USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 616 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 1 MET CE :methyl -108:sc= -0.0102 (180deg=-1.01) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0398 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 9:sc= 0.0189 USER MOD Single : A 9 LYS NZ :NH3+ 163:sc=-0.00169 (180deg=-0.455) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0093 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 78:sc= 0.666 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.0536 X(o=-0.054,f=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0.00381 USER MOD Single : A 48 ASN : amide:sc= -1.8! C(o=-1.8!,f=-6.7!) USER MOD Single : A 49 ASN : amide:sc= -0.0822 K(o=-0.082,f=-2.9!) USER MOD Single : A 51 SER OG : rot 180:sc= -0.552 USER MOD Single : A 56 THR OG1 : rot -98:sc= 0.324 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 167:sc=-0.00311 (180deg=-0.289) USER MOD Single : A 61 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.24) USER MOD Single : A 64 SER OG : rot 71:sc= 0.243 USER MOD Single : A 68 GLN : amide:sc= -0.0143 K(o=-0.014,f=-1.9!) USER MOD Single : A 70 THR OG1 : rot 76:sc= -0.0327 USER MOD Single : A 73 SER OG : rot -34:sc= 0.213 USER MOD Single : A 80 SER OG : rot -56:sc= -0.442 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.081 4.045 -0.605 1.00 0.00 N ATOM 2 CA MET A 1 -13.299 2.779 -0.560 1.00 0.00 C ATOM 3 C MET A 1 -12.203 2.909 0.497 1.00 0.00 C ATOM 4 O MET A 1 -11.597 3.971 0.634 1.00 0.00 O ATOM 5 CB MET A 1 -12.677 2.525 -1.938 1.00 0.00 C ATOM 6 CG MET A 1 -11.866 1.228 -1.908 1.00 0.00 C ATOM 7 SD MET A 1 -11.338 0.808 -3.591 1.00 0.00 S ATOM 8 CE MET A 1 -9.973 1.991 -3.732 1.00 0.00 C ATOM 0 H1 MET A 1 -14.216 4.335 -1.595 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.008 3.896 -0.158 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.566 4.790 -0.094 1.00 0.00 H new ATOM 0 HA MET A 1 -13.948 1.942 -0.302 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.459 2.458 -2.694 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.035 3.360 -2.217 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.997 1.345 -1.261 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.467 0.420 -1.491 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.255 2.793 -4.414 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.752 2.411 -2.751 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.089 1.482 -4.116 1.00 0.00 H new ATOM 20 N ARG A 2 -11.943 1.826 1.235 1.00 0.00 N ATOM 21 CA ARG A 2 -10.901 1.836 2.273 1.00 0.00 C ATOM 22 C ARG A 2 -9.895 0.715 2.042 1.00 0.00 C ATOM 23 O ARG A 2 -10.267 -0.425 1.767 1.00 0.00 O ATOM 24 CB ARG A 2 -11.530 1.671 3.658 1.00 0.00 C ATOM 25 CG ARG A 2 -12.306 2.938 4.021 1.00 0.00 C ATOM 26 CD ARG A 2 -12.974 2.755 5.384 1.00 0.00 C ATOM 27 NE ARG A 2 -11.969 2.654 6.436 1.00 0.00 N ATOM 28 CZ ARG A 2 -12.309 2.753 7.717 1.00 0.00 C ATOM 29 NH1 ARG A 2 -12.854 1.737 8.330 1.00 0.00 N ATOM 30 NH2 ARG A 2 -12.101 3.867 8.363 1.00 0.00 N ATOM 0 H ARG A 2 -12.433 0.937 1.137 1.00 0.00 H new ATOM 0 HA ARG A 2 -10.384 2.794 2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -12.197 0.809 3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.755 1.481 4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.633 3.795 4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -13.059 3.147 3.261 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -13.637 3.596 5.586 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -13.591 1.857 5.375 1.00 0.00 H new ATOM 0 HE ARG A 2 -10.992 2.505 6.185 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -13.019 0.866 7.826 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.114 1.814 9.313 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.677 4.662 7.885 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.362 3.943 9.346 1.00 0.00 H new ATOM 44 N ILE A 3 -8.618 1.058 2.143 1.00 0.00 N ATOM 45 CA ILE A 3 -7.537 0.091 1.935 1.00 0.00 C ATOM 46 C ILE A 3 -6.695 -0.050 3.196 1.00 0.00 C ATOM 47 O ILE A 3 -6.170 0.941 3.706 1.00 0.00 O ATOM 48 CB ILE A 3 -6.632 0.594 0.811 1.00 0.00 C ATOM 49 CG1 ILE A 3 -7.438 0.733 -0.493 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.479 -0.391 0.605 1.00 0.00 C ATOM 51 CD1 ILE A 3 -6.736 1.718 -1.435 1.00 0.00 C ATOM 0 H ILE A 3 -8.300 2.001 2.368 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.976 -0.874 1.682 1.00 0.00 H new ATOM 0 HB ILE A 3 -6.231 1.570 1.083 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.536 -0.239 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.447 1.083 -0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.833 -0.033 -0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.902 -0.474 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.879 -1.369 0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.311 1.813 -2.356 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.661 2.692 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -5.737 1.350 -1.667 1.00 0.00 H new ATOM 63 N GLU A 4 -6.556 -1.280 3.692 1.00 0.00 N ATOM 64 CA GLU A 4 -5.755 -1.532 4.899 1.00 0.00 C ATOM 65 C GLU A 4 -4.644 -2.544 4.623 1.00 0.00 C ATOM 66 O GLU A 4 -4.888 -3.620 4.078 1.00 0.00 O ATOM 67 CB GLU A 4 -6.646 -2.039 6.033 1.00 0.00 C ATOM 68 CG GLU A 4 -7.698 -0.983 6.378 1.00 0.00 C ATOM 69 CD GLU A 4 -8.586 -1.488 7.509 1.00 0.00 C ATOM 70 OE1 GLU A 4 -8.622 -2.691 7.715 1.00 0.00 O ATOM 71 OE2 GLU A 4 -9.213 -0.667 8.157 1.00 0.00 O ATOM 0 H GLU A 4 -6.982 -2.113 3.284 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.296 -0.589 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.133 -2.968 5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.040 -2.263 6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.210 -0.054 6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.304 -0.760 5.500 1.00 0.00 H new ATOM 78 N VAL A 5 -3.421 -2.170 4.991 1.00 0.00 N ATOM 79 CA VAL A 5 -2.252 -3.031 4.769 1.00 0.00 C ATOM 80 C VAL A 5 -1.565 -3.384 6.087 1.00 0.00 C ATOM 81 O VAL A 5 -1.311 -2.517 6.915 1.00 0.00 O ATOM 82 CB VAL A 5 -1.261 -2.310 3.860 1.00 0.00 C ATOM 83 CG1 VAL A 5 -0.132 -3.263 3.463 1.00 0.00 C ATOM 84 CG2 VAL A 5 -1.985 -1.814 2.606 1.00 0.00 C ATOM 0 H VAL A 5 -3.209 -1.280 5.443 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.591 -3.956 4.302 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.837 -1.459 4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.572 -2.742 2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.386 -3.607 4.358 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.548 -4.120 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.277 -1.299 1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.414 -2.663 2.074 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.780 -1.126 2.893 1.00 0.00 H new ATOM 94 N THR A 6 -1.255 -4.672 6.269 1.00 0.00 N ATOM 95 CA THR A 6 -0.576 -5.140 7.484 1.00 0.00 C ATOM 96 C THR A 6 0.740 -5.801 7.120 1.00 0.00 C ATOM 97 O THR A 6 0.817 -6.605 6.193 1.00 0.00 O ATOM 98 CB THR A 6 -1.463 -6.123 8.242 1.00 0.00 C ATOM 99 OG1 THR A 6 -1.964 -7.090 7.336 1.00 0.00 O ATOM 100 CG2 THR A 6 -2.625 -5.367 8.887 1.00 0.00 C ATOM 0 H THR A 6 -1.462 -5.408 5.593 1.00 0.00 H new ATOM 0 HA THR A 6 -0.377 -4.282 8.127 1.00 0.00 H new ATOM 0 HB THR A 6 -0.883 -6.620 9.020 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.512 -6.993 6.472 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.259 -6.068 9.429 1.00 0.00 H new ATOM 0 HG22 THR A 6 -2.234 -4.622 9.580 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.211 -4.871 8.113 1.00 0.00 H new ATOM 108 N ILE A 7 1.770 -5.454 7.873 1.00 0.00 N ATOM 109 CA ILE A 7 