11.692 -0.804 3.983 1.00 1.00 C ATOM 651 C PRO A 40 10.761 -1.563 4.935 1.00 1.00 C ATOM 652 O PRO A 40 9.998 -0.974 5.704 1.00 1.00 O ATOM 653 CB PRO A 40 13.089 -0.622 4.575 1.00 1.00 C ATOM 654 CG PRO A 40 12.943 0.691 5.340 1.00 1.00 C ATOM 655 CD PRO A 40 12.045 1.517 4.419 1.00 1.00 C ATOM 0 HA PRO A 40 11.720 -1.403 3.073 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.364 -1.448 5.231 1.00 1.00 H new ATOM 0 HB3 PRO A 40 13.855 -0.560 3.802 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.490 0.541 6.320 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.907 1.173 5.505 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.443 2.225 4.988 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.636 2.098 3.711 1.00 1.00 H new ATOM 663 N ARG A 41 10.894 -2.892 4.953 1.00 1.00 N ATOM 664 CA ARG A 41 10.020 -3.782 5.713 1.00 1.00 C ATOM 665 C ARG A 41 9.987 -3.419 7.198 1.00 1.00 C ATOM 666 O ARG A 41 8.902 -3.249 7.733 1.00 1.00 O ATOM 667 CB ARG A 41 10.387 -5.259 5.439 1.00 1.00 C ATOM 668 CG ARG A 41 9.239 -6.239 5.760 1.00 1.00 C ATOM 669 CD ARG A 41 9.606 -7.321 6.791 1.00 1.00 C ATOM 670 NE ARG A 41 8.415 -8.080 7.219 1.00 1.00 N ATOM 671 CZ ARG A 41 8.347 -9.317 7.732 1.00 1.00 C ATOM 672 NH1 ARG A 41 9.419 -10.101 7.801 1.00 1.00 N ATOM 673 NH2 ARG A 41 7.180 -9.761 8.184 1.00 1.00 N ATOM 0 H ARG A 41 11.621 -3.383 4.433 1.00 1.00 H new ATOM 0 HA ARG A 41 8.995 -3.645 5.368 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.668 -5.369 4.392 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.261 -5.526 6.033 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.385 -5.672 6.132 1.00 1.00 H new ATOM 0 HG3 ARG A 41 8.921 -6.724 4.837 1.00 1.00 H new ATOM 0 HD2 ARG A 41 10.339 -8.003 6.360 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.074 -6.856 7.658 1.00 1.00 H new ATOM 0 HE ARG A 41 7.523 -7.598 7.110 1.00 1.00 H new ATOM 0 HH11 ARG A 41 10.319 -9.765 7.459 1.00 1.00 H new ATOM 0 HH12 ARG A 41 9.341 -11.038 8.196 1.00 1.00 H new ATOM 0 HH21 ARG A 41 6.354 -9.164 8.138 1.00 1.00 H new ATOM 0 HH22 ARG A 41 7.109 -10.699 8.578 1.00 1.00 H new ATOM 687 N GLY A 42 11.129 -3.249 7.870 1.00 1.00 N ATOM 688 CA GLY A 42 11.143 -2.929 9.301 1.00 1.00 C ATOM 689 C GLY A 42 10.307 -1.684 9.635 1.00 1.00 C ATOM 690 O GLY A 42 9.508 -1.704 10.577 1.00 1.00 O ATOM 0 H GLY A 42 12.054 -3.327 7.448 1.00 1.00 H new ATOM 0 HA2 GLY A 42 10.761 -3.781 9.864 1.00 1.00 H new ATOM 0 HA3 GLY A 42 12.172 -2.769 9.624 1.00 1.00 H new ATOM 694 N ALA A 43 10.457 -0.630 8.825 1.00 1.00 N ATOM 695 CA ALA A 43 9.710 0.614 8.966 1.00 1.00 C ATOM 696 C ALA A 43 8.217 0.343 8.830 1.00 1.00 C ATOM 697 O ALA A 43 7.419 0.741 9.686 1.00 1.00 O ATOM 698 CB ALA A 43 10.182 1.623 7.912 1.00 1.00 C ATOM 0 H ALA A 43 11.112 -0.622 8.043 1.00 1.00 H new ATOM 0 HA ALA A 43 9.891 1.036 9.954 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.621 2.552 8.020 1.00 1.00 H new ATOM 0 HB2 ALA A 43 11.245 1.823 8.050 1.00 1.00 H new ATOM 0 HB3 ALA A 43 10.016 1.213 6.916 1.00 1.00 H new ATOM 704 N LEU A 44 7.842 -0.373 7.762 1.00 1.00 N ATOM 705 CA LEU A 44 6.467 -0.769 7.479 1.00 1.00 C ATOM 706 C LEU A 44 5.877 -1.602 8.617 1.00 1.00 C ATOM 707 O LEU A 44 4.675 -1.537 8.831 1.00 1.00 O ATOM 708 CB LEU A 44 6.394 -1.540 6.164 1.00 1.00 C ATOM 709 CG LEU A 44 6.690 -0.709 4.909 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.890 -1.658 3.738 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.534 0.254 4.612 1.00 1.00 C ATOM 0 H LEU A 44 8.505 -0.698 7.058 1.00 1.00 H new ATOM 0 HA LEU A 44 5.873 0.140 7.389 1.00 1.00 H new ATOM 0 HB2 LEU A 44 7.099 -2.370 6.207 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.398 -1.973 6.069 1.00 1.00 H new ATOM 0 HG LEU A 44 7.590 -0.115 5.070 1.00 1.00 H new ATOM 0 HD11 LEU A 44 7.102 -1.084 2.836 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.727 -2.324 3.948 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.985 -2.247 3.589 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.764 0.834 3.718 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.619 -0.315 4.450 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.396 0.929 5.457 1.00 1.00 H new ATOM 723 N LEU A 45 6.689 -2.399 9.318 1.00 1.00 N ATOM 724 CA LEU A 45 6.234 -3.162 10.476 1.00 1.00 C ATOM 725 C LEU A 45 5.970 -2.240 11.652 1.00 1.00 C ATOM 726 O LEU A 45 4.981 -2.470 12.346 1.00 1.00 O ATOM 727 CB LEU A 45 7.174 -4.299 10.893 1.00 1.00 C ATOM 728 CG LEU A 45 7.002 -5.604 10.103 1.00 1.00 C ATOM 729 CD1 LEU A 45 7.073 -5.519 8.583 1.00 1.00 C ATOM 730 CD2 LEU A 45 8.067 -6.602 10.560 1.00 1.00 C ATOM 0 H LEU A 45 7.676 -2.531 9.097 1.00 1.00 H new ATOM 0 HA LEU A 45 5.307 -3.642 10.163 1.00 1.00 H new ATOM 0 HB2 LEU A 45 8.203 -3.958 10.783 1.00 1.00 H new ATOM 0 HB3 LEU A 45 7.019 -4.509 11.951 1.00 1.00 H new ATOM 0 HG LEU A 45 5.978 -5.907 10.323 1.00 1.00 H new ATOM 0 HD11 LEU A 45 6.935 -6.512 8.156 1.00 1.00 H new ATOM 0 HD12 LEU A 45 6.289 -4.856 8.219 1.00 1.00 H new ATOM 0 HD13 LEU A 45 8.046 -5.128 8.286 1.00 1.00 H new ATOM 0 HD21 LEU A 45 7.955 -7.534 10.005 1.00 1.00 H new ATOM 0 HD22 LEU A 45 9.058 -6.187 10.375 1.00 1.00 H new ATOM 0 HD23 LEU A 45 7.949 -6.798 11.626 1.00 1.00 H new ATOM 742 N SER A 46 6.822 -1.244 11.937 1.00 1.00 N ATOM 743 CA SER A 46 6.490 -0.313 12.996 1.00 1.00 C ATOM 744 C SER A 46 5.241 0.521 12.675 1.00 1.00 C ATOM 745 O SER A 46 4.498 0.904 13.578 1.00 1.00 O ATOM 746 CB SER A 46 7.707 0.547 13.328 1.00 1.00 C ATOM 747 OG SER A 46 8.478 0.948 12.200 1.00 1.00 O ATOM 0 H SER A 46 7.710 -1.075 11.464 1.00 1.00 H new ATOM 0 HA SER A 46 6.227 -0.884 13.886 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.371 1.439 13.857 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.350 -0.006 14.012 1.00 1.00 H new ATOM 0 HG SER A 46 7.921 0.915 11.395 1.00 1.00 H new ATOM 753 N MET A 