USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 553 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 Single : A 2 SER OG : rot 180:sc= 0.0117 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot -12:sc= 0.704 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.0454 X(o=-0.045,f=-0.25) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -60:sc= 0.996 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 72:sc= 0.942 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 -5.468 -14.742 22.732 1.00 0.00 N ATOM 19 CA SER A 2 -6.163 -16.003 22.536 1.00 0.00 C ATOM 20 C SER A 2 -5.958 -16.495 21.101 1.00 0.00 C ATOM 21 O SER A 2 -5.067 -16.020 20.399 1.00 0.00 O ATOM 22 CB SER A 2 -7.655 -15.862 22.841 1.00 0.00 C ATOM 23 OG SER A 2 -8.390 -15.399 21.711 1.00 0.00 O ATOM 0 HA SER A 2 -5.746 -16.735 23.228 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.052 -16.825 23.162 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.791 -15.169 23.671 1.00 0.00 H new ATOM 0 HG SER A 2 -9.338 -15.324 21.946 1.00 0.00 H new ATOM 29 N LEU A 3 -6.799 -17.441 20.709 1.00 0.00 N ATOM 30 CA LEU A 3 -6.722 -18.002 19.371 1.00 0.00 C ATOM 31 C LEU A 3 -7.614 -17.191 18.429 1.00 0.00 C ATOM 32 O LEU A 3 -7.195 -16.825 17.332 1.00 0.00 O ATOM 33 CB LEU A 3 -7.053 -19.496 19.396 1.00 0.00 C ATOM 34 CG LEU A 3 -5.941 -20.437 18.930 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.909 -21.710 19.778 1.00 0.00 C ATOM 36 CD2 LEU A 3 -6.074 -20.746 17.437 1.00 0.00 C ATOM 0 H LEU A 3 -7.537 -17.833 21.294 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.704 -17.930 18.987 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.330 -19.769 20.414 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.930 -19.664 18.771 1.00 0.00 H new ATOM 0 HG LEU A 3 -4.985 -19.932 19.071 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.109 -22.362 19.426 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.731 -21.448 20.821 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.864 -22.228 19.692 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -5.271 -21.417 17.131 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.036 -21.222 17.248 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -6.009 -19.819 16.867 1.00 0.00 H new ATOM 48 N GLY A 4 -8.828 -16.932 18.893 1.00 0.00 N ATOM 49 CA GLY A 4 -9.783 -16.171 18.106 1.00 0.00 C ATOM 50 C GLY A 4 -9.232 -14.785 17.766 1.00 0.00 C ATOM 51 O GLY A 4 -9.235 -14.379 16.605 1.00 0.00 O ATOM 0 H GLY A 4 -9.172 -17.236 19.804 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.014 -16.710 17.187 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.717 -16.069 18.659 1.00 0.00 H new ATOM 55 N VAL A 5 -8.771 -14.096 18.800 1.00 0.00 N ATOM 56 CA VAL A 5 -8.218 -12.764 18.625 1.00 0.00 C ATOM 57 C VAL A 5 -7.149 -12.800 17.531 1.00 0.00 C ATOM 58 O VAL A 5 -7.007 -11.847 16.766 1.00 0.00 O ATOM 59 CB VAL A 5 -7.689 -12.238 19.961 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.332 -12.859 20.296 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.606 -10.710 19.954 1.00 0.00 C ATOM 0 H VAL A 5 -8.769 -14.436 19.762 1.00 0.00 H new ATOM 0 HA VAL A 5 -8.992 -12.068 18.300 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.393 -12.532 20.739 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.979 -12.468 21.250 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.434 -13.942 20.363 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.615 -12.610 19.514 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.227 -10.362 20.915 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.934 -10.386 19.160 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -8.598 -10.293 19.782 1.00 0.00 H new ATOM 71 N LEU A 6 -6.426 -13.909 17.491 1.00 0.00 N ATOM 72 CA LEU A 6 -5.374 -14.081 16.503 1.00 0.00 C ATOM 73 C LEU A 6 -5.977 -13.981 15.101 1.00 0.00 C ATOM 74 O LEU A 6 -5.500 -13.209 14.270 1.00 0.00 O ATOM 75 CB LEU A 6 -4.612 -15.384 16.754 1.00 0.00 C ATOM 76 CG LEU A 6 -3.222 -15.480 16.123 1.00 0.00 C ATOM 77 CD1 LEU A 6 -2.748 -16.933 16.059 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.196 -14.807 14.749 1.00 0.00 C ATOM 0 H LEU A 6 -6.548 -14.698 18.127 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.635 -13.285 16.590 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.511 -15.521 17.831 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.216 -16.212 16.383 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.520 -14.941 16.759 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.757 -16.973 15.606 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.703 -17.346 17.067 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.445 -17.517 15.458 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.196 -14.889 14.322 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.913 -15.297 14.090 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.460 -13.755 14.854 1.00 0.00 H new ATOM 90 N ALA A 7 -7.016 -14.773 14.880 1.00 0.00 N ATOM 91 CA ALA A 7 -7.689 -14.783 13.592 1.00 0.00 C ATOM 92 C ALA A 7 -8.054 -13.350 13.201 1.00 0.00 C ATOM 93 O ALA A 7 -8.080 -13.012 12.018 1.00 0.00 O ATOM 94 CB ALA A 7 -8.912 -15.699 13.662 1.00 0.00 C ATOM 0 H ALA A 7 -7.408 -15.412 15.571 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.031 -15.178 12.818 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.417 -15.706 12.696 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.595 -16.711 13.913 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.597 -15.333 14.427 1.00 0.00 H new ATOM 100 N ALA A 8 -8.328 -12.545 14.217 1.00 0.00 N ATOM 101 CA ALA A 8 -8.691 -11.156 13.995 1.00 0.00 C ATOM 102 C ALA A 8 -7.462 -10.383 13.514 1.00 0.00 C ATOM 103 O ALA A 8 -7.585 -9.427 12.749 1.00 0.00 O ATOM 104 CB ALA A 8 -9.283 -10.571 15.279 1.00 0.00 C ATOM 0 H ALA A 8 -8.306 -12.829 15.197 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.453 -11.078 13.220 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.555 -9.529 15.112 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.171 -11.137 15.561 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.545 -10.630 16.079 1.00 0.00 H new ATOM 110 N ALA A 9 -6.304 -10.825 13.981 1.00 0.00 N ATOM 111 CA ALA A 9 -5.053 -10.186 13.609 1.00 0.00 C ATOM 112 C ALA A 9 -4.724 -10.529 12.154 1.00 0.00 C ATOM 113 O ALA A 9 -4.104 -9.733 11.450 1.00 0.00 O ATOM 114 CB ALA A 9 -3.949 -10.623 14.574 1.00 0.00 C ATOM 0 H ALA A 9 -6.205 -11.619 14.614 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.139 -9.102 13.682 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.011 -10.144 14.295 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.217 -10.332 15.590 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.831 -11.706 14.526 1.00 0.00 H new ATOM 120 N ILE A 10 -5.155 -11.714 11.747 1.00 0.00 N ATOM 121 CA ILE A 10 -4.914 -12.171 10.389 1.00 0.00 C ATOM 122 C ILE A 10 -5.909 -11.495 9.443 1.00 0.00 C ATOM 123 O ILE A 10 -5.518 -10.951 8.411 1.00 0.00 O ATOM 124 CB ILE A 10 -4.946 -13.699 10.324 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.536 -14.283 10.431 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.672 -14.180 9.066 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.491 -15.428 11.444 1.00 0.00 C ATOM 0 H ILE A 10 -5.669 -12.371 12.334 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.915 -11.882 10.062 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.511 -14.065 11.181 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.213 -14.644 9.454 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.837 -13.502 10.729 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.680 -15.270 9.045 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.697 -13.809 9.073 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.157 -13.804 8.182 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.477 -15.825 11.500 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.791 -15.058 12.425 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.173 -16.218 11.130 1.00 0.00 H new ATOM 139 N ALA A 11 -7.175 -11.550 9.830 1.00 0.00 N ATOM 140 CA ALA A 11 -8.228 -10.949 9.029 1.00 0.00 C ATOM 141 C ALA A 11 -7.965 -9.448 8.891 1.00 0.00 C ATOM 142 O ALA A 11 -8.447 -8.814 7.954 1.00 0.00 O ATOM 143 CB ALA A 11 -9.587 -11.247 9.667 1.00 0.00 C ATOM 0 H ALA A 11 -7.495 -12.001 10.687 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.238 -11.375 8.026 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.377 -10.796 9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.738 -12.325 9.715 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.615 -10.832 10.674 1.00 0.00 H new ATOM 149 N VAL A 12 -7.202 -8.924 9.839 1.00 0.00 N ATOM 150 CA VAL A 12 -6.869 -7.510 9.835 1.00 0.00 C ATOM 151 C VAL A 12 -5.779 -7.250 8.793 1.00 0.00 C ATOM 152 O VAL A 12 -5.879 -6.310 8.005 1.00 0.00 O ATOM 153 CB VAL A 12 -6.470 -7.062 11.242 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.214 -6.189 11.205 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.624 -6.332 11.933 1.00 0.00 C ATOM 0 H VAL A 12 -6.805 -9.454 10.615 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.737 -6.914 9.553 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.241 -7.954 11.824 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.953 -5.884 12.218 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.390 -6.756 10.772 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.404 -5.304 10.598 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.314 -6.024 12.932 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.898 -5.452 11.351 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.483 -6.999 12.009 1.00 0.00 H new ATOM 165 N GLY A 13 -4.761 -8.098 8.824 1.00 0.00 N ATOM 166 CA GLY A 13 -3.653 -7.972 7.892 1.00 0.00 C ATOM 167 C GLY A 13 -4.120 -8.193 6.452 1.00 0.00 C ATOM 168 O GLY A 13 -3.563 -7.615 5.520 1.00 0.00 O ATOM 0 H GLY A 13 -4.680 -8.875 9.480 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.206 -6.982 7.985 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.878 -8.697 8.142 1.00 0.00 H new ATOM 172 N LEU A 14 -5.138 -9.030 6.315 1.00 0.00 N ATOM 173 CA LEU A 14 -5.686 -9.334 5.004 1.00 0.00 C ATOM 174 C LEU A 14 -6.456 -8.119 4.484 1.00 0.00 C ATOM 175 O LEU A 14 -6.293 -7.724 3.330 1.00 0.00 O ATOM 176 CB LEU A 14 -6.521 -10.615 5.057 1.00 0.00 C ATOM 177 CG LEU A 14 -5.762 -11.921 4.813 1.00 0.00 C ATOM 178 CD1 LEU A 14 -5.403 -12.079 3.334 1.00 0.00 C ATOM 179 CD2 LEU A 14 -4.529 -12.015 5.715 1.00 0.00 C ATOM 0 H LEU A 14 -5.598 -9.507 7.090 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.885 -9.532 4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.999 -10.673 6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.317 -10.537 4.317 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.418 -12.751 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.864 -13.015 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.315 -12.089 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.774 -11.246 3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.007 -12.952 5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.861 -11.179 5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.839 -11.981 6.759 1.00 0.00 H new ATOM 191 N GLY A 15 -7.278 -7.560 5.359 1.00 0.00 N ATOM 192 CA GLY A 15 -8.074 -6.397 5.002 1.00 0.00 C ATOM 193 C GLY A 15 -7.186 -5.169 4.790 1.00 0.00 C ATOM 194 O GLY A 15 -7.435 -4.367 3.892 1.00 0.00 O ATOM 0 H GLY A 15 -7.411 -7.890 6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.638 -6.603 4.093 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.800 -6.194 5.789 1.00 0.00 H new ATOM 198 N ALA A 16 -6.169 -5.062 5.632 1.00 0.00 N ATOM 199 CA ALA A 16 -5.243 -3.945 5.548 1.00 0.00 C ATOM 200 C ALA A 16 -4.326 -4.138 4.338 1.00 0.00 C ATOM 201 O ALA A 16 -3.690 -3.190 3.880 1.00 0.00 O ATOM 202 CB ALA A 16 -4.461 -3.830 6.859 1.00 0.00 C ATOM 0 H ALA A 16 -5.966 -5.730 6.376 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.783 -3.009 5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.766 -2.992 6.796 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.155 -3.665 7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.904 -4.751 7.032 1.00 0.00 H new ATOM 208 N LEU A 17 -4.289 -5.371 3.855 1.00 0.00 N ATOM 209 CA LEU A 17 -3.461 -5.700 2.707 1.00 0.00 C ATOM 210 C LEU A 17 -4.079 -5.091 1.447 1.00 0.00 C ATOM 211 O LEU A 17 -3.440 -4.297 0.759 1.00 0.00 O ATOM 212 CB LEU A 17 -3.246 -7.212 2.617 1.00 0.00 C ATOM 213 CG LEU A 17 -2.926 -7.763 1.226 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.662 -8.624 1.255 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.123 -8.521 0.648 1.00 0.00 C ATOM 0 H LEU A 17 -4.819 -6.154 4.237 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.467 -5.266 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.432 -7.484 3.290 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.144 -7.709 2.985 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.727 -6.921 0.563 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.457 -9.003 0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.819 -8.022 1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.808 -9.461 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.869 -8.902 -0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.377 -9.354 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.976 -7.848 0.569 1.00 0.00 H new ATOM 227 N GLY A 18 -5.316 -5.487 1.182 1.00 0.00 N ATOM 228 CA GLY A 18 -6.028 -4.990 0.017 1.00 0.00 C ATOM 229 C GLY A 18 -6.497 -3.550 0.234 1.00 0.00 C ATOM 230 O GLY A 18 -6.686 -2.803 -0.725 1.00 0.00 O ATOM 0 H GLY A 18 -5.843 -6.146 1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.379 -5.037 -0.858 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.887 -5.629 -0.189 1.00 0.00 H new ATOM 234 N ALA A 19 -6.673 -3.203 1.501 1.00 0.00 N ATOM 235 CA ALA A 19 -7.117 -1.866 1.856 1.00 0.00 C ATOM 236 C ALA A 19 -5.946 -0.891 1.718 1.00 0.00 C ATOM 237 O ALA A 19 -6.098 0.190 1.151 1.00 0.00 O ATOM 238 CB ALA A 19 -7.700 -1.881 3.271 1.00 0.00 C ATOM 0 H ALA A 19 -6.516 -3.825 2.294 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.905 -1.531 1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.033 -0.878 3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.547 -2.567 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.936 -2.209 3.976 1.00 0.00 H new ATOM 244 N GLY A 20 -4.805 -1.308 2.246 1.00 0.00 N ATOM 245 CA GLY A 20 -3.609 -0.484 2.189 1.00 0.00 C ATOM 246 C GLY A 20 -3.280 -0.095 0.746 1.00 0.00 C ATOM 247 O GLY A 20 -3.035 1.074 0.456 1.00 0.00 O ATOM 0 H GLY A 20 -4.683 -2.205 2.715 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.754 0.415 2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.769 -1.025 2.624 1.00 0.00 H new ATOM 251 N ILE A 21 -3.285 -1.099 -0.119 1.00 0.00 N ATOM 252 CA ILE A 21 -2.990 -0.876 -1.524 1.00 0.00 C ATOM 253 C ILE A 21 -3.973 0.150 -2.091 1.00 0.00 C ATOM 254 O ILE A 21 -3.657 0.855 -3.048 1.00 0.00 O ATOM 255 CB ILE A 21 -2.978 -2.203 -2.286 1.00 0.00 C ATOM 256 CG1 ILE A 21 -2.192 -2.078 -3.592 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.402 -2.712 -2.521 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.685 -2.139 -3.333 1.00 0.00 C ATOM 0 H ILE A 21 -3.489 -2.068 0.126 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.990 -0.458 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.467 -2.945 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.480 -2.879 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.443 -1.138 -4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.366 -3.656 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.897 -2.864 -1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.959 -1.979 -3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.149 -2.048 -4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.396 -1.322 -2.672 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.435 -3.091 -2.864 1.00 0.00 H new ATOM 270 N GLY A 22 -5.145 0.201 -1.476 1.00 0.00 N ATOM 271 CA GLY A 22 -6.177 1.130 -1.907 1.00 0.00 C ATOM 272 C GLY A 22 -5.829 2.563 -1.501 1.00 0.00 C ATOM 273 O GLY A 22 -6.067 3.502 -2.259 1.00 0.00 O ATOM 0 H GLY A 22 -5.404 -0.386 -0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.294 1.073 -2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.133 