3.109 -5.995 7.673 1.00 0.00 C ATOM 110 C ILE A 7 3.524 -6.809 8.899 1.00 0.00 C ATOM 111 O ILE A 7 3.361 -6.359 10.035 1.00 0.00 O ATOM 112 CB ILE A 7 4.062 -4.820 7.454 1.00 0.00 C ATOM 113 CG1 ILE A 7 3.874 -4.278 6.028 1.00 0.00 C ATOM 114 CG2 ILE A 7 5.522 -5.262 7.659 1.00 0.00 C ATOM 115 CD1 ILE A 7 4.574 -2.926 5.889 1.00 0.00 C ATOM 0 H ILE A 7 1.704 -4.788 8.643 1.00 0.00 H new ATOM 0 HA ILE A 7 3.135 -6.656 6.807 1.00 0.00 H new ATOM 0 HB ILE A 7 3.836 -4.038 8.179 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.281 -4.984 5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 7 2.812 -4.172 5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.185 -4.412 7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.650 -5.636 8.675 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.766 -6.052 6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 7 4.437 -2.548 4.876 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.147 -2.220 6.601 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.639 -3.045 6.091 1.00 0.00 H new ATOM 127 N ALA A 8 4.053 -8.008 8.669 1.00 0.00 N ATOM 128 CA ALA A 8 4.473 -8.867 9.771 1.00 0.00 C ATOM 129 C ALA A 8 5.628 -8.235 10.532 1.00 0.00 C ATOM 130 O ALA A 8 6.612 -7.765 9.961 1.00 0.00 O ATOM 131 CB ALA A 8 4.906 -10.226 9.222 1.00 0.00 C ATOM 0 H ALA A 8 4.200 -8.403 7.740 1.00 0.00 H new ATOM 0 HA ALA A 8 3.633 -8.995 10.454 1.00 0.00 H new ATOM 0 HB1 ALA A 8 5.220 -10.868 10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.070 -10.690 8.698 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.737 -10.091 8.530 1.00 0.00 H new ATOM 137 N LYS A 9 5.448 -8.228 11.847 1.00 0.00 N ATOM 138 CA LYS A 9 6.411 -7.654 12.770 1.00 0.00 C ATOM 139 C LYS A 9 7.771 -8.342 12.668 1.00 0.00 C ATOM 140 O LYS A 9 8.801 -7.731 12.956 1.00 0.00 O ATOM 141 CB LYS A 9 5.866 -7.704 14.205 1.00 0.00 C ATOM 142 CG LYS A 9 6.870 -7.101 15.205 1.00 0.00 C ATOM 143 CD LYS A 9 6.279 -7.174 16.615 1.00 0.00 C ATOM 144 CE LYS A 9 7.357 -6.812 17.639 1.00 0.00 C ATOM 145 NZ LYS A 9 7.924 -5.474 17.309 1.00 0.00 N ATOM 0 H LYS A 9 4.625 -8.623 12.302 1.00 0.00 H new ATOM 0 HA LYS A 9 6.563 -6.610 12.494 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.924 -7.158 14.258 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.652 -8.737 14.479 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.814 -7.645 15.164 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.087 -6.066 14.942 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.435 -6.490 16.703 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.899 -8.177 16.810 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.932 -6.802 18.643 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.146 -7.564 17.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.432 -5.099 18.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.582 -5.564 16.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.154 -4.824 17.052 1.00 0.00 H new ATOM 159 N THR A 10 7.781 -9.602 12.234 1.00 0.00 N ATOM 160 CA THR A 10 9.030 -10.338 12.075 1.00 0.00 C ATOM 161 C THR A 10 9.908 -9.639 11.043 1.00 0.00 C ATOM 162 O THR A 10 11.081 -9.977 10.884 1.00 0.00 O ATOM 163 CB THR A 10 8.736 -11.772 11.620 1.00 0.00 C ATOM 164 OG1 THR A 10 7.811 -11.747 10.541 1.00 0.00 O ATOM 165 CG2 THR A 10 8.146 -12.572 12.787 1.00 0.00 C ATOM 0 H THR A 10 6.943 -10.130 11.988 1.00 0.00 H new ATOM 0 HA THR A 10 9.552 -10.369 13.031 1.00 0.00 H new ATOM 0 HB THR A 10 9.662 -12.245 11.292 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.624 -12.664 10.249 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.938 -13.591 12.461 1.00 0.00 H new ATOM 0 HG22 THR A 10 8.859 -12.593 13.611 1.00 0.00 H new ATOM 0 HG23 THR A 10 7.221 -12.101 13.120 1.00 0.00 H new ATOM 173 N SER A 11 9.339 -8.657 10.340 1.00 0.00 N ATOM 174 CA SER A 11 10.079 -7.905 9.319 1.00 0.00 C ATOM 175 C SER A 11 10.035 -6.403 9.620 1.00 0.00 C ATOM 176 O SER A 11 9.244 -5.672 9.025 1.00 0.00 O ATOM 177 CB SER A 11 9.456 -8.157 7.946 1.00 0.00 C ATOM 178 OG SER A 11 9.579 -9.535 7.617 1.00 0.00 O ATOM 0 H SER A 11 8.369 -8.363 10.457 1.00 0.00 H new ATOM 0 HA SER A 11 11.116 -8.239 9.326 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.406 -7.866 7.952 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.952 -7.546 7.192 1.00 0.00 H new ATOM 0 HG SER A 11 9.178 -9.698 6.738 1.00 0.00 H new ATOM 184 N PRO A 12 10.862 -5.930 10.526 1.00 0.00 N ATOM 185 CA PRO A 12 10.913 -4.490 10.905 1.00 0.00 C ATOM 186 C PRO A 12 11.555 -3.588 9.846 1.00 0.00 C ATOM 187 O PRO A 12 12.608 -3.908 9.295 1.00 0.00 O ATOM 188 CB PRO A 12 11.673 -4.453 12.251 1.00 0.00 C ATOM 189 CG PRO A 12 12.009 -5.886 12.582 1.00 0.00 C ATOM 190 CD PRO A 12 11.850 -6.698 11.293 1.00 0.00 C ATOM 0 HA PRO A 12 9.905 -4.083 10.991 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.577 -3.849 12.171 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.059 -4.006 13.033 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.027 -5.964 12.963 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.347 -6.266 13.360 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.794 -6.788 10.756 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.502 -7.711 11.497 1.00 0.00 H new ATOM 198 N LEU A 13 10.915 -2.448 9.588 1.00 0.00 N ATOM 199 CA LEU A 13 11.421 -1.476 8.621 1.00 0.00 C ATOM 200 C LEU A 13 11.927 -0.244 9.383 1.00 0.00 C ATOM 201 O LEU A 13 11.393 0.081 10.445 1.00 0.00 O ATOM 202 CB LEU A 13 10.302 -1.097 7.647 1.00 0.00 C ATOM 203 CG LEU A 13 9.560 -2.371 7.199 1.00 0.00 C ATOM 204 CD1 LEU A 13 8.437 -2.019 6.212 1.00 0.00 C ATOM 205 CD2 LEU A 13 10.545 -3.337 6.523 1.00 0.00 C ATOM 0 H LEU A 13 10.041 -2.175 10.038 1.00 0.00 H new ATOM 0 HA LEU A 13 12.244 -1.900 8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.607 -0.407 8.125 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.718 -0.581 6.781 1.00 0.00 H new ATOM 0 HG LEU A 13 9.125 -2.846 8.079 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.923 -2.930 5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.727 -1.346 6.693 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.863 -1.530 5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.015 -4.236 6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.989 -2.854 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.331 -3.607 7.228 1.00 0.00 H new ATOM 217 N PRO A 14 12.954 0.429 8.912 1.00 0.00 N ATOM 218 CA PRO A 14 13.516 1.605 9.635 1.00 0.00 C ATOM 219 C PRO A 14 12.431 2.565 10.139 1.00 0.00 C ATOM 220 O PRO A 14 11.350 2.675 9.563 1.00 0.00 O ATOM 221 CB PRO A 14 14.494 2.271 8.643 1.00 0.00 C ATOM 222 CG PRO A 14 14.454 1.450 7.372 1.00 0.00 C ATOM 223 CD PRO A 14 13.687 0.150 7.668 1.00 0.00 C ATOM 0 HA PRO A 14 14.030 1.299 10.546 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.202 3.303 8.446 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.503 2.298 9.054 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.964 2.008 6.574 1.00 0.00 H new ATOM 0 HG3 PRO A 14 15.465 1.227 7.031 1.00 0.00 H new ATOM 0 HD2 PRO A 14 13.007 -0.103 6.855 1.00 0.00 H new ATOM 0 HD3 PRO A 14 14.367 -0.693 7.789 1.00 0.00 H new ATOM 231 N ALA A 15 12.758 3.215 11.254 1.00 0.00 N ATOM 232 CA ALA A 15 11.866 4.156 11.933 1.00 0.00 C ATOM 233 C ALA A 15 11.403 5.301 11.029 1.00 0.00 C ATOM 234 O ALA A 15 11.512 6.469 11.406 1.00 0.00 O ATOM 235 CB ALA A 15 12.609 4.752 13.128 1.00 0.00 C ATOM 0 H ALA A 15 13.660 3.103 11.718 1.00 0.00 H new ATOM 0 HA ALA A 15 10.978 3.602 12.238 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.959 5.456 13.646 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.898 3.954 13.812 