47 4.996 0.805 11.395 1.00 1.00 N ATOM 754 CA MET A 47 3.807 1.519 10.972 1.00 1.00 C ATOM 755 C MET A 47 2.576 0.614 10.958 1.00 1.00 C ATOM 756 O MET A 47 2.655 -0.592 10.725 1.00 1.00 O ATOM 757 CB MET A 47 4.033 2.082 9.567 1.00 1.00 C ATOM 758 CG MET A 47 5.005 3.263 9.581 1.00 1.00 C ATOM 759 SD MET A 47 4.787 4.414 8.200 1.00 1.00 S ATOM 760 CE MET A 47 4.957 3.293 6.793 1.00 1.00 C ATOM 0 H MET A 47 5.619 0.544 10.630 1.00 1.00 H new ATOM 0 HA MET A 47 3.625 2.323 11.685 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.423 1.297 8.919 1.00 1.00 H new ATOM 0 HB3 MET A 47 3.080 2.400 9.145 1.00 1.00 H new ATOM 0 HG2 MET A 47 4.885 3.808 10.517 1.00 1.00 H new ATOM 0 HG3 MET A 47 6.026 2.880 9.564 1.00 1.00 H new ATOM 0 HE1 MET A 47 4.936 3.866 5.866 1.00 1.00 H new ATOM 0 HE2 MET A 47 5.904 2.758 6.867 1.00 1.00 H new ATOM 0 HE3 MET A 47 4.134 2.578 6.796 1.00 1.00 H new ATOM 770 N ASP A 48 1.417 1.237 11.126 1.00 1.00 N ATOM 771 CA ASP A 48 0.067 0.683 11.054 1.00 1.00 C ATOM 772 C ASP A 48 -0.581 1.228 9.779 1.00 1.00 C ATOM 773 O ASP A 48 0.111 1.669 8.857 1.00 1.00 O ATOM 774 CB ASP A 48 -0.750 1.057 12.302 1.00 1.00 C ATOM 775 CG ASP A 48 -0.760 2.561 12.577 1.00 1.00 C ATOM 776 OD1 ASP A 48 -1.251 3.336 11.730 1.00 1.00 O ATOM 777 OD2 ASP A 48 -0.239 2.954 13.646 1.00 1.00 O ATOM 0 H ASP A 48 1.394 2.235 11.336 1.00 1.00 H new ATOM 0 HA ASP A 48 0.101 -0.406 11.023 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.775 0.709 12.177 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.340 0.537 13.168 1.00 1.00 H new ATOM 782 N ALA A 49 -1.901 1.124 9.696 1.00 1.00 N ATOM 783 CA ALA A 49 -2.706 1.584 8.579 1.00 1.00 C ATOM 784 C ALA A 49 -2.681 3.100 8.389 1.00 1.00 C ATOM 785 O ALA A 49 -2.521 3.558 7.255 1.00 1.00 O ATOM 786 CB ALA A 49 -4.156 1.142 8.830 1.00 1.00 C ATOM 0 H ALA A 49 -2.460 0.699 10.436 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.288 1.149 7.671 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.786 1.475 8.005 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.198 0.055 8.903 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.515 1.582 9.760 1.00 1.00 H new ATOM 792 N LEU A 50 -2.900 3.882 9.449 1.00 1.00 N ATOM 793 CA LEU A 50 -2.985 5.338 9.365 1.00 1.00 C ATOM 794 C LEU A 50 -1.592 5.885 9.092 1.00 1.00 C ATOM 795 O LEU A 50 -1.417 6.694 8.178 1.00 1.00 O ATOM 796 CB LEU A 50 -3.613 5.899 10.650 1.00 1.00 C ATOM 797 CG LEU A 50 -4.012 7.390 10.569 1.00 1.00 C ATOM 798 CD1 LEU A 50 -5.035 7.702 11.672 1.00 1.00 C ATOM 799 CD2 LEU A 50 -2.829 8.361 10.718 1.00 1.00 C ATOM 0 H LEU A 50 -3.024 3.519 10.394 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.633 5.650 8.546 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -4.498 5.312 10.893 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.908 5.768 11.471 1.00 1.00 H new ATOM 0 HG LEU A 50 -4.428 7.540 9.572 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -5.319 8.753 11.618 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -5.919 7.080 11.535 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -4.594 7.495 12.647 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -3.190 9.387 10.650 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -2.352 8.207 11.686 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -2.105 8.178 9.924 1.00 1.00 H new ATOM 811 N ASP A 51 -0.601 5.368 9.820 1.00 1.00 N ATOM 812 CA ASP A 51 0.800 5.710 9.638 1.00 1.00 C ATOM 813 C ASP A 51 1.222 5.448 8.208 1.00 1.00 C ATOM 814 O ASP A 51 1.863 6.315 7.604 1.00 1.00 O ATOM 815 CB ASP A 51 1.720 4.895 10.552 1.00 1.00 C ATOM 816 CG ASP A 51 1.858 5.373 11.986 1.00 1.00 C ATOM 817 OD1 ASP A 51 1.351 6.459 12.353 1.00 1.00 O ATOM 818 OD2 ASP A 51 2.679 4.764 12.705 1.00 1.00 O ATOM 0 H ASP A 51 -0.758 4.688 10.564 1.00 1.00 H new ATOM 0 HA ASP A 51 0.895 6.767 9.888 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.357 3.867 10.570 1.00 1.00 H new ATOM 0 HB3 ASP A 51 2.713 4.875 10.104 1.00 1.00 H new ATOM 823 N LEU A 52 0.887 4.267 7.662 1.00 1.00 N ATOM 824 CA LEU A 52 1.176 3.990 6.271 1.00 1.00 C ATOM 825 C LEU A 52 0.437 4.978 5.399 1.00 1.00 C ATOM 826 O LEU A 52 1.095 5.579 4.575 1.00 1.00 O ATOM 827 CB LEU A 52 0.813 2.551 5.882 1.00 1.00 C ATOM 828 CG LEU A 52 0.855 2.335 4.344 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.812 1.226 3.915 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.544 2.060 3.787 1.00 1.00 C ATOM 0 H LEU A 52 0.424 3.509 8.164 1.00 1.00 H new ATOM 0 HA LEU A 52 2.250 4.098 6.120 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.504 1.860 6.364 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.184 2.316 6.254 1.00 1.00 H new ATOM 0 HG LEU A 52 1.236 3.266 3.925 1.00 1.00 H new ATOM 0 HD11 LEU A 52 1.792 1.128 2.830 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.823 1.472 4.239 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.505 0.284 4.370 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.484 1.913 2.709 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.952 1.163 4.253 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.194 2.908 4.002 1.00 1.00 H new ATOM 842 N THR A 53 -0.874 5.144 5.526 1.00 1.00 N ATOM 843 CA THR A 53 -1.651 6.004 4.650 1.00 1.00 C ATOM 844 C THR A 53 -0.972 7.366 4.477 1.00 1.00 C ATOM 845 O THR A 53 -0.670 7.772 3.351 1.00 1.00 O ATOM 846 CB THR A 53 -3.077 6.095 5.221 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.680 4.819 5.209 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.967 7.054 4.444 1.00 1.00 C ATOM 0 H THR A 53 -1.429 4.681 6.246 1.00 1.00 H new ATOM 0 HA THR A 53 -1.711 5.588 3.644 1.00 1.00 H new ATOM 0 HB THR A 53 -2.979 6.475 6.238 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.472 4.351 6.045 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.959 7.075 4.894 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.535 