0.846 -1.468 1.00 0.00 H new ATOM 277 N ASN A 23 -5.272 2.687 -0.305 1.00 0.00 N ATOM 278 CA ASN A 23 -4.889 3.990 0.211 1.00 0.00 C ATOM 279 C ASN A 23 -3.793 4.583 -0.677 1.00 0.00 C ATOM 280 O ASN A 23 -3.797 5.781 -0.956 1.00 0.00 O ATOM 281 CB ASN A 23 -4.337 3.878 1.633 1.00 0.00 C ATOM 282 CG ASN A 23 -5.279 4.541 2.641 1.00 0.00 C ATOM 283 OD1 ASN A 23 -6.042 3.892 3.336 1.00 0.00 O ATOM 284 ND2 ASN A 23 -5.182 5.867 2.680 1.00 0.00 N ATOM 0 H ASN A 23 -5.077 1.906 0.322 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.775 4.625 0.217 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.201 2.828 1.893 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.355 4.348 1.684 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.768 6.403 3.320 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.521 6.348 2.070 1.00 0.00 H new ATOM 291 N GLY A 24 -2.882 3.718 -1.095 1.00 0.00 N ATOM 292 CA GLY A 24 -1.782 4.142 -1.945 1.00 0.00 C ATOM 293 C GLY A 24 -2.264 4.405 -3.374 1.00 0.00 C ATOM 294 O GLY A 24 -1.667 5.202 -4.096 1.00 0.00 O ATOM 0 H GLY A 24 -2.882 2.725 -0.861 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.330 5.046 -1.537 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.008 3.375 -1.954 1.00 0.00 H new ATOM 298 N LEU A 25 -3.338 3.720 -3.738 1.00 0.00 N ATOM 299 CA LEU A 25 -3.906 3.870 -5.067 1.00 0.00 C ATOM 300 C LEU A 25 -4.497 5.273 -5.209 1.00 0.00 C ATOM 301 O LEU A 25 -4.411 5.883 -6.273 1.00 0.00 O ATOM 302 CB LEU A 25 -4.908 2.749 -5.351 1.00 0.00 C ATOM 303 CG LEU A 25 -4.309 1.406 -5.776 1.00 0.00 C ATOM 304 CD1 LEU A 25 -5.257 0.253 -5.441 1.00 0.00 C ATOM 305 CD2 LEU A 25 -3.926 1.421 -7.257 1.00 0.00 C ATOM 0 H LEU A 25 -3.830 3.060 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.130 3.772 -5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.508 2.589 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.587 3.086 -6.134 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.393 1.245 -5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.808 -0.690 -5.753 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.437 0.231 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.202 0.395 -5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.503 0.455 -7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.813 1.615 -7.860 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.189 2.204 -7.434 1.00 0.00 H new ATOM 317 N ILE A 26 -5.086 5.746 -4.119 1.00 0.00 N ATOM 318 CA ILE A 26 -5.691 7.067 -4.109 1.00 0.00 C ATOM 319 C ILE A 26 -4.590 8.128 -4.109 1.00 0.00 C ATOM 320 O ILE A 26 -4.746 9.190 -4.709 1.00 0.00 O ATOM 321 CB ILE A 26 -6.672 7.197 -2.942 1.00 0.00 C ATOM 322 CG1 ILE A 26 -7.765 6.130 -3.022 1.00 0.00 C ATOM 323 CG2 ILE A 26 -7.254 8.610 -2.870 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.719 6.409 -4.185 1.00 0.00 C ATOM 0 H ILE A 26 -5.157 5.238 -3.237 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.282 7.223 -5.011 1.00 0.00 H new ATOM 0 HB ILE A 26 -6.124 7.027 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.310 5.147 -3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.324 6.106 -2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.948 8.675 -2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.447 9.329 -2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.782 8.834 -3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.486 5.636 -4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.190 7.382 -4.044 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.161 6.408 -5.121 1.00 0.00 H new ATOM 336 N VAL A 27 -3.500 7.804 -3.428 1.00 0.00 N ATOM 337 CA VAL A 27 -2.373 8.717 -3.341 1.00 0.00 C ATOM 338 C VAL A 27 -1.696 8.815 -4.710 1.00 0.00 C ATOM 339 O VAL A 27 -1.327 9.904 -5.147 1.00 0.00 O ATOM 340 CB VAL A 27 -1.419 8.266 -2.233 1.00 0.00 C ATOM 341 CG1 VAL A 27 -0.377 9.346 -1.934 1.00 0.00 C ATOM 342 CG2 VAL A 27 -2.189 7.882 -0.969 1.00 0.00 C ATOM 0 H VAL A 27 -3.374 6.922 -2.932 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.711 9.718 -3.073 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.891 7.380 -2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.289 9.000 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.204 9.550 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.880 10.258 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.487 7.565 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.756 8.742 -0.613 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.874 7.064 -1.194 1.00 0.00 H new ATOM 352 N SER A 28 -1.553 7.663 -5.348 1.00 0.00 N ATOM 353 CA SER A 28 -0.927 7.606 -6.658 1.00 0.00 C ATOM 354 C SER A 28 -1.823 8.283 -7.697 1.00 0.00 C ATOM 355 O SER A 28 -1.334 8.818 -8.690 1.00 0.00 O ATOM 356 CB SER A 28 -0.638 6.160 -7.068 1.00 0.00 C ATOM 357 OG SER A 28 -1.831 5.390 -7.185 1.00 0.00 O ATOM 0 H SER A 28 -1.860 6.762 -4.982 1.00 0.00 H new ATOM 0 HA SER A 28 0.023 8.138 -6.606 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.107 6.152 -8.020 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.020 5.699 -6.332 1.00 0.00 H new ATOM 0 HG SER A 28 -2.582 5.889 -6.801 1.00 0.00 H new ATOM 363 N ARG A 29 -3.121 8.237 -7.431 1.00 0.00 N ATOM 364 CA ARG A 29 -4.090 8.839 -8.330 1.00 0.00 C ATOM 365 C ARG A 29 -4.085 10.361 -8.174 1.00 0.00 C ATOM 366 O ARG A 29 -4.322 11.089 -9.138 1.00 0.00 O ATOM 367 CB ARG A 29 -5.499 8.310 -8.056 1.00 0.00 C ATOM 368 CG ARG A 29 -6.284 8.138 -9.358 1.00 0.00 C ATOM 369 CD ARG A 29 -6.657 9.496 -9.956 1.00 0.00 C ATOM 370 NE ARG A 29 -8.002 9.426 -10.571 1.00 0.00 N ATOM 371 CZ ARG A 29 -8.556 10.418 -11.280 1.00 0.00 C ATOM 372 NH1 ARG A 29 -7.885 11.563 -11.470 1.00 0.00 N ATOM 373 NH2 ARG A 29 -9.782 10.266 -11.801 1.00 0.00 N ATOM 0 H ARG A 29 -3.523 7.792 -6.606 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.806 8.574 -9.348 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.437 7.354 -7.536 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.028 8.998 -7.397 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.688 7.572 -10.074 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.188 7.559 -9.168 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.642 10.261 -9.180 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.920 9.788 -10.705 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.540 8.569 -10.447 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.952 11.679 -11.074 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.307 12.318 -12.010 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.293 9.395 -11.657 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.204 11.022 -12.341 1.00 0.00 H new ATOM 387 N THR A 30 -3.812 10.798 -6.954 1.00 0.00 N ATOM 388 CA THR A 30 -3.772 12.220 -6.659 1.00 0.00 C ATOM 389 C THR A 30 -2.433 12.818 -7.094 1.00 0.00 C ATOM 390 O THR A 30 -2.382 13.943 -7.588 1.00 0.00 O ATOM 391 CB THR A 30 -4.064 12.402 -5.168 1.00 0.00 C ATOM 392 OG1 THR A 30 -4.780 13.632 -5.102 1.00 0.00 O ATOM 393 CG2 THR A 30 -2.797 12.665 -4.351 1.00 0.00 C ATOM 0 H THR A 30 -3.616 10.192 -6.157 1.00 0.00 H new ATOM 0 HA THR A 30 -4.532 12.762 -7.222 1.00 0.00 H new ATOM 0 HB THR A 30 -4.565 11.513 -4.785 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.011 13.826 -4.170 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.060 12.787 -3.300 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.113 11.823 -4.459 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.314 13.573 -4.711 1.00 0.00 H new ATOM 401 N ILE A 31 -1.380 12.038 -6.893 1.00 0.00 N ATOM 402 CA ILE A 31 -0.044 12.477 -7.259 1.00 0.00 C ATOM 403 C ILE A 31 0.082 12.499 -8.783 1.00 0.00 C ATOM 404 O ILE A 31 0.693 13.406 -9.346 1.00 0.00 O ATOM 405 CB ILE A 31 1.011 11.611 -6.567 1.00 0.00 C ATOM 406 CG1 ILE A 31 2.327 12.376 -6.405 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.206 10.287 -7.308 1.00 0.00 C ATOM 408 CD1 ILE A 31 2.437 12.986 -5.006 1.00 0.00 C ATOM 0 H ILE A 31 -1.425 11.106 -6.482 1.00 0.00 H new ATOM 0 HA ILE A 31 0.132 13.495 -6.910 1.00 0.00 H new ATOM 0 HB ILE A 31 0.652 11.370 -5.566 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.167 11.703 -6.580 