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.502 5.271 12.779 1.00 0.00 H new ATOM 241 N GLY A 16 10.889 4.983 9.847 1.00 0.00 N ATOM 242 CA GLY A 16 10.426 6.024 8.932 1.00 0.00 C ATOM 243 C GLY A 16 9.813 5.428 7.673 1.00 0.00 C ATOM 244 O GLY A 16 9.132 6.113 6.911 1.00 0.00 O ATOM 0 H GLY A 16 10.782 4.029 9.502 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.689 6.651 9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.262 6.669 8.661 1.00 0.00 H new ATOM 248 N ALA A 17 10.118 4.159 7.438 1.00 0.00 N ATOM 249 CA ALA A 17 9.660 3.471 6.239 1.00 0.00 C ATOM 250 C ALA A 17 8.153 3.222 6.180 1.00 0.00 C ATOM 251 O ALA A 17 7.552 3.348 5.113 1.00 0.00 O ATOM 252 CB ALA A 17 10.447 2.180 6.029 1.00 0.00 C ATOM 0 H ALA A 17 10.682 3.584 8.064 1.00 0.00 H new ATOM 0 HA ALA A 17 9.859 4.155 5.414 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.091 1.679 5.129 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.506 2.413 5.920 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.306 1.524 6.888 1.00 0.00 H new ATOM 258 N ILE A 18 7.534 2.875 7.296 1.00 0.00 N ATOM 259 CA ILE A 18 6.098 2.629 7.279 1.00 0.00 C ATOM 260 C ILE A 18 5.378 3.893 6.827 1.00 0.00 C ATOM 261 O ILE A 18 4.529 3.858 5.937 1.00 0.00 O ATOM 262 CB ILE A 18 5.612 2.239 8.683 1.00 0.00 C ATOM 263 CG1 ILE A 18 6.174 0.852 9.072 1.00 0.00 C ATOM 264 CG2 ILE A 18 4.076 2.224 8.723 1.00 0.00 C ATOM 265 CD1 ILE A 18 5.292 -0.282 8.529 1.00 0.00 C ATOM 0 H ILE A 18 7.986 2.759 8.203 1.00 0.00 H new ATOM 0 HA ILE A 18 5.883 1.813 6.590 1.00 0.00 H new ATOM 0 HB ILE A 18 5.973 2.976 9.401 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.187 0.746 8.683 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.240 0.776 10.157 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.741 1.946 9.722 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.696 3.215 8.475 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.700 1.500 8.000 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.715 -1.243 8.820 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.286 -0.189 8.939 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.248 -0.220 7.442 1.00 0.00 H new ATOM 277 N ASP A 19 5.739 5.011 7.443 1.00 0.00 N ATOM 278 CA ASP A 19 5.132 6.280 7.083 1.00 0.00 C ATOM 279 C ASP A 19 5.411 6.598 5.618 1.00 0.00 C ATOM 280 O ASP A 19 4.533 7.099 4.917 1.00 0.00 O ATOM 281 CB ASP A 19 5.604 7.411 7.997 1.00 0.00 C ATOM 282 CG ASP A 19 5.020 7.223 9.393 1.00 0.00 C ATOM 283 OD1 ASP A 19 4.108 6.423 9.527 1.00 0.00 O ATOM 284 OD2 ASP A 19 5.487 7.884 10.306 1.00 0.00 O ATOM 0 H ASP A 19 6.439 5.063 8.183 1.00 0.00 H new ATOM 0 HA ASP A 19 4.054 6.192 7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.693 7.421 8.046 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.295 8.374 7.590 1.00 0.00 H new ATOM 289 N ALA A 20 6.623 6.315 5.149 1.00 0.00 N ATOM 290 CA ALA A 20 6.946 6.598 3.757 1.00 0.00 C ATOM 291 C ALA A 20 6.105 5.728 2.817 1.00 0.00 C ATOM 292 O ALA A 20 5.625 6.195 1.785 1.00 0.00 O ATOM 293 CB ALA A 20 8.444 6.395 3.493 1.00 0.00 C ATOM 0 H ALA A 20 7.378 5.901 5.696 1.00 0.00 H new ATOM 0 HA ALA A 20 6.706 7.643 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.662 6.612 2.447 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.020 7.066 4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.716 5.363 3.714 1.00 0.00 H new ATOM 299 N LEU A 21 5.936 4.463 3.188 1.00 0.00 N ATOM 300 CA LEU A 21 5.163 3.520 2.402 1.00 0.00 C ATOM 301 C LEU A 21 3.706 3.966 2.270 1.00 0.00 C ATOM 302 O LEU A 21 3.156 4.010 1.168 1.00 0.00 O ATOM 303 CB LEU A 21 5.286 2.143 3.079 1.00 0.00 C ATOM 304 CG LEU A 21 4.372 1.106 2.429 1.00 0.00 C ATOM 305 CD1 LEU A 21 4.767 0.873 0.967 1.00 0.00 C ATOM 306 CD2 LEU A 21 4.500 -0.216 3.190 1.00 0.00 C ATOM 0 H LEU A 21 6.332 4.068 4.041 1.00 0.00 H new ATOM 0 HA LEU A 21 5.549 3.466 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.320 1.802 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.037 2.235 4.136 1.00 0.00 H new ATOM 0 HG LEU A 21 3.346 1.474 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.103 0.131 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.685 1.809 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.795 0.513 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.851 -0.963 2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.533 -0.560 3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.207 -0.067 4.229 1.00 0.00 H new ATOM 318 N ALA A 22 3.094 4.301 3.406 1.00 0.00 N ATOM 319 CA ALA A 22 1.704 4.751 3.420 1.00 0.00 C ATOM 320 C ALA A 22 1.544 6.008 2.572 1.00 0.00 C ATOM 321 O ALA A 22 0.573 6.131 1.826 1.00 0.00 O ATOM 322 CB ALA A 22 1.242 5.028 4.854 1.00 0.00 C ATOM 0 H ALA A 22 3.537 4.269 4.324 1.00 0.00 H new ATOM 0 HA ALA A 22 1.085 3.959 2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.205 5.362 4.844 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.324 4.116 5.445 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.869 5.803 5.295 1.00 0.00 H new ATOM 328 N GLY A 23 2.486 6.928 2.657 1.00 0.00 N ATOM 329 CA GLY A 23 2.417 8.146 1.861 1.00 0.00 C ATOM 330 C GLY A 23 2.547 7.833 0.382 1.00 0.00 C ATOM 331 O GLY A 23 1.795 8.370 -0.431 1.00 0.00 O ATOM 0 H GLY A 23 3.303 6.860 3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.471 8.654 2.048 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.211 8.829 2.164 1.00 0.00 H new ATOM 335 N GLU A 24 3.490 6.974 0.016 1.00 0.00 N ATOM 336 CA GLU A 24 3.649 6.646 -1.392 1.00 0.00 C ATOM 337 C GLU A 24 2.413 5.919 -1.912 1.00 0.00 C ATOM 338 O GLU A 24 1.946 6.194 -3.016 1.00 0.00 O ATOM 339 CB GLU A 24 4.898 5.785 -1.610 1.00 0.00 C ATOM 340 CG GLU A 24 5.086 5.544 -3.110 1.00 0.00 C ATOM 341 CD GLU A 24 6.272 4.630 -3.336 1.00 0.00 C ATOM 342 OE1 GLU A 24 6.411 3.692 -2.573 1.00 0.00 O ATOM 343 OE2 GLU A 24 7.016 4.874 -4.271 1.00 0.00 O ATOM 0 H GLU A 24 4.136 6.506 0.651 1.00 0.00 H new ATOM 0 HA GLU A 24 3.769 7.576 -1.947 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.775 6.283 -1.197 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.795 4.834 -1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.185 5.098 -3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.243 6.493 -3.624 1.00 0.00 H new ATOM 350 N LEU A 25 1.893 4.984 -1.126 1.00 0.00 N ATOM 351 CA LEU A 25 0.721 4.230 -1.555 1.00 0.00 C ATOM 352 C LEU A 25 -0.497 5.126 -1.753 1.00 0.00 C ATOM 353 O LEU A 25 -1.235 4.962 -2.718 1.00 0.00 O ATOM 354 CB LEU A 25 0.389 3.117 -0.549 1.00 0.00 C ATOM 355 CG LEU A 25 1.454 2.002 -0.595 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.167 0.992 0.523 1.00 0.00 C ATOM 357 CD2 LEU A 25 1.433 1.274 -1.961 1.00 0.00 C ATOM 0 H LEU A 25 2.255 4.733 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 25 0.969 3.783 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.335 3.534 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.592 2.699 -0.773 1.00 0.00 H new ATOM 0 HG LEU A 25 2.438 2.450 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.915 0.200 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.205 1.497 1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.177 0.561 0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.193 0.492 -1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.452 0.827 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.640 1.989 -2.757 1.00 0.00 H new ATOM 369 N SER A 26 -0.709 6.069 -0.845 1.00 0.00 N ATOM 370 CA SER A 26 -1.862 6.960 -0.962 1.00 0.00 C ATOM 371 C SER A 26 -1.820 7.755 -2.265 1.00 0.00 C ATOM 372 O SER A 26 -2.832 7.865 -2.956 1.00 0.00 O ATOM 373 CB SER A 26 -1.895 7.927 0.223 1.00 0.00 C ATOM 374 OG SER A 26 -2.108 7.193 1.423 