8.054 4.471 1.00 1.00 H new ATOM 0 HG23 THR A 53 -4.045 6.720 3.409 1.00 1.00 H new ATOM 856 N ASP A 54 -0.684 8.039 5.590 1.00 1.00 N ATOM 857 CA ASP A 54 0.018 9.314 5.535 1.00 1.00 C ATOM 858 C ASP A 54 1.389 9.208 4.890 1.00 1.00 C ATOM 859 O ASP A 54 1.685 10.020 4.004 1.00 1.00 O ATOM 860 CB ASP A 54 0.130 10.029 6.878 1.00 1.00 C ATOM 861 CG ASP A 54 -1.118 10.811 7.301 1.00 1.00 C ATOM 862 OD1 ASP A 54 -1.811 11.384 6.418 1.00 1.00 O ATOM 863 OD2 ASP A 54 -1.312 10.998 8.517 1.00 1.00 O ATOM 0 H ASP A 54 -0.924 7.724 6.530 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.619 9.928 4.899 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.356 9.291 7.648 1.00 1.00 H new ATOM 0 HB3 ASP A 54 0.975 10.717 6.837 1.00 1.00 H new ATOM 868 N LYS A 55 2.216 8.240 5.310 1.00 1.00 N ATOM 869 CA LYS A 55 3.571 8.118 4.771 1.00 1.00 C ATOM 870 C LYS A 55 3.529 7.824 3.287 1.00 1.00 C ATOM 871 O LYS A 55 4.154 8.517 2.500 1.00 1.00 O ATOM 872 CB LYS A 55 4.406 7.049 5.499 1.00 1.00 C ATOM 873 CG LYS A 55 5.906 7.297 5.199 1.00 1.00 C ATOM 874 CD LYS A 55 6.869 6.862 6.312 1.00 1.00 C ATOM 875 CE LYS A 55 7.275 7.995 7.270 1.00 1.00 C ATOM 876 NZ LYS A 55 6.136 8.737 7.847 1.00 1.00 N ATOM 0 H LYS A 55 1.972 7.541 6.011 1.00 1.00 H new ATOM 0 HA LYS A 55 4.061 9.077 4.937 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.223 7.094 6.573 1.00 1.00 H new ATOM 0 HB3 LYS A 55 4.115 6.052 5.168 1.00 1.00 H new ATOM 0 HG2 LYS A 55 6.170 6.769 4.283 1.00 1.00 H new ATOM 0 HG3 LYS A 55 6.052 8.360 5.007 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.403 6.063 6.889 1.00 1.00 H new ATOM 0 HD3 LYS A 55 7.768 6.445 5.858 1.00 1.00 H new ATOM 0 HE2 LYS A 55 7.869 7.574 8.082 1.00 1.00 H new ATOM 0 HE3 LYS A 55 7.917 8.695 6.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 6.489 9.448 8.519 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 5.609 9.211 7.086 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 5.506 8.075 8.343 1.00 1.00 H new ATOM 890 N LEU A 56 2.814 6.780 2.905 1.00 1.00 N ATOM 891 CA LEU A 56 2.692 6.255 1.564 1.00 1.00 C ATOM 892 C LEU A 56 2.139 7.356 0.656 1.00 1.00 C ATOM 893 O LEU A 56 2.456 7.374 -0.527 1.00 1.00 O ATOM 894 CB LEU A 56 1.892 4.950 1.700 1.00 1.00 C ATOM 895 CG LEU A 56 1.843 3.945 0.549 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.804 4.357 -0.476 1.00 1.00 C ATOM 897 CD2 LEU A 56 3.191 3.711 -0.133 1.00 1.00 C ATOM 0 H LEU A 56 2.266 6.241 3.575 1.00 1.00 H new ATOM 0 HA LEU A 56 3.624 5.982 1.069 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.282 4.423 2.571 1.00 1.00 H new ATOM 0 HB3 LEU A 56 0.863 5.226 1.930 1.00 1.00 H new ATOM 0 HG LEU A 56 1.563 2.994 1.001 1.00 1.00 H new ATOM 0 HD11 LEU A 56 0.784 3.629 -1.287 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.177 4.399 -0.003 1.00 1.00 H new ATOM 0 HD13 LEU A 56 1.057 5.339 -0.876 1.00 1.00 H new ATOM 0 HD21 LEU A 56 3.071 2.986 -0.938 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.559 4.651 -0.544 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.906 3.329 0.596 1.00 1.00 H new ATOM 909 N VAL A 57 1.348 8.301 1.177 1.00 1.00 N ATOM 910 CA VAL A 57 0.905 9.438 0.389 1.00 1.00 C ATOM 911 C VAL A 57 2.001 10.513 0.337 1.00 1.00 C ATOM 912 O VAL A 57 2.455 10.849 -0.756 1.00 1.00 O ATOM 913 CB VAL A 57 -0.461 9.939 0.900 1.00 1.00 C ATOM 914 CG1 VAL A 57 -0.761 11.393 0.508 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.527 9.007 0.294 1.00 1.00 C ATOM 0 H VAL A 57 1.007 8.294 2.138 1.00 1.00 H new ATOM 0 HA VAL A 57 0.741 9.140 -0.647 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.459 9.920 1.990 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.737 11.681 0.899 1.00 1.00 H new ATOM 0 HG12 VAL A 57 0.005 12.047 0.924 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -0.764 11.484 -0.578 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.516 9.321 0.627 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.478 9.056 -0.794 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.343 7.983 0.619 1.00 1.00 H new ATOM 925 N SER A 58 2.463 11.050 1.468 1.00 1.00 N ATOM 926 CA SER A 58 3.413 12.158 1.465 1.00 1.00 C ATOM 927 C SER A 58 4.793 11.810 0.900 1.00 1.00 C ATOM 928 O SER A 58 5.457 12.699 0.365 1.00 1.00 O ATOM 929 CB SER A 58 3.561 12.712 2.884 1.00 1.00 C ATOM 930 OG SER A 58 4.075 14.037 2.819 1.00 1.00 O ATOM 0 H SER A 58 2.192 10.733 2.399 1.00 1.00 H new ATOM 0 HA SER A 58 2.996 12.908 0.792 1.00 1.00 H new ATOM 0 HB2 SER A 58 2.596 12.708 3.391 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.230 12.078 3.467 1.00 1.00 H new ATOM 0 HG SER A 58 4.170 14.396 3.726 1.00 1.00 H new ATOM 936 N PHE A 59 5.257 10.575 1.051 1.00 1.00 N ATOM 937 CA PHE A 59 6.538 10.079 0.546 1.00 1.00 C ATOM 938 C PHE A 59 6.475 9.836 -0.963 1.00 1.00 C ATOM 939 O PHE A 59 7.527 9.706 -1.600 1.00 1.00 O ATOM 940 CB PHE A 59 6.850 8.785 1.307 1.00 1.00 C ATOM 941 CG PHE A 59 8.263 8.240 1.268 1.00 1.00 C ATOM 942 CD1 PHE A 59 9.340 8.998 1.764 1.00 1.00 C ATOM 943 CD2 PHE A 59 8.474 6.906 0.878 1.00 1.00 C ATOM 944 CE1 PHE A 59 10.619 8.418 1.868 1.00 1.00 C ATOM 945 CE2 PHE A 59 9.746 6.328 0.995 1.00 1.00 C ATOM 946 CZ PHE A 59 10.826 7.080 1.488 1.00 1.00 C ATOM 0 H PHE A 59 4.730 9.858 1.550 1.00 1.00 H new ATOM 0 HA PHE A 59 7.327 10.814 0.707 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.586 8.945 2.352 1.00 1.00 H new ATOM 0 HB3 PHE A 59 6.186 8.009 0.926 1.00 1.00 H new ATOM 0 HD1 PHE A 59 9.186 10.024 2.065 1.00 1.00 H new ATOM 0 HD2 PHE A 59 7.653 6.324 0.487 1.00 1.00 H new ATOM 0 HE1 PHE A 59 11.446 9.004 2.242 1.00 1.00 H new ATOM 0 HE2 PHE A 59 9.897 5.299 0.705 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.806 6.634 1.574 1.00 1.00 H new ATOM 956 N TYR A 60 5.272 9.816 -1.544 1.00 1.00 N ATOM 957 CA TYR A 60 5.077 9.670 -2.971 1.00 1.00 C