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.389 13.164 -7.155 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.961 9.691 -6.795 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.264 9.739 -7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.533 10.486 -8.329 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.381 13.524 -4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.609 13.676 -4.844 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.400 12.193 -4.259 1.00 0.00 H new ATOM 420 N GLU A 32 -0.506 11.490 -9.409 1.00 0.00 N ATOM 421 CA GLU A 32 -0.468 11.382 -10.857 1.00 0.00 C ATOM 422 C GLU A 32 -1.323 12.479 -11.494 1.00 0.00 C ATOM 423 O GLU A 32 -1.022 12.947 -12.591 1.00 0.00 O ATOM 424 CB GLU A 32 -0.924 9.996 -11.316 1.00 0.00 C ATOM 425 CG GLU A 32 -2.450 9.890 -11.307 1.00 0.00 C ATOM 426 CD GLU A 32 -2.910 8.546 -11.876 1.00 0.00 C ATOM 427 OE1 GLU A 32 -2.157 7.994 -12.707 1.00 0.00 O ATOM 428 OE2 GLU A 32 -4.004 8.101 -11.466 1.00 0.00 O ATOM 0 H GLU A 32 -1.012 10.739 -8.939 1.00 0.00 H new ATOM 0 HA GLU A 32 0.563 11.516 -11.184 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.548 9.800 -12.320 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.499 9.234 -10.662 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.820 10.003 -10.288 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.878 10.703 -11.894 1.00 0.00 H new ATOM 435 N GLY A 33 -2.371 12.859 -10.778 1.00 0.00 N ATOM 436 CA GLY A 33 -3.271 13.893 -11.259 1.00 0.00 C ATOM 437 C GLY A 33 -2.545 15.232 -11.396 1.00 0.00 C ATOM 438 O GLY A 33 -2.702 15.928 -12.399 1.00 0.00 O ATOM 0 H GLY A 33 -2.617 12.469 -9.868 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.685 13.600 -12.224 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.110 13.999 -10.571 1.00 0.00 H new ATOM 442 N ILE A 34 -1.765 15.554 -10.375 1.00 0.00 N ATOM 443 CA ILE A 34 -1.014 16.797 -10.368 1.00 0.00 C ATOM 444 C ILE A 34 0.149 16.691 -11.357 1.00 0.00 C ATOM 445 O ILE A 34 0.547 17.685 -11.962 1.00 0.00 O ATOM 446 CB ILE A 34 -0.580 17.154 -8.945 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.738 16.465 -8.585 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.687 16.837 -7.938 1.00 0.00 C ATOM 449 CD1 ILE A 34 1.922 17.416 -8.766 1.00 0.00 C ATOM 0 H ILE A 34 -1.637 14.974 -9.546 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.643 17.623 -10.701 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.404 18.229 -8.901 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.701 16.118 -7.552 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.875 15.584 -9.213 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.352 17.100 -6.935 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.579 17.412 -8.185 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.919 15.773 -7.975 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.846 16.901 -8.503 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.971 17.742 -9.805 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.794 18.284 -8.119 1.00 0.00 H new ATOM 461 N ALA A 35 0.660 15.476 -11.491 1.00 0.00 N ATOM 462 CA ALA A 35 1.769 15.227 -12.397 1.00 0.00 C ATOM 463 C ALA A 35 1.315 15.484 -13.835 1.00 0.00 C ATOM 464 O ALA A 35 2.142 15.647 -14.731 1.00 0.00 O ATOM 465 CB ALA A 35 2.283 13.800 -12.194 1.00 0.00 C ATOM 0 H ALA A 35 0.327 14.654 -10.988 1.00 0.00 H new ATOM 0 HA ALA A 35 2.596 15.905 -12.187 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.115 13.613 -12.873 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.620 13.678 -11.165 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.480 13.092 -12.399 1.00 0.00 H new ATOM 471 N ARG A 36 0.003 15.513 -14.011 1.00 0.00 N ATOM 472 CA ARG A 36 -0.571 15.748 -15.325 1.00 0.00 C ATOM 473 C ARG A 36 -0.047 17.063 -15.906 1.00 0.00 C ATOM 474 O ARG A 36 0.523 17.081 -16.995 1.00 0.00 O ATOM 475 CB ARG A 36 -2.099 15.800 -15.258 1.00 0.00 C ATOM 476 CG ARG A 36 -2.680 14.424 -14.927 1.00 0.00 C ATOM 477 CD ARG A 36 -4.102 14.284 -15.476 1.00 0.00 C ATOM 478 NE ARG A 36 -4.067 13.660 -16.817 1.00 0.00 N ATOM 479 CZ ARG A 36 -3.860 12.354 -17.033 1.00 0.00 C ATOM 480 NH1 ARG A 36 -3.668 11.526 -15.998 1.00 0.00 N ATOM 481 NH2 ARG A 36 -3.845 11.876 -18.285 1.00 0.00 N ATOM 0 H ARG A 36 -0.680 15.378 -13.265 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.275 14.919 -15.969 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.409 16.521 -14.502 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.497 16.147 -16.212 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.045 13.646 -15.350 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.687 14.278 -13.847 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.704 13.678 -14.799 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.577 15.264 -15.534 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.209 14.262 -17.628 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.679 11.890 -15.045 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.510 10.532 -16.163 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.991 12.506 -19.073 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.687 10.882 -18.449 1.00 0.00 H new ATOM 495 N GLN A 37 -0.260 18.132 -15.152 1.00 0.00 N ATOM 496 CA GLN A 37 0.183 19.448 -15.578 1.00 0.00 C ATOM 497 C GLN A 37 1.600 19.372 -16.150 1.00 0.00 C ATOM 498 O GLN A 37 2.307 18.387 -15.938 1.00 0.00 O ATOM 499 CB GLN A 37 0.110 20.451 -14.425 1.00 0.00 C ATOM 500 CG GLN A 37 -1.252 21.147 -14.389 1.00 0.00 C ATOM 501 CD GLN A 37 -1.091 22.668 -14.395 1.00 0.00 C ATOM 502 OE1 GLN A 37 -0.230 23.230 -13.738 1.00 0.00 O ATOM 503 NE2 GLN A 37 -1.965 23.302 -15.171 1.00 0.00 N ATOM 0 H GLN A 37 -0.734 18.113 -14.249 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.486 19.798 -16.364 1.00 0.00 H new ATOM 0 HB2 GLN A 37 0.285 19.937 -13.480 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.900 21.194 -14.535 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.845 20.837 -15.249 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.798 20.839 -13.497 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.661 22.771 -15.695 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.940 24.319 -15.242 1.00 0.00 H new ATOM 512 N PRO A 38 1.984 20.452 -16.882 1.00 0.00 N ATOM 513 CA PRO A 38 3.304 20.516 -17.486 1.00 0.00 C ATOM 514 C PRO A 38 4.375 20.807 -16.433 1.00 0.00 C ATOM 515 O PRO A 38 5.436 20.185 -16.433 1.00 0.00 O ATOM 516 CB PRO A 38 3.200 21.603 -18.544 1.00 0.00 C ATOM 517 CG PRO A 38 1.973 22.422 -18.180 1.00 0.00 C ATOM 518 CD PRO A 38 1.174 21.635 -17.154 1.00 0.00 C ATOM 0 HA PRO A 38 3.608 19.570 -17.934 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.095 22.225 -18.555 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.100 21.171 -19.540 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.267 23.390 -17.774 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.369 22.618 -19.066 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.009 22.219 -16.248 1.00 0.00 H new ATOM 0 HD3 PRO A 38 0.192 21.362 -17.541 1.00 0.00 H new ATOM 526 N GLU A 39 4.059 21.753 -15.560 1.00 0.00 N ATOM 527 CA GLU A 39 4.981 22.134 -14.504 1.00 0.00 C ATOM 528 C GLU A 39 5.242 20.948 -13.573 1.00 0.00 C ATOM 529 O GLU A 39 6.158 20.987 -12.754 1.00 0.00 O ATOM 530 CB GLU A 39 4.452 23.338 -13.722 1.00 0.00 C ATOM 531 CG GLU A 39 5.282 23.580 -12.459 1.00 0.00 C ATOM 532 CD GLU A 39 4.906 24.910 -11.803 1.00 0.00 C ATOM 533 OE1 GLU A 39 4.773 25.898 -12.558 1.00 0.00 O ATOM 534 OE2 GLU A 39 4.761 24.909 -10.562 1.00 0.00 O ATOM 0 H GLU A 39 3.178 22.266 -15.563 1.00 0.00 H new ATOM 0 HA GLU A 39 5.926 22.426 -14.962 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.477 24.226 -14.354 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.410 23.170 -13.450 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.123 22.765 -11.753 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.342 23.582 -12.711 1.00 0.00 H new ATOM 541 N LEU A 40 4.419 19.921 -13.730 1.00 0.00 N ATOM 542 CA LEU A 40 4.548 18.726 -12.914 1.00 0.00 C ATOM 543 C LEU A 40 4.996 17.558 -13.796 1.00 0.00 C ATOM 544 O LEU A 40 4.636 16.410 -13.541 1.00 0.00 