1.00 0.00 O ATOM 0 H SER A 26 -0.113 6.238 -0.034 1.00 0.00 H new ATOM 0 HA SER A 26 -2.762 6.345 -0.963 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.957 8.479 0.283 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.689 8.661 0.086 1.00 0.00 H new ATOM 0 HG SER A 26 -1.271 6.762 1.696 1.00 0.00 H new ATOM 380 N ARG A 27 -0.664 8.312 -2.605 1.00 0.00 N ATOM 381 CA ARG A 27 -0.556 9.089 -3.836 1.00 0.00 C ATOM 382 C ARG A 27 -0.896 8.209 -5.045 1.00 0.00 C ATOM 383 O ARG A 27 -1.584 8.649 -5.965 1.00 0.00 O ATOM 384 CB ARG A 27 0.858 9.668 -3.978 1.00 0.00 C ATOM 385 CG ARG A 27 0.960 10.481 -5.275 1.00 0.00 C ATOM 386 CD ARG A 27 2.352 11.110 -5.381 1.00 0.00 C ATOM 387 NE ARG A 27 2.535 12.114 -4.338 1.00 0.00 N ATOM 388 CZ ARG A 27 1.975 13.316 -4.432 1.00 0.00 C ATOM 389 NH1 ARG A 27 1.923 13.925 -5.585 1.00 0.00 N ATOM 390 NH2 ARG A 27 1.477 13.887 -3.368 1.00 0.00 N ATOM 0 H ARG A 27 0.195 8.244 -2.060 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.266 9.915 -3.793 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.089 10.302 -3.122 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.592 8.862 -3.985 1.00 0.00 H new ATOM 0 HG2 ARG A 27 0.775 9.837 -6.135 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.197 11.259 -5.289 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.115 10.337 -5.290 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.478 11.568 -6.362 1.00 0.00 H new ATOM 0 HE ARG A 27 3.103 11.889 -3.521 1.00 0.00 H new ATOM 0 HH11 ARG A 27 2.312 13.479 -6.415 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.493 14.847 -5.656 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.518 13.411 -2.467 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.047 14.809 -3.438 1.00 0.00 H new ATOM 404 N ARG A 28 -0.420 6.965 -5.033 1.00 0.00 N ATOM 405 CA ARG A 28 -0.694 6.037 -6.132 1.00 0.00 C ATOM 406 C ARG A 28 -2.191 5.757 -6.254 1.00 0.00 C ATOM 407 O ARG A 28 -2.743 5.711 -7.353 1.00 0.00 O ATOM 408 CB ARG A 28 0.050 4.726 -5.885 1.00 0.00 C ATOM 409 CG ARG A 28 1.552 4.968 -6.043 1.00 0.00 C ATOM 410 CD ARG A 28 2.312 3.666 -5.799 1.00 0.00 C ATOM 411 NE ARG A 28 3.748 3.903 -5.875 1.00 0.00 N ATOM 412 CZ ARG A 28 4.381 3.927 -7.043 1.00 0.00 C ATOM 413 NH1 ARG A 28 4.726 2.810 -7.622 1.00 0.00 N ATOM 414 NH2 ARG A 28 4.656 5.069 -7.611 1.00 0.00 N ATOM 0 H ARG A 28 0.152 6.578 -4.283 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.353 6.492 -7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.168 4.352 -4.885 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.285 3.965 -6.590 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.766 5.343 -7.044 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.883 5.731 -5.339 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.053 3.263 -4.820 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.019 2.921 -6.538 1.00 0.00 H new ATOM 0 HE ARG A 28 4.277 4.053 -5.016 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.510 1.917 -7.178 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.212 2.829 -8.519 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.385 5.942 -7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.142 5.089 -8.508 1.00 0.00 H new ATOM 428 N ILE A 29 -2.836 5.570 -5.104 1.00 0.00 N ATOM 429 CA ILE A 29 -4.268 5.292 -5.070 1.00 0.00 C ATOM 430 C ILE A 29 -5.074 6.460 -5.638 1.00 0.00 C ATOM 431 O ILE A 29 -5.973 6.270 -6.455 1.00 0.00 O ATOM 432 CB ILE A 29 -4.715 4.986 -3.627 1.00 0.00 C ATOM 433 CG1 ILE A 29 -4.139 3.625 -3.167 1.00 0.00 C ATOM 434 CG2 ILE A 29 -6.246 4.945 -3.538 1.00 0.00 C ATOM 435 CD1 ILE A 29 -4.628 2.462 -4.054 1.00 0.00 C ATOM 0 H ILE A 29 -2.390 5.606 -4.187 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.457 4.419 -5.695 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.340 5.777 -2.978 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.050 3.666 -3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.429 3.439 -2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.545 4.728 -2.513 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.654 5.910 -3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.628 4.168 -4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.200 1.526 -3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.716 2.404 -4.010 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.315 2.633 -5.084 1.00 0.00 H new ATOM 447 N GLN A 30 -4.740 7.665 -5.207 1.00 0.00 N ATOM 448 CA GLN A 30 -5.436 8.853 -5.686 1.00 0.00 C ATOM 449 C GLN A 30 -5.289 9.004 -7.193 1.00 0.00 C ATOM 450 O GLN A 30 -6.257 9.350 -7.868 1.00 0.00 O ATOM 451 CB GLN A 30 -4.908 10.109 -4.977 1.00 0.00 C ATOM 452 CG GLN A 30 -5.713 11.342 -5.414 1.00 0.00 C ATOM 453 CD GLN A 30 -5.200 12.583 -4.688 1.00 0.00 C ATOM 454 OE1 GLN A 30 -4.621 12.477 -3.608 1.00 0.00 O ATOM 455 NE2 GLN A 30 -5.384 13.760 -5.222 1.00 0.00 N ATOM 0 H GLN A 30 -3.998 7.849 -4.532 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.495 8.735 -5.455 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -4.980 9.983 -3.897 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.853 10.252 -5.212 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -5.627 11.479 -6.492 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.770 11.193 -5.195 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.865 13.844 -6.118 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -5.047 14.595 -4.743 1.00 0.00 H new ATOM 464 N TYR A 31 -4.101 8.750 -7.743 1.00 0.00 N ATOM 465 CA TYR A 31 -3.917 8.878 -9.178 1.00 0.00 C ATOM 466 C TYR A 31 -4.743 7.820 -9.912 1.00 0.00 C ATOM 467 O TYR A 31 -5.329 8.097 -10.959 1.00 0.00 O ATOM 468 CB TYR A 31 -2.437 8.750 -9.546 1.00 0.00 C ATOM 469 CG TYR A 31 -2.279 8.888 -11.041 1.00 0.00 C ATOM 470 CD1 TYR A 31 -2.079 10.153 -11.606 1.00 0.00 C ATOM 471 CD2 TYR A 31 -2.337 7.755 -11.860 1.00 0.00 C ATOM 472 CE1 TYR A 31 -1.936 10.284 -12.991 1.00 0.00 C ATOM 473 CE2 TYR A 31 -2.195 7.887 -13.247 1.00 0.00 C ATOM 474 CZ TYR A 31 -1.995 9.152 -13.813 1.00 0.00 C ATOM 475 OH TYR A 31 -1.857 9.285 -15.178 1.00 0.00 O ATOM 0 H TYR A 31 -3.271 8.461 -7.225 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.261 9.866 -9.484 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.856 9.518 -9.035 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.051 7.786 -9.216 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.035 11.027 -10.973 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -2.491 6.780 -11.423 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.780 11.260 -13.427 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.240 7.013 -13.880 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.921 8.403 -15.601 1.00 0.00 H new ATOM 485 N ALA A 32 -4.776 6.610 -9.367 1.00 0.00 N ATOM 486 CA ALA A 32 -5.522 5.514 -9.986 1.00 0.00 C ATOM 487 C ALA A 32 -7.035 5.707 -9.874 1.00 0.00 C ATOM 488 O ALA A 32 -7.786 5.379 -10.792 1.00 0.00 O ATOM 489 CB ALA A 32 -5.133 4.198 -9.307 1.00 0.00 C ATOM 0 H ALA A 32 -4.298 6.360 -8.501 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.268 5.496 -11.046 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.685 3.376 -9.763 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.063 4.028 -9.429 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.373 4.251 -8.245 1.00 0.00 H new ATOM 495 N PHE A 33 -7.471 6.222 -8.726 1.00 0.00 N ATOM 496 CA PHE A 33 -8.898 6.442 -8.461 1.00 0.00 C ATOM 497 C PHE A 33 -9.184 7.928 -8.216 1.00 0.00 C ATOM 498 O PHE A 33 -9.157 8.384 -7.073 1.00 0.00 O ATOM 499 CB PHE A 33 -9.304 5.644 -7.221 1.00 0.00 C ATOM 500 CG PHE A 33 -9.058 4.169 -7.456 1.00 0.00 C ATOM 501 CD1 PHE A 33 -7.821 3.602 -7.125 1.00 0.00 C ATOM 