ATOM 958 C TYR A 60 4.333 10.894 -3.504 1.00 1.00 C ATOM 959 O TYR A 60 4.979 11.922 -3.675 1.00 1.00 O ATOM 960 CB TYR A 60 4.386 8.323 -3.224 1.00 1.00 C ATOM 961 CG TYR A 60 5.291 7.125 -2.994 1.00 1.00 C ATOM 962 CD1 TYR A 60 6.152 6.699 -4.021 1.00 1.00 C ATOM 963 CD2 TYR A 60 5.290 6.436 -1.766 1.00 1.00 C ATOM 964 CE1 TYR A 60 6.941 5.549 -3.856 1.00 1.00 C ATOM 965 CE2 TYR A 60 6.076 5.285 -1.589 1.00 1.00 C ATOM 966 CZ TYR A 60 6.891 4.832 -2.643 1.00 1.00 C ATOM 967 OH TYR A 60 7.656 3.723 -2.478 1.00 1.00 O ATOM 0 H TYR A 60 4.401 9.903 -1.021 1.00 1.00 H new ATOM 0 HA TYR A 60 6.016 9.642 -3.524 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.516 8.242 -2.572 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.019 8.299 -4.250 1.00 1.00 H new ATOM 0 HD1 TYR A 60 6.207 7.260 -4.942 1.00 1.00 H new ATOM 0 HD2 TYR A 60 4.679 6.796 -0.952 1.00 1.00 H new ATOM 0 HE1 TYR A 60 7.585 5.215 -4.656 1.00 1.00 H new ATOM 0 HE2 TYR A 60 6.055 4.751 -0.650 1.00 1.00 H new ATOM 0 HH TYR A 60 8.482 3.815 -2.997 1.00 1.00 H new ATOM 977 N LEU A 61 2.999 10.836 -3.656 1.00 1.00 N ATOM 978 CA LEU A 61 2.078 11.898 -4.078 1.00 1.00 C ATOM 979 C LEU A 61 0.683 11.501 -3.568 1.00 1.00 C ATOM 980 O LEU A 61 0.401 10.304 -3.440 1.00 1.00 O ATOM 981 CB LEU A 61 1.982 12.034 -5.612 1.00 1.00 C ATOM 982 CG LEU A 61 3.047 12.804 -6.420 1.00 1.00 C ATOM 983 CD1 LEU A 61 3.536 14.076 -5.724 1.00 1.00 C ATOM 984 CD2 LEU A 61 4.195 11.913 -6.910 1.00 1.00 C ATOM 0 H LEU A 61 2.497 9.968 -3.470 1.00 1.00 H new ATOM 0 HA LEU A 61 2.441 12.846 -3.680 1.00 1.00 H new ATOM 0 HB2 LEU A 61 1.945 11.023 -6.018 1.00 1.00 H new ATOM 0 HB3 LEU A 61 1.021 12.500 -5.829 1.00 1.00 H new ATOM 0 HG LEU A 61 2.532 13.143 -7.319 1.00 1.00 H new ATOM 0 HD11 LEU A 61 4.283 14.568 -6.347 1.00 1.00 H new ATOM 0 HD12 LEU A 61 2.695 14.751 -5.566 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.979 13.817 -4.762 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.909 12.516 -7.471 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.695 11.461 -6.054 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.797 11.129 -7.554 1.00 1.00 H new ATOM 996 N GLU A 62 -0.228 12.471 -3.398 1.00 1.00 N ATOM 997 CA GLU A 62 -1.611 12.220 -2.970 1.00 1.00 C ATOM 998 C GLU A 62 -2.376 11.282 -3.913 1.00 1.00 C ATOM 999 O GLU A 62 -3.303 10.615 -3.456 1.00 1.00 O ATOM 1000 CB GLU A 62 -2.406 13.523 -2.763 1.00 1.00 C ATOM 1001 CG GLU A 62 -1.891 14.496 -1.688 1.00 1.00 C ATOM 1002 CD GLU A 62 -1.047 15.620 -2.298 1.00 1.00 C ATOM 1003 OE1 GLU A 62 0.035 15.299 -2.843 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -1.479 16.798 -2.266 1.00 1.00 O ATOM 0 H GLU A 62 -0.024 13.458 -3.555 1.00 1.00 H new ATOM 0 HA GLU A 62 -1.519 11.715 -2.009 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -2.437 14.055 -3.714 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -3.433 13.256 -2.514 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -2.737 14.926 -1.151 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -1.295 13.949 -0.958 1.00 1.00 H new ATOM 1011 N THR A 63 -2.018 11.221 -5.198 1.00 1.00 N ATOM 1012 CA THR A 63 -2.615 10.273 -6.138 1.00 1.00 C ATOM 1013 C THR A 63 -1.774 8.989 -6.213 1.00 1.00 C ATOM 1014 O THR A 63 -2.337 7.898 -6.099 1.00 1.00 O ATOM 1015 CB THR A 63 -2.805 10.938 -7.513 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.703 12.029 -7.426 1.00 1.00 O ATOM 1017 CG2 THR A 63 -3.416 9.982 -8.544 1.00 1.00 C ATOM 0 H THR A 63 -1.309 11.825 -5.613 1.00 1.00 H new ATOM 0 HA THR A 63 -3.603 9.982 -5.782 1.00 1.00 H new ATOM 0 HB THR A 63 -1.808 11.251 -7.823 1.00 1.00 H new ATOM 0 HG1 THR A 63 -3.808 12.438 -8.310 1.00 1.00 H new ATOM 0 HG21 THR A 63 -3.530 10.499 -9.497 1.00 1.00 H new ATOM 0 HG22 THR A 63 -2.761 9.120 -8.674 1.00 1.00 H new ATOM 0 HG23 THR A 63 -4.392 9.646 -8.195 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.441 9.085 -6.378 1.00 1.00 N ATOM 1026 CA TYR A 64 0.413 7.907 -6.569 1.00 1.00 C ATOM 1027 C TYR A 64 0.250 6.906 -5.421 1.00 1.00 C ATOM 1028 O TYR A 64 0.226 5.705 -5.680 1.00 1.00 O ATOM 1029 CB TYR A 64 1.895 8.296 -6.789 1.00 1.00 C ATOM 1030 CG TYR A 64 2.891 7.171 -7.099 1.00 1.00 C ATOM 1031 CD1 TYR A 64 2.470 5.901 -7.546 1.00 1.00 C ATOM 1032 CD2 TYR A 64 4.277 7.391 -6.954 1.00 1.00 C ATOM 1033 CE1 TYR A 64 3.370 4.840 -7.729 1.00 1.00 C ATOM 1034 CE2 TYR A 64 5.194 6.349 -7.198 1.00 1.00 C ATOM 1035 CZ TYR A 64 4.745 5.056 -7.531 1.00 1.00 C ATOM 1036 OH TYR A 64 5.638 4.047 -7.726 1.00 1.00 O ATOM 0 H TYR A 64 0.065 9.971 -6.382 1.00 1.00 H new ATOM 0 HA TYR A 64 0.080 7.412 -7.481 1.00 1.00 H new ATOM 0 HB2 TYR A 64 1.935 9.014 -7.608 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.242 8.813 -5.895 1.00 1.00 H new ATOM 0 HD1 TYR A 64 1.422 5.740 -7.754 1.00 1.00 H new ATOM 0 HD2 TYR A 64 4.637 8.364 -6.654 1.00 1.00 H new ATOM 0 HE1 TYR A 64 3.009 3.865 -8.020 1.00 1.00 H new ATOM 0 HE2 TYR A 64 6.254 6.544 -7.129 1.00 1.00 H new ATOM 0 HH TYR A 64 6.543 4.418 -7.782 1.00 1.00 H new ATOM 1046 N GLY A 65 0.060 7.364 -4.179 1.00 1.00 N ATOM 1047 CA GLY A 65 -0.058 6.447 -3.056 1.00 1.00 C ATOM 1048 C GLY A 65 -1.160 5.389 -3.259 1.00 1.00 C ATOM 1049 O GLY A 65 -0.977 4.219 -2.914 1.00 1.00 O ATOM 0 H GLY A 65 -0.014 8.352 -3.934 1.00 1.00 H new ATOM 0 HA2 GLY A 65 0.897 5.945 -2.902 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.269 7.015 -2.150 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.303 5.762 -3.846 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.384 4.804 -4.066 1.00 1.00 C ATOM 1055 C ALA A 66 -3.060 3.823 -5.189 1.00 1.00 C ATOM 1056 O ALA A 66 -3.438 2.657 -5.088 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.692 5.535 -4.342 1.00 1.00 C ATOM 0 H ALA A 66 -2.499 6.708 -4.172 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.496 4.218 -3.154 