O ATOM 545 CB LEU A 40 3.251 18.457 -12.148 1.00 0.00 C ATOM 546 CG LEU A 40 2.714 19.619 -11.310 1.00 0.00 C ATOM 547 CD1 LEU A 40 3.769 20.115 -10.320 1.00 0.00 C ATOM 548 CD2 LEU A 40 2.193 20.745 -12.205 1.00 0.00 C ATOM 0 H LEU A 40 3.660 19.892 -14.411 1.00 0.00 H new ATOM 0 HA LEU A 40 5.316 18.865 -12.153 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.483 18.166 -12.865 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.412 17.604 -11.489 1.00 0.00 H new ATOM 0 HG LEU A 40 1.869 19.256 -10.724 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.361 20.941 -9.737 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.050 19.302 -9.650 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.649 20.456 -10.866 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.817 21.559 -11.585 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.003 21.113 -12.835 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.387 20.366 -12.834 1.00 0.00 H new ATOM 560 N ARG A 41 5.775 17.892 -14.814 1.00 0.00 N ATOM 561 CA ARG A 41 6.275 16.885 -15.734 1.00 0.00 C ATOM 562 C ARG A 41 7.162 15.882 -14.993 1.00 0.00 C ATOM 563 O ARG A 41 7.076 14.678 -15.230 1.00 0.00 O ATOM 564 CB ARG A 41 7.079 17.526 -16.868 1.00 0.00 C ATOM 565 CG ARG A 41 7.132 16.607 -18.090 1.00 0.00 C ATOM 566 CD ARG A 41 8.366 15.704 -18.044 1.00 0.00 C ATOM 567 NE ARG A 41 9.327 16.107 -19.095 1.00 0.00 N ATOM 568 CZ ARG A 41 10.295 15.313 -19.572 1.00 0.00 C ATOM 569 NH1 ARG A 41 10.438 14.069 -19.095 1.00 0.00 N ATOM 570 NH2 ARG A 41 11.121 15.762 -20.527 1.00 0.00 N ATOM 0 H ARG A 41 6.072 18.845 -15.022 1.00 0.00 H new ATOM 0 HA ARG A 41 5.415 16.369 -16.160 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.628 18.479 -17.145 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.091 17.740 -16.525 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.231 15.995 -18.129 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.150 17.207 -19.000 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.838 15.769 -17.064 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.072 14.664 -18.188 1.00 0.00 H new ATOM 0 HE ARG A 41 9.247 17.048 -19.480 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.810 13.726 -18.368 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.175 13.465 -19.459 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.013 16.709 -20.891 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.858 15.157 -20.890 1.00 0.00 H new ATOM 584 N PRO A 42 8.016 16.430 -14.088 1.00 0.00 N ATOM 585 CA PRO A 42 8.918 15.597 -13.310 1.00 0.00 C ATOM 586 C PRO A 42 8.164 14.857 -12.203 1.00 0.00 C ATOM 587 O PRO A 42 8.643 13.848 -11.688 1.00 0.00 O ATOM 588 CB PRO A 42 9.972 16.552 -12.775 1.00 0.00 C ATOM 589 CG PRO A 42 9.368 17.943 -12.882 1.00 0.00 C ATOM 590 CD PRO A 42 8.145 17.851 -13.781 1.00 0.00 C ATOM 0 HA PRO A 42 9.379 14.808 -13.904 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.225 16.315 -11.742 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.893 16.481 -13.353 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.090 18.316 -11.896 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.094 18.644 -13.295 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.255 18.230 -13.279 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.275 18.442 -14.688 1.00 0.00 H new ATOM 598 N VAL A 43 6.996 15.387 -11.871 1.00 0.00 N ATOM 599 CA VAL A 43 6.171 14.790 -10.835 1.00 0.00 C ATOM 600 C VAL A 43 5.734 13.392 -11.279 1.00 0.00 C ATOM 601 O VAL A 43 5.501 12.517 -10.447 1.00 0.00 O ATOM 602 CB VAL A 43 4.992 15.709 -10.509 1.00 0.00 C ATOM 603 CG1 VAL A 43 3.973 14.999 -9.615 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.474 17.011 -9.866 1.00 0.00 C ATOM 0 H VAL A 43 6.601 16.223 -12.301 1.00 0.00 H new ATOM 0 HA VAL A 43 6.741 14.675 -9.913 1.00 0.00 H new ATOM 0 HB VAL A 43 4.495 15.962 -11.446 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.146 15.675 -9.399 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.595 14.114 -10.126 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.452 14.702 -8.682 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.617 17.646 -9.644 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.007 16.785 -8.942 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.142 17.530 -10.553 1.00 0.00 H new ATOM 614 N LEU A 44 5.636 13.226 -12.590 1.00 0.00 N ATOM 615 CA LEU A 44 5.232 11.950 -13.155 1.00 0.00 C ATOM 616 C LEU A 44 6.136 10.845 -12.605 1.00 0.00 C ATOM 617 O LEU A 44 5.657 9.774 -12.234 1.00 0.00 O ATOM 618 CB LEU A 44 5.209 12.024 -14.683 1.00 0.00 C ATOM 619 CG LEU A 44 3.900 11.606 -15.355 1.00 0.00 C ATOM 620 CD1 LEU A 44 3.540 12.561 -16.495 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.965 10.151 -15.825 1.00 0.00 C ATOM 0 H LEU A 44 5.830 13.954 -13.277 1.00 0.00 H new ATOM 0 HA LEU A 44 4.213 11.706 -12.856 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.436 13.048 -14.981 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.010 11.394 -15.070 1.00 0.00 H new ATOM 0 HG LEU A 44 3.101 11.670 -14.616 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.605 12.241 -16.956 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.424 13.571 -16.101 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.334 12.552 -17.241 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.022 9.879 -16.299 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.778 10.036 -16.542 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.142 9.500 -14.969 1.00 0.00 H new ATOM 633 N GLN A 45 7.426 11.142 -12.571 1.00 0.00 N ATOM 634 CA GLN A 45 8.402 10.187 -12.074 1.00 0.00 C ATOM 635 C GLN A 45 8.133 9.873 -10.600 1.00 0.00 C ATOM 636 O GLN A 45 8.320 8.740 -10.159 1.00 0.00 O ATOM 637 CB GLN A 45 9.827 10.704 -12.273 1.00 0.00 C ATOM 638 CG GLN A 45 10.856 9.659 -11.838 1.00 0.00 C ATOM 639 CD GLN A 45 12.086 9.688 -12.747 1.00 0.00 C ATOM 640 OE1 GLN A 45 13.039 10.416 -12.522 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.012 8.859 -13.784 1.00 0.00 N ATOM 0 H GLN A 45 7.819 12.031 -12.880 1.00 0.00 H new ATOM 0 HA GLN A 45 8.303 9.265 -12.647 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.982 10.958 -13.322 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.969 11.620 -11.699 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.157 9.847 -10.807 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.405 8.667 -11.863 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.185 8.277 -13.913 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.783 8.805 -14.450 1.00 0.00 H new ATOM 650 N THR A 46 7.698 10.896 -9.880 1.00 0.00 N ATOM 651 CA THR A 46 7.402 10.744 -8.466 1.00 0.00 C ATOM 652 C THR A 46 6.195 9.825 -8.270 1.00 0.00 C ATOM 653 O THR A 46 6.118 9.097 -7.281 1.00 0.00 O ATOM 654 CB THR A 46 7.206 12.140 -7.870 1.00 0.00 C ATOM 655 OG1 THR A 46 8.125 12.185 -6.782 1.00 0.00 O ATOM 656 CG2 THR A 46 5.836 12.307 -7.210 1.00 0.00 C ATOM 0 H THR A 46 7.543 11.834 -10.250 1.00 0.00 H new ATOM 0 HA THR A 46 8.226 10.263 -7.939 1.00 0.00 H new ATOM 0 HB THR A 46 7.325 12.889 -8.653 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.066 13.057 -6.340 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.748 13.315 -6.803 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.053 12.145 -7.951 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.729 11.580 -6.405 1.00 0.00 H new ATOM 664 N THR A 47 5.282 9.887 -9.228 1.00 0.00 N ATOM 665 CA THR A 47 4.082 9.070 -9.173 1.00 0.00 C ATOM 666 C THR A 47 4.403 7.625 -9.562 1.00 0.00 C ATOM 667 O THR A 47 3.765 6.692 -9.077 1.00 0.00 O ATOM 668 CB THR A 47 3.026 9.720 -10.069 1.00 0.00 C ATOM 669 OG1 THR A 47 3.435 9.380 -11.391 1.00 0.00 O ATOM 670 CG2 THR A 47 3.093 11.248 -10.039 1.00 0.00 C ATOM 0 H THR A 47 5.349 10.491 -10.047 1.00 0.00 H new ATOM 0 HA THR A 47 3.683 9.020 -8.160 1.00 0.00 H new ATOM 0 HB THR A 47 2.034 9.394 -9.756 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.330 9.742 -11.560 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.323 11.659 -10.692 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.931 11.599 -9.020 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.074 