502 CD2 PHE A 33 -10.070 3.365 -7.999 1.00 0.00 C ATOM 503 CE1 PHE A 33 -7.594 2.238 -7.337 1.00 0.00 C ATOM 504 CE2 PHE A 33 -9.842 1.999 -8.210 1.00 0.00 C ATOM 505 CZ PHE A 33 -8.604 1.435 -7.879 1.00 0.00 C ATOM 0 H PHE A 33 -6.857 6.497 -7.960 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.470 6.115 -9.329 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.734 5.984 -6.356 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.357 5.815 -6.996 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.041 4.219 -6.705 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -11.025 3.799 -8.255 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -6.638 1.804 -7.082 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -10.622 1.380 -8.628 1.00 0.00 H new ATOM 0 HZ PHE A 33 -8.429 0.382 -8.042 1.00 0.00 H new ATOM 515 N PRO A 34 -9.449 8.691 -9.254 1.00 0.00 N ATOM 516 CA PRO A 34 -9.733 10.151 -9.120 1.00 0.00 C ATOM 517 C PRO A 34 -11.125 10.455 -8.558 1.00 0.00 C ATOM 518 O PRO A 34 -11.357 11.506 -7.960 1.00 0.00 O ATOM 519 CB PRO A 34 -9.612 10.702 -10.569 1.00 0.00 C ATOM 520 CG PRO A 34 -9.256 9.537 -11.457 1.00 0.00 C ATOM 521 CD PRO A 34 -9.503 8.256 -10.656 1.00 0.00 C ATOM 0 HA PRO A 34 -9.041 10.610 -8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.550 11.157 -10.888 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.847 11.476 -10.624 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -9.862 9.546 -12.363 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -8.214 9.598 -11.771 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -10.470 7.815 -10.899 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -8.746 7.501 -10.868 1.00 0.00 H new ATOM 529 N ASP A 35 -12.056 9.538 -8.821 1.00 0.00 N ATOM 530 CA ASP A 35 -13.454 9.707 -8.413 1.00 0.00 C ATOM 531 C ASP A 35 -13.787 9.083 -7.054 1.00 0.00 C ATOM 532 O ASP A 35 -14.898 9.292 -6.565 1.00 0.00 O ATOM 533 CB ASP A 35 -14.363 9.083 -9.476 1.00 0.00 C ATOM 534 CG ASP A 35 -14.331 9.917 -10.755 1.00 0.00 C ATOM 535 OD1 ASP A 35 -13.902 11.057 -10.687 1.00 0.00 O ATOM 536 OD2 ASP A 35 -14.745 9.404 -11.781 1.00 0.00 O ATOM 0 H ASP A 35 -11.868 8.667 -9.317 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.619 10.780 -8.315 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -14.039 8.064 -9.689 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -15.384 9.020 -9.100 1.00 0.00 H new ATOM 541 N ASN A 36 -12.884 8.300 -6.447 1.00 0.00 N ATOM 542 CA ASN A 36 -13.205 7.654 -5.154 1.00 0.00 C ATOM 543 C ASN A 36 -12.177 7.975 -4.079 1.00 0.00 C ATOM 544 O ASN A 36 -10.982 7.776 -4.300 1.00 0.00 O ATOM 545 CB ASN A 36 -13.218 6.137 -5.357 1.00 0.00 C ATOM 546 CG ASN A 36 -14.269 5.753 -6.396 1.00 0.00 C ATOM 547 OD1 ASN A 36 -13.974 5.013 -7.334 1.00 0.00 O ATOM 548 ND2 ASN A 36 -15.488 6.206 -6.278 1.00 0.00 N ATOM 0 H ASN A 36 -11.953 8.099 -6.811 1.00 0.00 H new ATOM 0 HA ASN A 36 -14.174 8.031 -4.826 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.234 5.798 -5.682 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -13.431 5.638 -4.412 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -16.197 5.947 -6.964 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -15.731 6.819 -5.500 1.00 0.00 H new ATOM 555 N GLU A 37 -12.604 8.430 -2.913 1.00 0.00 N ATOM 556 CA GLU A 37 -11.674 8.717 -1.830 1.00 0.00 C ATOM 557 C GLU A 37 -10.947 7.445 -1.391 1.00 0.00 C ATOM 558 O GLU A 37 -11.581 6.463 -1.007 1.00 0.00 O ATOM 559 CB GLU A 37 -12.522 9.159 -0.624 1.00 0.00 C ATOM 560 CG GLU A 37 -13.361 10.410 -0.949 1.00 0.00 C ATOM 561 CD GLU A 37 -14.191 10.795 0.270 1.00 0.00 C ATOM 562 OE1 GLU A 37 -14.386 9.943 1.122 1.00 0.00 O ATOM 563 OE2 GLU A 37 -14.623 11.934 0.333 1.00 0.00 O ATOM 0 H GLU A 37 -13.583 8.608 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.953 9.465 -2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.182 8.345 -0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.869 9.368 0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.708 11.235 -1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.014 10.213 -1.799 1.00 0.00 H new ATOM 570 N GLY A 38 -9.620 7.483 -1.410 1.00 0.00 N ATOM 571 CA GLY A 38 -8.840 6.320 -0.961 1.00 0.00 C ATOM 572 C GLY A 38 -8.118 6.580 0.356 1.00 0.00 C ATOM 573 O GLY A 38 -7.339 7.530 0.432 1.00 0.00 O ATOM 0 H GLY A 38 -9.066 8.281 -1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.504 5.463 -0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.110 6.057 -1.727 1.00 0.00 H new ATOM 577 N HIS A 39 -8.328 5.751 1.388 1.00 0.00 N ATOM 578 CA HIS A 39 -7.626 5.947 2.667 1.00 0.00 C ATOM 579 C HIS A 39 -6.733 4.738 2.910 1.00 0.00 C ATOM 580 O HIS A 39 -7.213 3.604 2.877 1.00 0.00 O ATOM 581 CB HIS A 39 -8.648 6.071 3.799 1.00 0.00 C ATOM 582 CG HIS A 39 -7.938 6.272 5.109 1.00 0.00 C ATOM 583 ND1 HIS A 39 -7.113 7.360 5.351 1.00 0.00 N ATOM 584 CD2 HIS A 39 -7.918 5.524 6.260 1.00 0.00 C ATOM 585 CE1 HIS A 39 -6.638 7.237 6.605 1.00 0.00 C ATOM 586 NE2 HIS A 39 -7.098 6.136 7.203 1.00 0.00 N ATOM 0 H HIS A 39 -8.964 4.954 1.367 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.026 6.856 2.634 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.318 6.909 3.606 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.265 5.174 3.844 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.457 4.600 6.411 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.966 7.943 7.070 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.893 5.813 8.148 1.00 0.00 H new ATOM 594 N VAL A 40 -5.437 4.959 3.107 1.00 0.00 N ATOM 595 CA VAL A 40 -4.500 3.858 3.298 1.00 0.00 C ATOM 596 C VAL A 40 -3.910 3.857 4.701 1.00 0.00 C ATOM 597 O VAL A 40 -3.397 4.873 5.169 1.00 0.00 O ATOM 598 CB VAL A 40 -3.380 3.999 2.272 1.00 0.00 C ATOM 599 CG1 VAL A 40 -2.439 2.802 2.385 1.00 0.00 C ATOM 600 CG2 VAL A 40 -3.989 4.051 0.864 1.00 0.00 C ATOM 0 H VAL A 40 -5.013 5.886 3.138 1.00 0.00 H new ATOM 0 HA VAL A 40 -5.033 2.916 3.167 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.820 4.916 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.637 2.899 1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.013 2.768 3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.994 1.883 2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.193 4.152 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.545 3.133 0.674 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.662 4.905 0.790 1.00 0.00 H new ATOM 610 N SER A 41 -3.958 2.695 5.354 1.00 0.00 N ATOM 611 CA SER A 41 -3.392 2.549 6.700 1.00 0.00 C ATOM 612 C SER A 41 -2.390 1.407 6.718 1.00 0.00 C ATOM 613 O SER A 41 -2.614 0.358 6.112 1.00 0.00 O ATOM 614 CB SER A 41 -4.491 2.307 7.736 1.00 0.00 C ATOM 615 OG SER A 41 -5.299 3.472 7.844 1.00 0.00 O ATOM 0 H SER A 41 -4.379 1.846 4.978 1.00 0.00 H new ATOM 0 HA SER A 41 -2.883 3.477 6.961 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.101 1.453 7.443 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.049 2.066 8.703 1.00 0.00 H new ATOM 0 HG SER A 41 -6.006 3.320 8.506 1.00 0.00 H new ATOM 621 N VAL A 42 -1.287 1.612 7.435 1.00 0.00 N ATOM 622 CA VAL A 42 -0.252 0.583 7.553 1.00 0.00 C ATOM 623 C VAL A 42 0.085 0.377 9.025 1.00 0.00 C ATOM 624 O VAL A 42 0.377 1.332 9.745 1.00 0.00 O ATOM 625 CB VAL A 42 1.010 0.979 6.772 1.00 0.00 C ATOM 626 CG1 VAL A 42 2.041 -0.152 6.844 1.00 0.00 C ATOM 627 CG2 VAL A 42 0.654 1.256 5.304 1.00 0.00 C ATOM 0 H VAL A 42 -1.086 2.475 7.941 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.630 -0.347 7.128 1.00 0.00 H new ATOM 0 HB VAL A 42 1.431 1.882 7.215 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.934 0.134 6.288 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.305 -0.338 7.885 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.618 -1.058 6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.555 1.536 4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.224 0.359 4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.069 2.070 5.252 1.00 0.00 H new ATOM 637 N ARG A 43 0.036 -0.882 9.470 1.00 0.00 N ATOM 638 CA ARG A 43 0.332 -1.204 10.867 1.00 0.00 C ATOM 639 C ARG A 43 0.991 -2.578 10.978 1.00 0.00 C ATOM 640 O ARG A 43 0.842 -3.419 10.092 1.00 0.00 O ATOM 641 CB ARG A 43 -0.960 -1.146 11.698 1.00 0.00 C ATOM 642 CG ARG A 43 -0.710 -1.685 13.109 1.00 0.00 C ATOM 643 CD ARG A 43 -1.924 -1.383 13.990 1.00 0.00 C ATOM 644 NE ARG A 43 -2.001 0.050 14.248 1.00 0.00 N ATOM 645 CZ ARG A 43 -3.069 0.596 14.819 1.00 0.00 C ATOM 646 NH1 ARG A 43 -3.484 0.161 15.977 1.00 0.00 N ATOM 647 NH2 ARG A 43 -3.700 1.571 14.225 1.00 0.00 N ATOM 0 H ARG A 43 -0.203 -1.686 8.890 1.00 0.00 H new ATOM 0 HA ARG A 43 1.034 -0.468 11.259 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.319 -0.118 11.752 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.740 -1.731 11.211 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.531 -2.760 13.073 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.184 -1.227 13.532 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.835 -1.723 13.498 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.847 -1.928 14.931 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.217 0.647 13.984 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.988 -0.598 16.444 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.304 0.580 16.415 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.373 1.914 13.322 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -4.520 1.990 14.664 1.00 0.00 H new ATOM 661 N TYR A 44 1.702 -2.804 12.079 1.00 0.00 N ATOM 662 CA TYR A 44 2.360 -4.091 12.297 1.00 0.00 C ATOM 663 C TYR A 44 1.349 -5.083 12.857 1.00 0.00 C ATOM 664 O TYR A 44 0.521 -4.736 13.698 1.00 0.00 O ATOM 665 CB TYR A 44 3.534 -3.964 13.275 1.00 0.00 C ATOM 666 CG TYR A 44 4.708 -3.260 12.627 1.00 0.00 C ATOM 667 CD1 TYR A 44 5.352 -3.836 11.524 1.00 0.00 C ATOM 668 CD2 TYR A 44 5.168 -2.040 13.145 1.00 0.00 C ATOM 669 CE1 TYR A 44 6.451 -3.193 10.940 1.00 0.00 C ATOM 670 CE2 TYR A 44 6.265 -1.399 12.560 1.00 0.00 C ATOM 671 CZ TYR A 44 6.907 -1.975 11.458 1.00 0.00 C ATOM 672 OH TYR A 44 7.990 -1.343 10.882 1.00 0.00 O ATOM 0 H TYR A 44 1.837 -2.123 12.826 1.00 0.00 H new ATOM 0 HA TYR A 44 2.749 -4.439 11.340 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.217 -3.411 14.159 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.840 -4.955 13.611 1.00 0.00 H new ATOM 0 HD1 TYR A 44 5.001 -4.776 11.124 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.674 -1.595 13.996 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.947 -3.637 10.090 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.617 -0.459 12.959 1.00 0.00 H new ATOM 0 HH TYR A 44 8.175 -0.509 11.362 1.00 0.00 H new ATOM 682 N ALA A 45 1.425 -6.328 12.383 1.00 0.00 N ATOM 683 CA ALA A 45 0.522 -7.386 12.825 1.00 0.00 C ATOM 684 C ALA A 45 1.298 -8.690 12.957 1.00 0.00 C ATOM 685 O ALA A 45 2.438 -8.784 12.502 1.00 0.00 O ATOM 686 CB ALA A 45 -0.605 -7.566 11.807 1.00 0.00 C ATOM 0 H ALA A 45 2.109 -6.627 11.688 1.00 0.00 H new ATOM 0 HA ALA A 45 0.094 -7.114 13.790 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.276 -8.357 12.143 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.162 -6.634 11.712 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.182 -7.835 10.839 1.00 0.00 H new ATOM 692 N ALA A 46 0.689 -9.694 13.575 1.00 0.00 N ATOM 693 CA ALA A 46 1.365 -10.974 13.739 1.00 0.00 C ATOM 694 C ALA A 46 1.704 -11.570 12.371 1.00 0.00 C ATOM 695 O ALA A 46 2.641 -12.359 12.255 1.00 0.00 O ATOM 696 CB ALA A 46 0.511 -11.942 14.559 1.00 0.00 C ATOM 0 H ALA A 46 -0.253 -9.650 13.964 1.00 0.00 H new ATOM 0 HA ALA A 46 2.294 -10.807 14.284 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.038 -12.890 14.667 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.324 -11.516 15.545 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.438 -12.110 14.050 1.00 0.00 H new ATOM 702 N ALA A 47 0.924 -11.225 11.339 1.00 0.00 N ATOM 703 CA ALA A 47 1.161 -11.783 9.998 1.00 0.00 C ATOM 704 C ALA A 47 0.968 -10.754 8.885 1.00 0.00 C ATOM 705 O ALA A 47 0.177 -9.819 9.019 1.00 0.00 O ATOM 706 CB ALA A 47 0.220 -12.966 9.756 1.00 0.00 C ATOM 0 H ALA A 47 0.139 -10.576 11.401 1.00 0.00 H new ATOM 0 HA ALA A 47 2.202 -12.106 9.969 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.399 -13.376 8.762 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.404 -13.736 10.505 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.814 -12.629 9.829 1.00 0.00 H new ATOM 712 N ASN A 48 1.656 -10.970 7.765 1.00 0.00 N ATOM 713 CA ASN A 48 1.512 -10.094 6.607 1.00 0.00 C ATOM 714 C ASN A 48 0.157 -10.372 5.962 1.00 0.00 C ATOM 715 O ASN A 48 -0.175 -11.521 5.674 1.00 0.00 O ATOM 716 CB ASN A 48 2.634 -10.364 5.600 1.00 0.00 C ATOM 717 CG ASN A 48 2.478 -11.754 4.994 1.00 0.00 C ATOM 718 OD1 ASN A 48 1.913 -12.648 5.623 1.00 0.00 O ATOM 719 ND2 ASN A 48 2.959 -11.994 3.804 1.00 0.00 N ATOM 0 H ASN A 48 2.314 -11.739 7.636 1.00 0.00 H new ATOM 0 HA ASN A 48 1.574 -9.051 6.919 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.613 -9.612 4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.602 -10.282 6.093 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.867 -12.924 3.395 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.427 -11.252 3.284 1.00 0.00 H new ATOM 726 N ASN A 49 -0.624 -9.321 5.733 1.00 0.00 N ATOM 727 CA ASN A 49 -1.939 -9.465 5.116 1.00 0.00 C ATOM 728 C ASN A 49 -2.322 -8.178 4.391 1.00 0.00 C ATOM 729 O ASN A 49 -1.930 -7.084 4.799 1.00 0.00 O ATOM 730 CB ASN A 49 -2.992 -9.782 6.190 1.00 0.00 C ATOM 731 CG ASN A 49 -4.251 -10.357 5.545 1.00 0.00 C ATOM 732 OD1 ASN A 49 -4.207 -10.847 4.417 1.00 0.00 O ATOM 733 ND2 ASN A 49 -5.382 -10.317 6.198 1.00 0.00 N ATOM 0 H ASN A 49 -0.370 -8.361 5.965 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.900 -10.283 4.397 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.586 -10.494 6.908 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.240 -8.877 6.744 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.230 -10.692 5.773 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.417 -9.911 7.133 1.00 0.00 H new ATOM 740 N LEU A 50 -3.117 -8.317 3.333 1.00 0.00 N ATOM 741 CA LEU A 50 -3.599 -7.174 2.555 1.00 0.00 C ATOM 742 C LEU A 50 -5.115 -7.280 2.517 1.00 0.00 C ATOM 743 O LEU A 50 -5.649 -8.293 2.063 1.00 0.00 O ATOM 744 CB LEU A 50 -3.021 -7.230 1.134 1.00 0.00 C ATOM 745 CG LEU A 50 -3.558 -6.061 0.286 1.00 0.00 C ATOM 746 CD1 LEU A 50 -3.169 -4.719 0.913 1.00 0.00 C ATOM 747 CD2 LEU A 50 -2.983 -6.149 -1.139 1.00 0.00 C ATOM 0 H LEU A 50 -3.445 -9.220 2.990 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.288 -6.229 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.933 -7.187 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.284 -8.178 0.665 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.645 -6.128 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.557 -3.905 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.590 -4.650 1.916 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.083 -4.645 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.364 -5.321 -1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.895 -6.095 -1.096 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.282 -7.093 -1.594 1.00 0.00 H new ATOM 759 N SER A 51 -5.817 -6.249 2.984 1.00 0.00 N ATOM 760 CA SER A 51 -7.282 -6.265 