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.488 4.808 -4.504 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -4.944 6.165 -3.489 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.581 6.156 -5.231 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.353 4.279 -6.230 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.895 3.406 -7.310 1.00 1.00 C ATOM 1065 C GLU A 67 -0.980 2.377 -6.668 1.00 1.00 C ATOM 1066 O GLU A 67 -1.276 1.194 -6.767 1.00 1.00 O ATOM 1067 CB GLU A 67 -1.164 4.175 -8.425 1.00 1.00 C ATOM 1068 CG GLU A 67 -1.092 3.472 -9.798 1.00 1.00 C ATOM 1069 CD GLU A 67 -0.350 2.124 -9.867 1.00 1.00 C ATOM 1070 OE1 GLU A 67 0.889 2.088 -10.058 1.00 1.00 O ATOM 1071 OE2 GLU A 67 -1.033 1.075 -9.855 1.00 1.00 O ATOM 0 H GLU A 67 -2.085 5.257 -6.344 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.749 2.937 -7.798 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.657 5.138 -8.558 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -0.147 4.381 -8.091 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -2.112 3.313 -10.149 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -0.616 4.155 -10.501 1.00 1.00 H new ATOM 1078 N LEU A 68 0.062 2.825 -5.947 1.00 1.00 N ATOM 1079 CA LEU A 68 1.027 1.967 -5.269 1.00 1.00 C ATOM 1080 C LEU A 68 0.290 0.901 -4.472 1.00 1.00 C ATOM 1081 O LEU A 68 0.529 -0.285 -4.681 1.00 1.00 O ATOM 1082 CB LEU A 68 1.971 2.779 -4.355 1.00 1.00 C ATOM 1083 CG LEU A 68 3.060 1.892 -3.720 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.247 2.761 -3.293 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.559 1.095 -2.511 1.00 1.00 C ATOM 0 H LEU A 68 0.254 3.819 -5.821 1.00 1.00 H new ATOM 0 HA LEU A 68 1.648 1.487 -6.025 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.442 3.574 -4.934 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.390 3.260 -3.568 1.00 1.00 H new ATOM 0 HG LEU A 68 3.360 1.170 -4.480 1.00 1.00 H new ATOM 0 HD11 LEU A 68 5.016 2.132 -2.844 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.658 3.270 -4.165 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.913 3.501 -2.565 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.373 0.491 -2.110 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.205 1.783 -1.743 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.741 0.443 -2.818 1.00 1.00 H new ATOM 1097 N THR A 69 -0.587 1.326 -3.564 1.00 1.00 N ATOM 1098 CA THR A 69 -1.337 0.435 -2.695 1.00 1.00 C ATOM 1099 C THR A 69 -2.051 -0.623 -3.545 1.00 1.00 C ATOM 1100 O THR A 69 -1.794 -1.812 -3.365 1.00 1.00 O ATOM 1101 CB THR A 69 -2.278 1.257 -1.799 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.544 2.233 -1.101 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.996 0.412 -0.745 1.00 1.00 C ATOM 0 H THR A 69 -0.796 2.313 -3.413 1.00 1.00 H new ATOM 0 HA THR A 69 -0.673 -0.107 -2.021 1.00 1.00 H new ATOM 0 HB THR A 69 -3.018 1.695 -2.470 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.370 2.996 -1.691 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.644 1.051 -0.146 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.596 -0.353 -1.239 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.260 -0.066 -0.098 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.885 -0.217 -4.511 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.603 -1.151 -5.373 1.00 1.00 C ATOM 1113 C ALA A 70 -2.637 -2.056 -6.160 1.00 1.00 C ATOM 1114 O ALA A 70 -2.979 -3.200 -6.431 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.467 -0.364 -6.370 1.00 1.00 C ATOM 0 H ALA A 70 -3.077 0.764 -4.713 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.225 -1.781 -4.737 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -5.004 -1.060 -7.015 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -5.183 0.251 -5.825 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.828 0.276 -6.979 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.460 -1.558 -6.550 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.447 -2.235 -7.363 1.00 1.00 C ATOM 1123 C ASN A 71 0.155 -3.407 -6.592 1.00 1.00 C ATOM 1124 O ASN A 71 0.147 -4.547 -7.055 1.00 1.00 O ATOM 1125 CB ASN A 71 0.660 -1.230 -7.736 1.00 1.00 C ATOM 1126 CG ASN A 71 1.472 -1.643 -8.945 1.00 1.00 C ATOM 1127 OD1 ASN A 71 1.905 -2.785 -9.064 1.00 1.00 O ATOM 1128 ND2 ASN A 71 1.717 -0.723 -9.863 1.00 1.00 N ATOM 0 H ASN A 71 -1.172 -0.614 -6.291 1.00 1.00 H new ATOM 0 HA ASN A 71 -0.914 -2.619 -8.270 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.206 -0.258 -7.928 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.329 -1.107 -6.884 1.00 1.00 H new ATOM 0 HD21 ASN A 71 2.273 -0.958 -10.685 1.00 1.00 H new ATOM 0 HD22 ASN A 71 1.350 0.222 -9.749 1.00 1.00 H new ATOM 1135 N VAL A 72 0.662 -3.118 -5.394 1.00 1.00 N ATOM 1136 CA VAL A 72 1.197 -4.114 -4.468 1.00 1.00 C ATOM 1137 C VAL A 72 0.084 -5.114 -4.110 1.00 1.00 C ATOM 1138 O VAL A 72 0.320 -6.316 -4.020 1.00 1.00 O ATOM 1139 CB VAL A 72 1.759 -3.413 -3.210 1.00 1.00 C ATOM 1140 CG1 VAL A 72 2.334 -4.423 -2.206 1.00 1.00 C ATOM 1141 CG2 VAL A 72 2.872 -2.387 -3.496 1.00 1.00 C ATOM 0 H VAL A 72 0.713 -2.165 -5.033 1.00 1.00 H new ATOM 0 HA VAL A 72 2.016 -4.661 -4.934 1.00 1.00 H new ATOM 0 HB VAL A 72 0.895 -2.888 -2.803 1.00 1.00 H new ATOM 0 HG11 VAL A 72 2.719 -3.892 -1.336 1.00 1.00 H new ATOM 0 HG12 VAL A 72 1.549 -5.112 -1.893 1.00 1.00 H new ATOM 0 HG13 VAL A 72 3.142 -4.983 -2.676 1.00 1.00 H new ATOM 0 HG21 VAL A 72 3.208 -1.944 -2.559 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.710 -2.886 -3.983 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.486 -1.605 -4.150 1.00 1.00 H new ATOM 1151 N LEU A 73 -1.145 -4.640 -3.913 1.00 1.00 N ATOM 1152 CA LEU A 73 -2.282 -5.503 -3.617 1.00 1.00 C ATOM 1153 C LEU A 73 -2.570 -6.443 -4.792 1.00 1.00 C ATOM 1154 O LEU A 73 -2.773 -7.639 -4.595 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.470 -4.616 -3.218 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.327 -4.041 -1.788 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.418 -2.999 -1.527 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.292 -5.043 -0.623 1.00 1.00 C ATOM 0 H LEU A 73 -1.378 -3.648 -3.954 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.067 -6.162 -2.776 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.561 -3.795 -3.929 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.390 -5.196 -3.282 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.329 -3.603 -1.794 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.308 -2.601 -0.518 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.326 -2.188 -2.249 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.398 -3.465 -1.628 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -3.189 -4.503 0.318 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.217 -5.620 -0.611 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.445 -5.718 -0.749 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.527 -5.934 -6.019 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.669 -6.746 -7.227 1.00 1.00 C ATOM 1172 C ARG A 74 -1.574 -7.814 -7.285 1.00 1.00 C ATOM 1173 O ARG A 74 -1.861 -8.944 -7.677 1.00 1.00 O ATOM 1174 CB ARG A 74 -2.674 -5.857 -8.478 1.00 1.00 C ATOM 1175 CG ARG A 74 -3.327 -6.580 -9.666 1.00 1.00 C ATOM 1176 CD ARG A 74 -3.028 -5.895 -11.001 1.00 1.00 C ATOM 1177 NE ARG A 74 -3.302 -4.441 -10.980 1.00 1.00 N ATOM 1178 CZ ARG A 74 -2.477 -3.498 -11.452 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -1.471 -3.828 -12.250 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -2.654 -2.228 -11.117 1.00 1.00 N ATOM 0 H ARG A 74 -2.392 -4.941 -6.207 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.628 -7.264 -7.195 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.213 -4.933 -8.269 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -1.652 -5.579 -8.735 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -2.971 -7.610 -9.701 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -4.406 -6.620 -9.515 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -1.982 -6.058 -11.260 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -3.627 -6.361 -11.784 1.00 1.00 H new ATOM 0 HE ARG A 74 -4.186 -4.134 -10.575 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -1.323 -4.804 -12.507 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -0.845 -3.106 -12.607 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -3.421 -1.966 -10.498 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -2.023 -1.513 -11.479 1.00 1.00 H new ATOM 1194 N ASP A 75 -0.335 -7.486 -6.894 1.00 1.00 N ATOM 1195 CA ASP A 75 0.770 -8.448 -6.800 1.00 1.00 C ATOM 1196 C ASP A 75 0.394 -9.558 -5.819 1.00 1.00 C ATOM 1197 O ASP A 75 0.551 -10.736 -6.131 1.00 1.00 O ATOM 1198 CB ASP A 75 2.068 -7.740 -6.384 1.00 1.00 C ATOM 1199 CG ASP A 75 3.335 -8.600 -6.441 1.00 1.00 C ATOM 1200 OD1 ASP A 75 3.280 -9.843 -6.357 1.00 1.00 O ATOM 1201 OD2 ASP A 75 4.422 -8.011 -6.641 1.00 1.00 O ATOM 0 H ASP A 75 -0.070 -6.537 -6.632 1.00 1.00 H new ATOM 0 HA ASP A 75 0.947 -8.897 -7.777 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.210 -6.872 -7.027 1.00 1.00 H new ATOM 0 HB3 ASP A 75 1.948 -7.367 -5.367 1.00 1.00 H new ATOM 1206 N MET A 76 -0.213 -9.207 -4.679 1.00 1.00 N ATOM 1207 CA MET A 76 -0.706 -10.187 -3.710 1.00 1.00 C ATOM 1208 C MET A 76 -1.786 -11.115 -4.291 1.00 1.00 C ATOM 1209 O MET A 76 -2.008 -12.201 -3.754 1.00 1.00 O ATOM 1210 CB MET A 76 -1.231 -9.497 -2.438 1.00 1.00 C ATOM 1211 CG MET A 76 -0.225 -8.560 -1.752 1.00 1.00 C ATOM 1212 SD MET A 76 0.534 -9.239 -0.261 1.00 1.00 S ATOM 1213 CE MET A 76 -0.873 -9.142 0.884 1.00 1.00 C ATOM 0 H MET A 76 -0.375 -8.238 -4.405 1.00 1.00 H new ATOM 0 HA MET A 76 0.150 -10.810 -3.451 1.00 1.00 H new ATOM 0 HB2 MET A 76 -2.123 -8.925 -2.694 1.00 1.00 H new ATOM 0 HB3 MET A 76 -1.537 -10.263 -1.726 1.00 1.00 H new ATOM 0 HG2 MET A 76 0.562 -8.309 -2.463 1.00 1.00 H new ATOM 0 HG3 MET A 76 -0.731 -7.629 -1.495 1.00 1.00 H new ATOM 0 HE1 MET A 76 -0.799 -9.943 1.620 1.00 1.00 H new ATOM 0 HE2 MET A 76 -0.861 -8.179 1.394 1.00 1.00 H new ATOM 0 HE3 MET A 76 -1.804 -9.246 0.326 1.00 1.00 H new ATOM 1223 N GLY A 77 -2.424 -10.744 -5.400 1.00 1.00 N ATOM 1224 CA GLY A 77 -3.502 -11.488 -6.050 1.00 1.00 C ATOM 1225 C GLY A 77 -4.891 -10.971 -5.662 1.00 1.00 C ATOM 1226 O GLY A 77 -5.911 -11.578 -6.010 1.00 1.00 O ATOM 0 H GLY A 77 -2.194 -9.880 -5.891 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -3.383 -11.423 -7.132 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -3.423 -12.542 -5.784 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.964 -9.872 -4.923 1.00 1.00 N ATOM 1231 CA LEU A 78 -6.184 -9.178 -4.545 1.00 1.00 C ATOM 1232 C LEU A 78 -6.561 -8.293 -5.736 1.00 1.00 C ATOM 1233 O LEU A 78 -5.728 -7.526 -6.212 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.863 -8.423 -3.247 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.895 -7.423 -2.703 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -6.329 -6.896 -1.384 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -7.093 -6.225 -3.637 1.00 1.00 C ATOM 0 H LEU A 78 -4.129 -9.418 -4.553 1.00 1.00 H new ATOM 0 HA LEU A 78 -7.045 -9.814 -4.338 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.679 -9.165 -2.470 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.928 -7.884 -3.400 1.00 1.00 H new ATOM 0 HG LEU A 78 -7.857 -7.925 -2.596 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -7.025 -6.178 -0.951 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -6.186 -7.726 -0.692 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -5.372 -6.408 -1.568 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.832 -5.548 -3.208 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -6.146 -5.699 -3.760 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.442 -6.575 -4.608 1.00 1.00 H new ATOM 1249 N GLN A 79 -7.787 -8.402 -6.248 1.00 1.00 N ATOM 1250 CA GLN A 79 -8.288 -7.559 -7.338 1.00 1.00 C ATOM 1251 C GLN A 79 -9.563 -6.797 -6.954 1.00 1.00 C ATOM 1252 O GLN A 79 -9.817 -5.728 -7.504 1.00 1.00 O ATOM 1253 CB GLN A 79 -8.414 -8.368 -8.644 1.00 1.00 C ATOM 1254 CG GLN A 79 -9.157 -9.714 -8.589 1.00 1.00 C ATOM 1255 CD GLN A 79 -10.654 -9.587 -8.318 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -11.400 -9.077 -9.146 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -11.116 -10.054 -7.172 1.00 1.00 N ATOM 0 H GLN A 79 -8.468 -9.084 -5.916 1.00 1.00 H new ATOM 0 HA GLN A 79 -7.550 -6.780 -7.527 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -8.916 -7.739 -9.380 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -7.408 -8.557 -9.019 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -9.013 -10.236 -9.535 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -8.709 -10.333 -7.812 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -10.477 -10.474 -6.498 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -12.112 -9.994 -6.961 1.00 1.00 H new ATOM 1266 N GLU A 80 -10.314 -7.294 -5.975 1.00 1.00 N ATOM 1267 CA GLU A 80 -11.591 -6.766 -5.521 1.00 1.00 C ATOM 1268 C GLU A 80 -11.392 -5.377 -4.903 1.00 1.00 C ATOM 1269 O GLU A 80 -11.805 -4.357 -5.458 1.00 1.00 O ATOM 1270 CB GLU A 80 -12.277 -7.788 -4.580 1.00 1.00 C ATOM 1271 CG GLU A 80 -11.451 -8.446 -3.444 1.00 1.00 C ATOM 1272 CD GLU A 80 -10.678 -9.713 -3.839 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -9.720 -9.638 -4.646 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -10.946 -10.795 -3.277 1.00 1.00 O ATOM 0 H GLU A 80 -10.030 -8.121 -5.450 1.00 1.00 H new ATOM 0 HA GLU A 80 -12.271 -6.626 -6.361 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -13.129 -7.288 -4.119 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -12.676 -8.590 -5.202 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -10.741 -7.712 -3.062 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -12.125 -8.693 -2.624 1.00 1.00 H new ATOM 1281 N MET A 81 -10.679 -5.330 -3.779 1.00 1.00 N ATOM 1282 CA MET A 81 -10.290 -4.114 -3.094 1.00 1.00 C ATOM 1283 C MET A 81 -9.411 -3.263 -4.003 1.00 1.00 C ATOM 1284 O MET A 81 -9.589 -2.063 -3.979 1.00 1.00 O ATOM 1285 CB MET A 81 -9.681 -4.493 -1.741 1.00 1.00 C ATOM 1286 CG MET A 81 -8.987 -3.333 -1.032 1.00 1.00 C ATOM 1287 SD MET A 81 -9.432 -3.222 0.712 1.00 1.00 S ATOM 1288 CE MET A 81 -8.575 -4.660 1.398 1.00 1.00 C ATOM 0 H MET A 81 -10.348 -6.172 -3.309 1.00 1.00 H new ATOM 0 HA MET A 81 -11.144 -3.475 -2.869 1.00 1.00 H new ATOM 0 HB2 MET A 81 -10.468 -4.883 -1.095 1.00 1.00 H new ATOM 0 HB3 MET A 81 -8.962 -5.299 -1.889 1.00 1.00 H new ATOM 0 HG2 MET A 81 -7.907 -3.451 -1.121 1.00 1.00 H new ATOM 0 HG3 MET A 81 -9.248 -2.399 -1.530 1.00 1.00 H new ATOM 0 HE1 MET A 81 -8.329 -4.473 2.443 1.00 1.00 H new ATOM 0 HE2 MET A 81 -9.220 -5.536 1.328 1.00 1.00 H new ATOM 0 HE3 MET A 81 -7.658 -4.839 0.836 1.00 1.00 H new ATOM 1298 N ALA A 82 -8.537 -3.812 -4.851 1.00 1.00 N ATOM 1299 CA ALA A 82 -7.767 -3.007 -5.798 1.00 1.00 C ATOM 1300 C ALA A 82 -8.712 -2.182 -6.686 1.00 1.00 C ATOM 1301 O ALA A 82 -8.495 -0.982 -6.861 1.00 1.00 O ATOM 1302 CB ALA A 82 -6.839 -3.890 -6.642 1.00 1.00 C ATOM 0 H ALA A 82 -8.346 -4.813 -4.900 1.00 1.00 H new ATOM 0 HA ALA A 82 -7.139 -2.317 -5.235 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -6.278 -3.267 -7.338 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -6.146 -4.419 -5.988 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -7.433 -4.613 -7.201 1.00 1.00 H new ATOM 1308 N GLY A 83 -9.777 -2.804 -7.199 1.00 1.00 N ATOM 1309 CA GLY A 83 -10.802 -2.148 -7.992 1.00 1.00 C ATOM 1310 C GLY A 83 -11.517 -1.046 -7.210 1.00 1.00 C ATOM 1311 O GLY A 83 -11.617 0.081 -7.707 1.00 1.00 O ATOM 0 H GLY A 83 -9.948 -3.801 -7.067 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -10.349 -1.721 -8.887 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -11.531 -2.887 -8.325 1.00 1.00 H new ATOM 1315 N GLN A 84 -12.025 -1.361 -6.014 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.717 -0.402 -5.145 1.00 1.00 C ATOM 1317 C GLN A 84 -11.809 0.745 -4.698 1.00 1.00 C ATOM 1318 O GLN A 84 -12.219 1.899 -4.729 1.00 1.00 O ATOM 1319 CB GLN A 84 -13.320 -1.126 -3.929 1.00 1.00 C ATOM 1320 CG GLN A 84 -14.662 -1.805 -4.248 1.00 1.00 C ATOM 1321 CD GLN A 84 -15.843 -0.823 -4.240 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -15.687 0.396 -4.225 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -17.066 -1.323 -4.220 1.00 1.00 N ATOM 0 H GLN A 84 -11.967 -2.299 -5.617 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.521 0.045 -5.731 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -12.614 -1.876 -3.571 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.463 -0.410 -3.119 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -14.599 -2.282 -5.226 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -14.847 -2.594 -3.519 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -17.204 -2.334 -4.232 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -17.872 -0.698 -4.192 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.569 0.453 -4.324 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.542 1.385 -3.876 1.00 1.00 C ATOM 1334 C LEU A 85 -9.262 2.414 -4.968 1.00 1.00 C ATOM 1335 O LEU A 85 -9.259 3.627 -4.728 1.00 1.00 O ATOM 1336 CB LEU A 85 -8.288 0.547 -3.556 1.00 1.00 C ATOM 1337 CG LEU A 85 -7.104 1.307 -2.964 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.440 1.701 -1.540 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.884 0.396 -2.854 1.00 1.00 C ATOM 0 H LEU A 85 -10.231 -0.509 -4.326 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.859 1.937 -2.991 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.572 -0.242 -2.860 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.958 0.059 -4.473 1.00 1.00 H new ATOM 0 HG LEU A 85 -6.900 2.165 -3.605 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.601 2.245 -1.106 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.325 2.337 -1.538 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.635 0.805 -0.951 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -5.050 0.955 -2.430 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -6.119 -0.451 -2.209 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.611 0.032 -3.845 1.00 1.00 H new ATOM 1351 N GLN A 86 -9.053 1.909 -6.185 1.00 1.00 N ATOM 1352 CA GLN A 86 -8.855 2.702 -7.382 1.00 1.00 C ATOM 1353 C GLN A 86 -10.088 3.572 -7.639 1.00 1.00 C ATOM 1354 O GLN A 86 -9.921 4.763 -7.903 1.00 1.00 O ATOM 1355 CB GLN A 86 -8.517 1.743 -8.535 1.00 1.00 C ATOM 1356 CG GLN A 86 -8.060 2.418 -9.837 1.00 1.00 C ATOM 1357 CD GLN A 86 -6.902 1.630 -10.455 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -7.106 0.639 -11.149 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -5.670 2.029 -10.174 1.00 1.00 N ATOM 0 H GLN A 86 -9.017 0.905 -6.362 1.00 1.00 H new ATOM 0 HA GLN A 86 -8.022 3.397 -7.276 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -7.732 1.063 -8.202 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -9.396 1.135 -8.749 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -8.891 2.471 -10.540 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -7.747 3.442 -9.635 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -5.521 2.856 -9.595 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -4.871 1.510 -10.537 1.00 1.00 H new ATOM 1368 N ALA A 87 -11.300 3.011 -7.535 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.560 3.719 -7.752 1.00 1.00 C ATOM 1370 C ALA A 87 -12.789 4.820 -6.715 1.00 1.00 C ATOM 1371 O ALA A 87 -13.242 5.907 -7.061 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.734 2.735 -7.703 1.00 1.00 C ATOM 0 H ALA A 87 -11.430 2.029 -7.292 1.00 1.00 H new ATOM 0 HA ALA A 87 -12.499 4.185 -8.735 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -14.667 3.274 -7.866 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -13.610 1.981 -8.480 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -13.761 2.249 -6.728 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.511 4.553 -5.441 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.685 5.511 -4.363 1.00 1.00 C ATOM 1380 C ALA A 88 -11.722 6.682 -4.562 1.00 1.00 C ATOM 1381 O ALA A 88 -12.120 7.839 -4.425 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.462 4.812 -3.022 1.00 1.00 C ATOM 0 H ALA A 88 -12.153 3.650 -5.129 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.700 5.909 -4.369 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.592 5.529 -2.212 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -13.183 4.002 -2.909 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.451 4.405 -2.987 1.00 1.00 H new ATOM 1388 N THR A 89 -10.476 6.402 -4.945 1.00 1.00 N ATOM 1389 CA THR A 89 -9.487 7.446 -5.201 1.00 1.00 C ATOM 1390 C THR A 89 -9.694 8.135 -6.567 1.00 1.00 C ATOM 1391 O THR A 89 -9.024 9.128 -6.871 1.00 1.00 O ATOM 1392 CB THR A 89 -8.071 6.862 -5.043 1.00 1.00 C ATOM 1393 OG1 THR A 89 -7.998 6.062 -3.875 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.038 7.994 -4.921 1.00 1.00 C ATOM 0 H THR A 89 -10.127 5.454 -5.085 1.00 1.00 H new ATOM 0 HA THR A 89 -9.619 8.236 -4.461 1.00 1.00 H new ATOM 0 HB THR A 89 -7.855 6.256 -5.923 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.408 5.189 -4.050 1.00 1.00 H new ATOM 0 HG21 THR A 89 -6.041 7.567 -4.810 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.069 8.613 -5.817 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.270 8.606 -4.049 1.00 1.00 H new ATOM 1402 N HIS A 90 -10.599 7.632 -7.413 1.00 1.00 N ATOM 1403 CA HIS A 90 -10.975 8.222 -8.683 1.00 1.00 C ATOM 1404 C HIS A 90 -11.993 9.332 -8.400 1.00 1.00 C ATOM 1405 O HIS A 90 -13.200 9.144 -8.554 1.00 1.00 O ATOM 1406 CB HIS A 90 -11.476 7.113 -9.625 1.00 1.00 C ATOM 1407 CG HIS A 90 -11.746 7.536 -11.040 1.00 1.00 C ATOM 1408 ND1 HIS A 90 -10.994 7.205 -12.147 1.00 1.00 N ATOM 1409 CD2 HIS A 90 -12.870 8.183 -11.471 1.00 1.00 C ATOM 1410 CE1 HIS A 90 -11.660 7.638 -13.227 1.00 1.00 C ATOM 1411 NE2 HIS A 90 -12.811 8.239 -12.865 1.00 1.00 N ATOM 0 H HIS A 90 -11.104 6.768 -7.215 1.00 1.00 H new ATOM 0 HA HIS A 90 -10.134 8.686 -9.199 1.00 1.00 H new ATOM 0 HB2 HIS A 90 -10.737 6.312 -9.639 1.00 1.00 H new ATOM 0 HB3 HIS A 90 -12.392 6.694 -9.209 1.00 1.00 H new ATOM 0 HD2 HIS A 90 -13.659 8.578 -10.848 1.00 1.00 H new ATOM 0 HE1 HIS A 90 -11.321 7.521 -14.246 1.00 1.00 H new ATOM 0 HE2 HIS A 90 -13.504 8.654 -13.488 1.00 1.00 H new ATOM 1419 N GLN A 91 -11.506 10.462 -7.883 1.00 1.00 N ATOM 1420 CA GLN A 91 -12.311 11.652 -7.655 1.00 1.00 C ATOM 1421 C GLN A 91 -12.559 12.279 -9.019 1.00 1.00 C ATOM 1422 O GLN A 91 -11.567 12.556 -9.731 1.00 1.00 O ATOM 1423 CB GLN A 91 -11.613 12.598 -6.659 1.00 1.00 C ATOM 1424 CG GLN A 91 -12.505 13.791 -6.266 1.00 1.00 C ATOM 1425 CD GLN A 91 -12.003 14.539 -5.025 1.00 1.00 C ATOM 1426 OE1 GLN A 91 -10.829 14.505 -4.661 1.00 1.00 O ATOM 1427 NE2 GLN A 91 -12.886 15.176 -4.279 1.00 1.00 N ATOM 1428 OXT GLN A 91 -13.746 12.434 -9.370 1.00 1.00 O ATOM 0 H GLN A 91 -10.530 10.572 -7.610 1.00 1.00 H new ATOM 0 HA GLN A 91 -13.269 11.416 -7.193 1.00 1.00 H new ATOM 0 HB2 GLN A 91 -11.339 12.041 -5.763 1.00 1.00 H new ATOM 0 HB3 GLN A 91 -10.688 12.968 -7.100 1.00 1.00 H new ATOM 0 HG2 GLN A 91 -12.560 14.486 -7.104 1.00 1.00 H new ATOM 0 HG3 GLN A 91 -13.518 13.433 -6.081 1.00 1.00 H new ATOM 0 HE21 GLN A 91 -13.864 15.214 -4.566 1.00 1.00 H new ATOM 0 HE22 GLN A 91 -12.590 15.631 -3.415 1.00 1.00 H new TER 1437 GLN A 91