11.576 -10.384 1.00 0.00 H new ATOM 678 N MET A 48 5.391 7.486 -10.434 1.00 0.00 N ATOM 679 CA MET A 48 5.804 6.171 -10.893 1.00 0.00 C ATOM 680 C MET A 48 6.448 5.371 -9.759 1.00 0.00 C ATOM 681 O MET A 48 6.182 4.180 -9.606 1.00 0.00 O ATOM 682 CB MET A 48 6.803 6.322 -12.042 1.00 0.00 C ATOM 683 CG MET A 48 6.079 6.492 -13.379 1.00 0.00 C ATOM 684 SD MET A 48 6.902 5.539 -14.645 1.00 0.00 S ATOM 685 CE MET A 48 7.709 6.852 -15.545 1.00 0.00 C ATOM 0 H MET A 48 5.917 8.262 -10.835 1.00 0.00 H new ATOM 0 HA MET A 48 4.920 5.633 -11.236 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.445 7.184 -11.860 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.450 5.446 -12.084 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.043 6.168 -13.284 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.059 7.545 -13.660 1.00 0.00 H new ATOM 0 HE1 MET A 48 8.273 6.430 -16.377 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.960 7.544 -15.929 1.00 0.00 H new ATOM 0 HE3 MET A 48 8.388 7.385 -14.880 1.00 0.00 H new ATOM 695 N PHE A 49 7.282 6.059 -8.992 1.00 0.00 N ATOM 696 CA PHE A 49 7.966 5.427 -7.877 1.00 0.00 C ATOM 697 C PHE A 49 6.997 5.149 -6.726 1.00 0.00 C ATOM 698 O PHE A 49 7.152 4.167 -6.002 1.00 0.00 O ATOM 699 CB PHE A 49 9.040 6.406 -7.398 1.00 0.00 C ATOM 700 CG PHE A 49 10.456 5.827 -7.402 1.00 0.00 C ATOM 701 CD1 PHE A 49 10.759 4.768 -6.604 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.411 6.371 -8.202 1.00 0.00 C ATOM 703 CE1 PHE A 49 12.074 4.230 -6.608 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.726 5.834 -8.205 1.00 0.00 C ATOM 705 CZ PHE A 49 13.029 4.775 -7.408 1.00 0.00 C ATOM 0 H PHE A 49 7.499 7.047 -9.121 1.00 0.00 H new ATOM 0 HA PHE A 49 8.394 4.476 -8.194 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.019 7.292 -8.033 1.00 0.00 H new ATOM 0 HB3 PHE A 49 8.795 6.732 -6.387 1.00 0.00 H new ATOM 0 HD1 PHE A 49 10.001 4.336 -5.968 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.170 7.212 -8.836 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.315 3.388 -5.976 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.485 6.267 -8.840 1.00 0.00 H new ATOM 0 HZ PHE A 49 14.029 4.366 -7.410 1.00 0.00 H new ATOM 715 N ILE A 50 6.018 6.032 -6.593 1.00 0.00 N ATOM 716 CA ILE A 50 5.023 5.894 -5.543 1.00 0.00 C ATOM 717 C ILE A 50 4.092 4.728 -5.878 1.00 0.00 C ATOM 718 O ILE A 50 3.607 4.038 -4.982 1.00 0.00 O ATOM 719 CB ILE A 50 4.293 7.220 -5.319 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.373 7.650 -3.853 1.00 0.00 C ATOM 721 CG2 ILE A 50 2.848 7.140 -5.814 1.00 0.00 C ATOM 722 CD1 ILE A 50 5.767 8.181 -3.513 1.00 0.00 C ATOM 0 H ILE A 50 5.893 6.846 -7.195 1.00 0.00 H new ATOM 0 HA ILE A 50 5.502 5.656 -4.593 1.00 0.00 H new ATOM 0 HB ILE A 50 4.794 7.989 -5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.628 8.421 -3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.135 6.804 -3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.351 8.095 -5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.841 6.913 -6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.321 6.355 -5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.797 8.480 -2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.507 7.400 -3.689 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.992 9.042 -4.142 1.00 0.00 H new ATOM 734 N GLY A 51 3.869 4.543 -7.171 1.00 0.00 N ATOM 735 CA GLY A 51 3.004 3.472 -7.636 1.00 0.00 C ATOM 736 C GLY A 51 3.573 2.104 -7.257 1.00 0.00 C ATOM 737 O GLY A 51 2.876 1.277 -6.671 1.00 0.00 O ATOM 0 H GLY A 51 4.273 5.117 -7.911 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.010 3.589 -7.204 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.890 3.535 -8.718 1.00 0.00 H new ATOM 741 N VAL A 52 4.836 1.906 -7.606 1.00 0.00 N ATOM 742 CA VAL A 52 5.507 0.652 -7.310 1.00 0.00 C ATOM 743 C VAL A 52 5.575 0.461 -5.794 1.00 0.00 C ATOM 744 O VAL A 52 5.186 -0.586 -5.279 1.00 0.00 O ATOM 745 CB VAL A 52 6.884 0.625 -7.978 1.00 0.00 C ATOM 746 CG1 VAL A 52 7.576 -0.721 -7.752 1.00 0.00 C ATOM 747 CG2 VAL A 52 6.775 0.941 -9.471 1.00 0.00 C ATOM 0 H VAL A 52 5.412 2.594 -8.091 1.00 0.00 H new ATOM 0 HA VAL A 52 4.945 -0.188 -7.719 1.00 0.00 H new ATOM 0 HB VAL A 52 7.496 1.399 -7.515 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.552 -0.714 -8.237 1.00 0.00 H new ATOM 0 HG12 VAL A 52 7.703 -0.890 -6.683 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.966 -1.519 -8.176 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.767 0.915 -9.922 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.138 0.200 -9.954 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.342 1.933 -9.602 1.00 0.00 H new ATOM 757 N ALA A 53 6.072 1.488 -5.121 1.00 0.00 N ATOM 758 CA ALA A 53 6.196 1.447 -3.674 1.00 0.00 C ATOM 759 C ALA A 53 4.845 1.071 -3.062 1.00 0.00 C ATOM 760 O ALA A 53 4.790 0.368 -2.054 1.00 0.00 O ATOM 761 CB ALA A 53 6.711 2.794 -3.166 1.00 0.00 C ATOM 0 H ALA A 53 6.394 2.355 -5.552 1.00 0.00 H new ATOM 0 HA ALA A 53 6.918 0.688 -3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.804 2.762 -2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.686 3.001 -3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.011 3.581 -3.447 1.00 0.00 H new ATOM 767 N LEU A 54 3.788 1.556 -3.697 1.00 0.00 N ATOM 768 CA LEU A 54 2.441 1.281 -3.227 1.00 0.00 C ATOM 769 C LEU A 54 2.138 -0.208 -3.404 1.00 0.00 C ATOM 770 O LEU A 54 1.409 -0.797 -2.607 1.00 0.00 O ATOM 771 CB LEU A 54 1.433 2.200 -3.920 1.00 0.00 C ATOM 772 CG LEU A 54 0.128 1.543 -4.374 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.778 1.238 -3.180 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.580 2.399 -5.427 1.00 0.00 C ATOM 0 H LEU A 54 3.837 2.138 -4.533 1.00 0.00 H new ATOM 0 HA LEU A 54 2.357 1.500 -2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.188 3.016 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.915 2.644 -4.791 1.00 0.00 H new ATOM 0 HG LEU A 54 0.372 0.590 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.698 0.772 -3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.265 0.560 -2.498 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.017 2.165 -2.659 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.505 1.909 -5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.810 3.378 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.070 2.521 -6.294 1.00 0.00 H new ATOM 786 N VAL A 55 2.714 -0.776 -4.454 1.00 0.00 N ATOM 787 CA VAL A 55 2.516 -2.185 -4.746 1.00 0.00 C ATOM 788 C VAL A 55 3.261 -3.027 -3.708 1.00 0.00 C ATOM 789 O VAL A 55 2.883 -4.166 -3.440 1.00 0.00 O ATOM 790 CB VAL A 55 2.946 -2.488 -6.182 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.322 -3.962 -6.343 1.00 0.00 C ATOM 792 CG2 VAL A 55 1.855 -2.089 -7.178 1.00 0.00 C ATOM 0 H VAL A 55 3.318 -0.285 -5.113 1.00 0.00 H new ATOM 0 HA VAL A 55 1.459 -2.444 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 55 3.832 -1.891 -6.398 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.624 -4.150 -7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.148 -4.202 -5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.463 -4.586 -6.097 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.187 -2.315 -8.191 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.944 -2.646 -6.962 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.656 -1.021 -7.091 1.00 0.00 H new ATOM 802 N GLU A 56 4.307 -2.433 -3.153 1.00 0.00 N ATOM 803 CA GLU A 56 5.109 -3.114 -2.150 1.00 0.00 C ATOM 804 C GLU A 56 4.364 -3.158 -0.815 1.00 0.00 C ATOM 805 O GLU A 56 4.868 -3.710 0.163 1.00 0.00 O ATOM 806 CB GLU A 56 6.476 -2.443 -1.994 1.00 0.00 C ATOM 807 CG GLU A 56 7.476 -2.992 -3.013 1.00 0.00 C ATOM 808 CD GLU A 56 8.843 -2.324 -2.854 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.642 -2.850 -2.049 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.059 -1.302 -3.541 1.00 0.00 O ATOM 0 H GLU A 56 4.618 -1.488 -3.378 1.00 0.00 H new ATOM 0 HA GLU A 56 5.279 -4.138 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.373 -1.366 -2.124 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.853 -2.608 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.577 -4.070 -2.885 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.101 -2.825 -4.023 1.00 0.00 H new ATOM 817 N ALA A 57 3.176 -2.571 -0.816 1.00 0.00 N ATOM 818 CA ALA A 57 2.357 -2.537 0.383 1.00 0.00 C ATOM 819 C ALA A 57 1.473 -3.785 0.427 1.00 0.00 C ATOM 820 O ALA A 57 0.984 -4.167 1.489 1.00 0.00 O ATOM 821 CB ALA A 57 1.540 -1.244 0.407 1.00 0.00 C ATOM 0 H ALA A 57 2.761 -2.115 -1.629 1.00 0.00 H new ATOM 0 HA ALA A 57 2.983 -2.544 1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.925 -1.219 1.307 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.214 -0.388 0.404 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.897 -1.203 -0.473 1.00 0.00 H new ATOM 827 N LEU A 58 1.295 -4.387 -0.740 1.00 0.00 N ATOM 828 CA LEU A 58 0.478 -5.584 -0.848 1.00 0.00 C ATOM 829 C LEU A 58 1.188 -6.745 -0.149 1.00 0.00 C ATOM 830 O LEU A 58 0.598 -7.421 0.693 1.00 0.00 O ATOM 831 CB LEU A 58 0.133 -5.866 -2.312 1.00 0.00 C ATOM 832 CG LEU A 58 -1.294 -6.348 -2.583 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.313 -5.256 -2.256 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.437 -6.854 -4.020 1.00 0.00 C ATOM 0 H LEU A 58 1.703 -4.068 -1.619 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.476 -5.442 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.303 -4.956 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.827 -6.616 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.502 -7.190 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.319 -5.625 -2.458 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.230 -4.984 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.118 -4.379 -2.873 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.460 -7.191 -4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.202 -6.048 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.750 -7.685 -4.183 1.00 0.00 H new ATOM 846 N PRO A 59 2.477 -6.946 -0.532 1.00 0.00 N ATOM 847 CA PRO A 59 3.273 -8.013 0.049 1.00 0.00 C ATOM 848 C PRO A 59 3.715 -7.657 1.470 1.00 0.00 C ATOM 849 O PRO A 59 3.824 -8.531 2.328 1.00 0.00 O ATOM 850 CB PRO A 59 4.440 -8.199 -0.907 1.00 0.00 C ATOM 851 CG PRO A 59 4.507 -6.926 -1.735 1.00 0.00 C ATOM 852 CD PRO A 59 3.208 -6.165 -1.525 1.00 0.00 C ATOM 0 HA PRO A 59 2.714 -8.942 0.159 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.370 -8.360 -0.362 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.289 -9.071 -1.543 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.359 -6.318 -1.432 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.644 -7.163 -2.790 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.396 -5.151 -1.171 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.645 -6.079 -2.454 1.00 0.00 H new ATOM 860 N ILE A 60 3.957 -6.370 1.675 1.00 0.00 N ATOM 861 CA ILE A 60 4.384 -5.887 2.977 1.00 0.00 C ATOM 862 C ILE A 60 3.309 -6.214 4.015 1.00 0.00 C ATOM 863 O ILE A 60 3.584 -6.883 5.010 1.00 0.00 O ATOM 864 CB ILE A 60 4.740 -4.401 2.906 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.167 -4.202 2.390 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.519 -3.719 4.258 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.418 -2.738 2.023 1.00 0.00 C ATOM 0 H ILE A 60 3.865 -5.647 0.961 1.00 0.00 H new ATOM 0 HA ILE A 60 5.296 -6.394 3.292 1.00 0.00 H new ATOM 0 HB ILE A 60 4.070 -3.924 2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.880 -4.517 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.333 -4.833 1.517 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.780 -2.663 4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.472 -3.814 4.547 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.148 -4.193 5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.439 -2.624 1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.719 -2.433 1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.275 -2.112 2.904 1.00 0.00 H new ATOM 879 N ILE A 61 2.106 -5.726 3.748 1.00 0.00 N ATOM 880 CA ILE A 61 0.988 -5.957 4.647 1.00 0.00 C ATOM 881 C ILE A 61 0.740 -7.462 4.768 1.00 0.00 C ATOM 882 O ILE A 61 0.489 -7.968 5.860 1.00 0.00 O ATOM 883 CB ILE A 61 -0.239 -5.165 4.191 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.094 -3.680 4.033 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.419 -5.390 5.138 1.00 0.00 C ATOM 886 CD1 ILE A 61 -0.818 -3.021 2.997 1.00 0.00 C ATOM 0 H ILE A 61 1.881 -5.172 2.922 1.00 0.00 H new ATOM 0 HA ILE A 61 1.220 -5.591 5.647 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.538 -5.534 3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.015 -3.175 4.993 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.135 -3.567 3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.278 -4.816 4.791 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.674 -6.450 5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.147 -5.065 6.142 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.560 -1.966 2.904 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.688 -3.513 2.033 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.856 -3.114 3.315 1.00 0.00 H new ATOM 898 N GLY A 62 0.818 -8.135 3.629 1.00 0.00 N ATOM 899 CA GLY A 62 0.604 -9.572 3.593 1.00 0.00 C ATOM 900 C GLY A 62 1.571 -10.294 4.534 1.00 0.00 C ATOM 901 O GLY A 62 1.217 -11.306 5.136 1.00 0.00 O ATOM 0 H GLY A 62 1.026 -7.712 2.725 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.423 -9.798 3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.740 -9.938 2.575 1.00 0.00 H new ATOM 905 N VAL A 63 2.772 -9.744 4.632 1.00 0.00 N ATOM 906 CA VAL A 63 3.792 -10.323 5.490 1.00 0.00 C ATOM 907 C VAL A 63 3.374 -10.161 6.953 1.00 0.00 C ATOM 908 O VAL A 63 3.607 -11.050 7.770 1.00 0.00 O ATOM 909 CB VAL A 63 5.152 -9.693 5.184 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.159 -9.993 6.296 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.680 -10.160 3.826 1.00 0.00 C ATOM 0 H VAL A 63 3.062 -8.904 4.132 1.00 0.00 H new ATOM 0 HA VAL A 63 3.892 -11.391 5.297 1.00 0.00 H new ATOM 0 HB VAL A 63 5.017 -8.612 5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.117 -9.533 6.053 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.791 -9.588 7.239 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.287 -11.071 6.390 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.648 -9.697 3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.791 -11.244 3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.978 -9.872 3.044 1.00 0.00 H new ATOM 921 N VAL A 64 2.765 -9.020 7.238 1.00 0.00 N ATOM 922 CA VAL A 64 2.312 -8.730 8.588 1.00 0.00 C ATOM 923 C VAL A 64 1.267 -9.767 9.005 1.00 0.00 C ATOM 924 O VAL A 64 1.401 -10.403 10.049 1.00 0.00 O ATOM 925 CB VAL A 64 1.793 -7.293 8.669 1.00 0.00 C ATOM 926 CG1 VAL A 64 0.776 -7.141 9.802 1.00 0.00 C ATOM 927 CG2 VAL A 64 2.947 -6.302 8.832 1.00 0.00 C ATOM 0 H VAL A 64 2.574 -8.285 6.557 1.00 0.00 H new ATOM 0 HA VAL A 64 3.141 -8.802 9.292 1.00 0.00 H new ATOM 0 HB VAL A 64 1.286 -7.066 7.731 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.423 -6.110 9.838 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.068 -7.808 9.625 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.248 -7.396 10.751 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.551 -5.288 8.887 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.494 -6.528 9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.619 -6.383 7.978 1.00 0.00 H new ATOM 937 N PHE A 65 0.251 -9.906 8.166 1.00 0.00 N ATOM 938 CA PHE A 65 -0.816 -10.855 8.435 1.00 0.00 C ATOM 939 C PHE A 65 -0.250 -12.237 8.767 1.00 0.00 C ATOM 940 O PHE A 65 -0.741 -12.913 9.669 1.00 0.00 O ATOM 941 CB PHE A 65 -1.657 -10.954 7.160 1.00 0.00 C ATOM 942 CG PHE A 65 -1.869 -12.386 6.664 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.550 -13.278 7.432 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.376 -12.767 5.455 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.746 -14.607 6.972 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.572 -14.096 4.995 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.253 -14.988 5.763 1.00 0.00 C ATOM 0 H PHE A 65 0.144 -9.378 7.300 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.407 -10.520 