2.984 1.00 0.00 C ATOM 761 C SER A 51 -7.826 -5.058 2.223 1.00 0.00 C ATOM 762 O SER A 51 -7.432 -3.923 2.491 1.00 0.00 O ATOM 763 CB SER A 51 -7.773 -6.207 4.430 1.00 0.00 C ATOM 764 OG SER A 51 -7.041 -5.209 5.128 1.00 0.00 O ATOM 0 H SER A 51 -5.402 -5.399 3.364 1.00 0.00 H new ATOM 0 HA SER A 51 -7.632 -7.176 2.498 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.839 -5.980 4.457 1.00 0.00 H new ATOM 0 HB3 SER A 51 -7.641 -7.176 4.911 1.00 0.00 H new ATOM 0 HG SER A 51 -7.352 -5.165 6.056 1.00 0.00 H new ATOM 770 N VAL A 52 -8.754 -5.302 1.296 1.00 0.00 N ATOM 771 CA VAL A 52 -9.379 -4.223 0.526 1.00 0.00 C ATOM 772 C VAL A 52 -10.891 -4.292 0.707 1.00 0.00 C ATOM 773 O VAL A 52 -11.502 -5.329 0.446 1.00 0.00 O ATOM 774 CB VAL A 52 -9.026 -4.351 -0.957 1.00 0.00 C ATOM 775 CG1 VAL A 52 -9.719 -3.237 -1.746 1.00 0.00 C ATOM 776 CG2 VAL A 52 -7.510 -4.228 -1.129 1.00 0.00 C ATOM 0 H VAL A 52 -9.090 -6.236 1.060 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.008 -3.264 0.887 1.00 0.00 H new ATOM 0 HB VAL A 52 -9.360 -5.320 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.467 -3.329 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.799 -3.321 -1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.385 -2.267 -1.376 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.255 -4.319 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.179 -3.258 -0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.015 -5.020 -0.567 1.00 0.00 H new ATOM 786 N ILE A 53 -11.496 -3.191 1.150 1.00 0.00 N ATOM 787 CA ILE A 53 -12.948 -3.144 1.359 1.00 0.00 C ATOM 788 C ILE A 53 -13.579 -2.046 0.508 1.00 0.00 C ATOM 789 O ILE A 53 -13.169 -0.888 0.578 1.00 0.00 O ATOM 790 CB ILE A 53 -13.254 -2.869 2.833 1.00 0.00 C ATOM 791 CG1 ILE A 53 -12.653 -3.979 3.707 1.00 0.00 C ATOM 792 CG2 ILE A 53 -14.771 -2.828 3.035 1.00 0.00 C ATOM 793 CD1 ILE A 53 -12.595 -3.510 5.162 1.00 0.00 C ATOM 0 H ILE A 53 -11.009 -2.322 1.371 1.00 0.00 H new ATOM 0 HA ILE A 53 -13.365 -4.108 1.067 1.00 0.00 H new ATOM 0 HB ILE A 53 -12.818 -1.912 3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -13.256 -4.884 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -11.653 -4.232 3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -14.993 -2.632 4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -15.199 -2.036 2.420 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -15.203 -3.786 2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.168 -4.299 5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -11.974 -2.617 5.232 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.602 -3.280 5.510 1.00 0.00 H new ATOM 805 N GLY A 54 -14.594 -2.410 -0.277 1.00 0.00 N ATOM 806 CA GLY A 54 -15.291 -1.435 -1.120 1.00 0.00 C ATOM 807 C GLY A 54 -14.751 -1.428 -2.548 1.00 0.00 C ATOM 808 O GLY A 54 -14.990 -0.476 -3.292 1.00 0.00 O ATOM 0 H GLY A 54 -14.950 -3.363 -0.347 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.356 -1.665 -1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.186 -0.440 -0.687 1.00 0.00 H new ATOM 812 N ALA A 55 -14.004 -2.472 -2.929 1.00 0.00 N ATOM 813 CA ALA A 55 -13.419 -2.537 -4.277 1.00 0.00 C ATOM 814 C ALA A 55 -13.843 -3.801 -5.025 1.00 0.00 C ATOM 815 O ALA A 55 -14.268 -4.792 -4.435 1.00 0.00 O ATOM 816 CB ALA A 55 -11.888 -2.484 -4.178 1.00 0.00 C ATOM 0 H ALA A 55 -13.792 -3.273 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.788 -1.680 -4.840 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.457 -2.532 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.586 -1.553 -3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.532 -3.329 -3.588 1.00 0.00 H new ATOM 822 N THR A 56 -13.665 -3.737 -6.344 1.00 0.00 N ATOM 823 CA THR A 56 -13.948 -4.828 -7.269 1.00 0.00 C ATOM 824 C THR A 56 -12.698 -5.679 -7.465 1.00 0.00 C ATOM 825 O THR A 56 -11.582 -5.238 -7.188 1.00 0.00 O ATOM 826 CB THR A 56 -14.339 -4.232 -8.626 1.00 0.00 C ATOM 827 OG1 THR A 56 -13.254 -3.468 -9.134 1.00 0.00 O ATOM 828 CG2 THR A 56 -15.566 -3.333 -8.463 1.00 0.00 C ATOM 0 H THR A 56 -13.310 -2.901 -6.809 1.00 0.00 H new ATOM 0 HA THR A 56 -14.753 -5.442 -6.866 1.00 0.00 H new ATOM 0 HB THR A 56 -14.576 -5.038 -9.320 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.404 -2.519 -8.942 1.00 0.00 H new ATOM 0 HG21 THR A 56 -15.840 -2.912 -9.430 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.398 -3.920 -8.074 1.00 0.00 H new ATOM 0 HG23 THR A 56 -15.336 -2.526 -7.768 1.00 0.00 H new ATOM 836 N LYS A 57 -12.901 -6.920 -7.909 1.00 0.00 N ATOM 837 CA LYS A 57 -11.796 -7.856 -8.097 1.00 0.00 C ATOM 838 C LYS A 57 -10.746 -7.312 -9.062 1.00 0.00 C ATOM 839 O LYS A 57 -9.550 -7.478 -8.820 1.00 0.00 O ATOM 840 CB LYS A 57 -12.324 -9.188 -8.656 1.00 0.00 C ATOM 841 CG LYS A 57 -13.303 -9.862 -7.674 1.00 0.00 C ATOM 842 CD LYS A 57 -13.810 -11.176 -8.284 1.00 0.00 C ATOM 843 CE LYS A 57 -14.615 -10.896 -9.571 1.00 0.00 C ATOM 844 NZ LYS A 57 -15.758 -11.849 -9.653 1.00 0.00 N ATOM 0 H LYS A 57 -13.819 -7.298 -8.144 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.332 -8.004 -7.122 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -12.825 -9.012 -9.608 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.487 -9.858 -8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.806 -10.057 -6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.141 -9.198 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.967 -11.829 -8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.436 -11.702 -7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.982 -9.870 -9.568 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.974 -11.003 -10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.303 -11.664 -10.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -15.396 -12.824 -9.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.373 -11.725 -8.824 1.00 0.00 H new ATOM 858 N GLU A 58 -11.163 -6.657 -10.141 1.00 0.00 N ATOM 859 CA GLU A 58 -10.205 -6.103 -11.091 1.00 0.00 C ATOM 860 C GLU A 58 -9.406 -4.976 -10.453 1.00 0.00 C ATOM 861 O GLU A 58 -8.201 -4.858 -10.671 1.00 0.00 O ATOM 862 CB GLU A 58 -10.946 -5.591 -12.329 1.00 0.00 C ATOM 863 CG GLU A 58 -9.942 -5.112 -13.377 1.00 0.00 C ATOM 864 CD GLU A 58 -10.683 -4.626 -14.617 1.00 0.00 C ATOM 865 OE1 GLU A 58 -11.884 -4.828 -14.681 1.00 0.00 O ATOM 866 OE2 GLU A 58 -10.038 -4.061 -15.485 1.00 0.00 O ATOM 0 H GLU A 58 -12.142 -6.498 -10.377 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.509 -6.888 -11.387 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.568 -6.384 -12.745 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -11.613 -4.775 -12.052 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.332 -4.307 -12.968 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.264 -5.923 -13.642 1.00 0.00 H new ATOM 873 N ASP A 59 -10.079 -4.159 -9.633 1.00 0.00 N ATOM 874 CA ASP A 59 -9.403 -3.067 -8.948 1.00 0.00 C ATOM 875 C ASP A 59 -8.360 -3.652 -8.007 1.00 0.00 C ATOM 876 O ASP A 59 -7.241 -3.152 -7.902 1.00 0.00 O ATOM 877 CB ASP A 59 -10.413 -2.234 -8.154 1.00 0.00 C ATOM 878 CG ASP A 59 -11.302 -1.444 -9.108 1.00 0.00 C ATOM 879 OD1 ASP A 59 -10.871 -1.201 -10.224 1.00 0.00 O ATOM 880 OD2 ASP A 59 -12.398 -1.091 -8.709 1.00 0.00 O ATOM 0 H ASP A 59 -11.076 -4.237 -9.434 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.921 -2.418 -9.680 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.024 -2.886 -7.530 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.888 -1.553 -7.484 1.00 0.00 H new ATOM 885 N LYS A 60 -8.754 -4.718 -7.321 1.00 0.00 N ATOM 886 CA LYS A 60 -7.860 -5.375 -6.378 1.00 0.00 C ATOM 887 C LYS A 60 -6.639 -5.973 -7.079 1.00 0.00 C ATOM 888 O LYS A 60 -5.528 -5.856 -6.564 1.00 0.00 O ATOM 889 CB LYS A 60 -8.603 -6.434 -5.554 1.00 0.00 C ATOM 890 CG LYS A 60 -7.637 -7.107 -4.571 1.00 0.00 C ATOM 891 CD LYS A 60 -8.393 -8.144 -3.741 1.00 0.00 C ATOM 892 CE LYS A 60 -7.393 -8.979 -2.942 1.00 0.00 C ATOM 893 NZ LYS A 60 -6.636 -8.091 -2.014 1.00 0.00 N ATOM 0 H LYS A 60 -9.678 -5.142 -7.399 1.00 0.00 H new ATOM 0 HA LYS A 60 -7.497 -4.612 -5.690 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -9.426 -5.971 -5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.040 -7.181 -6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.822 -7.585 -5.115 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.188 -6.360 -3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.091 -7.648 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.983 -8.788 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.916 -9.751 -2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.706 -9.488 -3.