9.288 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.629 -10.496 7.342 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.174 -10.375 6.373 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.942 -12.976 8.392 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.835 -12.059 4.845 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.287 -15.315 7.582 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.180 -14.398 4.035 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.402 -15.999 5.413 1.00 0.00 H new ATOM 957 N SER A 66 0.775 -12.617 8.018 1.00 0.00 N ATOM 958 CA SER A 66 1.414 -13.906 8.222 1.00 0.00 C ATOM 959 C SER A 66 2.120 -13.932 9.579 1.00 0.00 C ATOM 960 O SER A 66 1.942 -14.867 10.358 1.00 0.00 O ATOM 961 CB SER A 66 2.408 -14.212 7.100 1.00 0.00 C ATOM 962 OG SER A 66 1.852 -13.966 5.812 1.00 0.00 O ATOM 0 H SER A 66 1.179 -12.055 7.269 1.00 0.00 H new ATOM 0 HA SER A 66 0.643 -14.676 8.207 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.302 -13.602 7.231 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.720 -15.254 7.167 1.00 0.00 H new ATOM 0 HG SER A 66 1.767 -13.000 5.671 1.00 0.00 H new ATOM 968 N PHE A 67 2.907 -12.894 9.821 1.00 0.00 N ATOM 969 CA PHE A 67 3.640 -12.785 11.070 1.00 0.00 C ATOM 970 C PHE A 67 2.705 -12.946 12.271 1.00 0.00 C ATOM 971 O PHE A 67 3.084 -13.533 13.283 1.00 0.00 O ATOM 972 CB PHE A 67 4.260 -11.387 11.105 1.00 0.00 C ATOM 973 CG PHE A 67 5.774 -11.372 10.883 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.282 -11.614 9.645 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.611 -11.116 11.924 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.687 -11.600 9.439 1.00 0.00 C ATOM 977 CE2 PHE A 67 8.016 -11.102 11.718 1.00 0.00 C ATOM 978 CZ PHE A 67 8.524 -11.344 10.480 1.00 0.00 C ATOM 0 H PHE A 67 3.053 -12.120 9.172 1.00 0.00 H new ATOM 0 HA PHE A 67 4.397 -13.567 11.126 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.785 -10.771 10.342 1.00 0.00 H new ATOM 0 HB3 PHE A 67 4.040 -10.927 12.068 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.617 -11.817 8.819 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.207 -10.923 12.907 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.091 -11.793 8.456 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.681 -10.899 12.544 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.593 -11.333 10.323 1.00 0.00 H new ATOM 988 N ILE A 68 1.502 -12.414 12.118 1.00 0.00 N ATOM 989 CA ILE A 68 0.510 -12.491 13.177 1.00 0.00 C ATOM 990 C ILE A 68 0.222 -13.960 13.495 1.00 0.00 C ATOM 991 O ILE A 68 0.296 -14.375 14.650 1.00 0.00 O ATOM 992 CB ILE A 68 -0.737 -11.687 12.803 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.664 -10.267 13.368 1.00 0.00 C ATOM 994 CG2 ILE A 68 -2.010 -12.414 13.241 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.731 -9.671 13.174 1.00 0.00 C ATOM 0 H ILE A 68 1.191 -11.928 11.277 1.00 0.00 H new ATOM 0 HA ILE A 68 0.892 -12.036 14.091 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.774 -11.600 11.717 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.404 -9.637 12.875 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.913 -10.281 14.429 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.881 -11.821 12.963 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.061 -13.386 12.750 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.996 -12.554 14.322 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.756 -8.661 13.584 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.466 -10.290 13.689 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.967 -9.636 12.110 1.00 0.00 H new ATOM 1007 N TYR A 69 -0.100 -14.706 12.449 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.399 -16.120 12.602 1.00 0.00 C ATOM 1009 C TYR A 69 0.661 -16.815 13.458 1.00 0.00 C ATOM 1010 O TYR A 69 0.330 -17.533 14.400 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.367 -16.713 11.191 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.167 -18.008 11.043 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -1.021 -19.020 11.970 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -2.036 -18.165 9.982 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -1.774 -20.239 11.830 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -2.790 -19.384 9.842 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.621 -20.361 10.773 1.00 0.00 C ATOM 1018 OH TYR A 69 -3.333 -21.512 10.640 1.00 0.00 O ATOM 0 H TYR A 69 -0.160 -14.358 11.492 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.363 -16.257 13.092 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.756 -15.975 10.489 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.669 -16.904 10.911 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.342 -18.897 12.801 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.151 -17.373 9.256 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.669 -21.039 12.548 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.474 -19.519 9.017 1.00 0.00 H new ATOM 0 HH TYR A 69 -3.897 -21.457 9.840 1.00 0.00 H new ATOM 1028 N LEU A 70 1.914 -16.577 13.101 1.00 0.00 N ATOM 1029 CA LEU A 70 3.025 -17.171 13.825 1.00 0.00 C ATOM 1030 C LEU A 70 2.913 -16.810 15.307 1.00 0.00 C ATOM 1031 O LEU A 70 3.504 -17.473 16.158 1.00 0.00 O ATOM 1032 CB LEU A 70 4.357 -16.763 13.192 1.00 0.00 C ATOM 1033 CG LEU A 70 4.821 -17.608 12.004 1.00 0.00 C ATOM 1034 CD1 LEU A 70 4.832 -19.096 12.360 1.00 0.00 C ATOM 1035 CD2 LEU A 70 3.974 -17.322 10.763 1.00 0.00 C ATOM 0 H LEU A 70 2.185 -15.980 12.319 1.00 0.00 H new ATOM 0 HA LEU A 70 2.986 -18.258 13.757 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.279 -15.726 12.866 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.128 -16.799 13.961 1.00 0.00 H new ATOM 0 HG LEU A 70 5.847 -17.327 11.765 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.166 -19.674 11.498 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.511 -19.265 13.195 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.827 -19.410 12.641 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.325 -17.936 9.933 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.931 -17.558 10.972 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.062 -16.269 10.497 1.00 0.00 H new ATOM 1047 N GLY A 71 2.150 -15.759 15.572 1.00 0.00 N ATOM 1048 CA GLY A 71 1.953 -15.302 16.937 1.00 0.00 C ATOM 1049 C GLY A 71 2.691 -13.985 17.186 1.00 0.00 C ATOM 1050 O GLY A 71 2.912 -13.600 18.333 1.00 0.00 O ATOM 0 H GLY A 71 1.661 -15.211 14.864 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.888 -15.169 17.130 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.310 -16.061 17.633 1.00 0.00 H new ATOM 1054 N ARG A 72 3.053 -13.330 16.092 1.00 0.00 N ATOM 1055 CA ARG A 72 3.761 -12.065 16.178 1.00 0.00 C ATOM 1056 C ARG A 72 2.985 -10.971 15.442 1.00 0.00 C ATOM 1057 O ARG A 72 2.888 -9.843 15.923 1.00 0.00 O ATOM 1058 CB ARG A 72 5.164 -12.177 15.577 1.00 0.00 C ATOM 1059 CG ARG A 72 6.223 -11.668 16.557 1.00 0.00 C ATOM 1060 CD ARG A 72 7.026 -12.829 17.148 1.00 0.00 C ATOM 1061 NE ARG A 72 8.430 -12.415 17.365 1.00 0.00 N ATOM 1062 CZ ARG A 72 9.457 -13.268 17.476 1.00 0.00 C ATOM 1063 NH1 ARG A 72 9.242 -14.588 17.391 1.00 0.00 N ATOM 1064 NH2 ARG A 72 10.698 -12.802 17.672 1.00 0.00 N ATOM 0 H ARG A 72 2.869 -13.652 15.142 1.00 0.00 H new ATOM 0 HA ARG A 72 3.849 -11.806 17.233 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.371 -13.216 15.319 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.214 -11.603 14.652 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.895 -10.979 16.046 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.742 -11.108 17.359 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.582 -13.146 18.092 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.991 -13.686 16.475 1.00 0.00 H new ATOM 0 HE ARG A 72 8.628 -11.417 17.434 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.297 -14.942 17.242 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.023 -15.238 17.475 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.861 -11.797 17.737 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.479 -13.452 17.756 1.00 0.00 H new