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.120 -8.671 -1.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.960 -7.517 -2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.299 -7.464 -1.515 1.00 0.00 H new ATOM 907 N GLN A 61 -6.802 -6.582 -8.250 1.00 0.00 N ATOM 908 CA GLN A 61 -5.640 -7.125 -8.948 1.00 0.00 C ATOM 909 C GLN A 61 -4.713 -5.971 -9.306 1.00 0.00 C ATOM 910 O GLN A 61 -3.497 -6.076 -9.152 1.00 0.00 O ATOM 911 CB GLN A 61 -6.084 -7.872 -10.211 1.00 0.00 C ATOM 912 CG GLN A 61 -4.880 -8.559 -10.859 1.00 0.00 C ATOM 913 CD GLN A 61 -4.376 -9.682 -9.958 1.00 0.00 C ATOM 914 OE1 GLN A 61 -3.270 -9.600 -9.422 1.00 0.00 O ATOM 915 NE2 GLN A 61 -5.127 -10.729 -9.754 1.00 0.00 N ATOM 0 H GLN A 61 -7.696 -6.710 -8.724 1.00 0.00 H new ATOM 0 HA GLN A 61 -5.114 -7.833 -8.307 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.844 -8.612 -9.959 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.539 -7.175 -10.915 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.160 -8.960 -11.833 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -4.085 -7.833 -11.030 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.042 -10.794 -10.199 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.799 -11.482 -9.149 1.00 0.00 H new ATOM 924 N ARG A 62 -5.285 -4.860 -9.791 1.00 0.00 N ATOM 925 CA ARG A 62 -4.473 -3.709 -10.165 1.00 0.00 C ATOM 926 C ARG A 62 -3.697 -3.206 -8.947 1.00 0.00 C ATOM 927 O ARG A 62 -2.500 -2.927 -9.037 1.00 0.00 O ATOM 928 CB ARG A 62 -5.347 -2.600 -10.763 1.00 0.00 C ATOM 929 CG ARG A 62 -4.488 -1.379 -11.122 1.00 0.00 C ATOM 930 CD ARG A 62 -5.371 -0.310 -11.767 1.00 0.00 C ATOM 931 NE ARG A 62 -4.607 0.913 -11.984 1.00 0.00 N ATOM 932 CZ ARG A 62 -3.667 0.982 -12.921 1.00 0.00 C ATOM 933 NH1 ARG A 62 -3.658 0.120 -13.901 1.00 0.00 N ATOM 934 NH2 ARG A 62 -2.754 1.913 -12.860 1.00 0.00 N ATOM 0 H ARG A 62 -6.288 -4.741 -9.929 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.758 -4.012 -10.930 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.856 -2.969 -11.653 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.120 -2.312 -10.050 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -4.010 -0.981 -10.227 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.691 -1.670 -11.806 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.762 -0.676 -12.716 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.229 -0.103 -11.127 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.798 1.731 -11.406 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.372 -0.607 -13.948 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.937 0.173 -14.620 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.763 2.586 -12.094 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.032 1.967 -13.578 1.00 0.00 H new ATOM 948 N ILE A 63 -4.378 -3.097 -7.814 1.00 0.00 N ATOM 949 CA ILE A 63 -3.721 -2.630 -6.596 1.00 0.00 C ATOM 950 C ILE A 63 -2.582 -3.566 -6.195 1.00 0.00 C ATOM 951 O ILE A 63 -1.492 -3.104 -5.859 1.00 0.00 O ATOM 952 CB ILE A 63 -4.728 -2.449 -5.461 1.00 0.00 C ATOM 953 CG1 ILE A 63 -5.629 -1.246 -5.770 1.00 0.00 C ATOM 954 CG2 ILE A 63 -3.998 -2.211 -4.130 1.00 0.00 C ATOM 955 CD1 ILE A 63 -6.868 -1.289 -4.874 1.00 0.00 C ATOM 0 H ILE A 63 -5.368 -3.321 -7.710 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.285 -1.653 -6.802 1.00 0.00 H new ATOM 0 HB ILE A 63 -5.331 -3.353 -5.375 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.082 -0.318 -5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.926 -1.261 -6.819 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -4.729 -2.084 -3.332 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.361 -3.067 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.385 -1.313 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.507 -0.434 -5.095 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.419 -2.211 -5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -6.562 -1.253 -3.828 1.00 0.00 H new ATOM 967 N SER A 64 -2.805 -4.871 -6.267 1.00 0.00 N ATOM 968 CA SER A 64 -1.730 -5.795 -5.940 1.00 0.00 C ATOM 969 C SER A 64 -0.581 -5.523 -6.903 1.00 0.00 C ATOM 970 O SER A 64 0.578 -5.512 -6.486 1.00 0.00 O ATOM 971 CB SER A 64 -2.194 -7.245 -6.088 1.00 0.00 C ATOM 972 OG SER A 64 -3.279 -7.484 -5.202 1.00 0.00 O ATOM 0 H SER A 64 -3.688 -5.302 -6.539 1.00 0.00 H new ATOM 0 HA SER A 64 -1.417 -5.649 -4.906 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.500 -7.438 -7.116 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.372 -7.926 -5.867 1.00 0.00 H new ATOM 0 HG SER A 64 -4.075 -7.012 -5.524 1.00 0.00 H new ATOM 978 N GLU A 65 -0.876 -5.297 -8.193 1.00 0.00 N ATOM 979 CA GLU A 65 0.184 -5.027 -9.157 1.00 0.00 C ATOM 980 C GLU A 65 0.923 -3.744 -8.782 1.00 0.00 C ATOM 981 O GLU A 65 2.152 -3.696 -8.834 1.00 0.00 O ATOM 982 CB GLU A 65 -0.379 -4.926 -10.575 1.00 0.00 C ATOM 983 CG GLU A 65 -0.834 -6.311 -11.040 1.00 0.00 C ATOM 984 CD GLU A 65 -1.433 -6.220 -12.439 1.00 0.00 C ATOM 985 OE1 GLU A 65 -1.650 -5.111 -12.897 1.00 0.00 O ATOM 986 OE2 GLU A 65 -1.664 -7.261 -13.032 1.00 0.00 O ATOM 0 H GLU A 65 -1.820 -5.297 -8.579 1.00 0.00 H new ATOM 0 HA GLU A 65 0.889 -5.858 -9.133 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.217 -4.229 -10.597 1.00 0.00 H new ATOM 0 HB3 GLU A 65 0.379 -4.534 -11.252 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.011 -6.999 -11.041 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.571 -6.713 -10.345 1.00 0.00 H new ATOM 993 N ILE A 66 0.184 -2.705 -8.403 1.00 0.00 N ATOM 994 CA ILE A 66 0.817 -1.442 -8.026 1.00 0.00 C ATOM 995 C ILE A 66 1.749 -1.650 -6.839 1.00 0.00 C ATOM 996 O ILE A 66 2.874 -1.152 -6.826 1.00 0.00 O ATOM 997 CB ILE A 66 -0.246 -0.386 -7.691 1.00 0.00 C ATOM 998 CG1 ILE A 66 -0.973 0.019 -8.977 1.00 0.00 C ATOM 999 CG2 ILE A 66 0.433 0.849 -7.094 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -2.191 0.880 -8.632 1.00 0.00 C ATOM 0 H ILE A 66 -0.835 -2.709 -8.349 1.00 0.00 H new ATOM 0 HA ILE A 66 1.404 -1.085 -8.872 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.956 -0.798 -6.974 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.297 0.572 -9.629 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.287 -0.870 -9.524 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -0.321 1.599 -6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.965 0.568 -6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.139 1.260 -7.815 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.706 1.166 -9.549 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.870 0.311 -7.997 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.865 1.776 -8.104 1.00 0.00 H new ATOM 1012 N LEU A 67 1.275 -2.391 -5.851 1.00 0.00 N ATOM 1013 CA LEU A 67 2.083 -2.655 -4.682 1.00 0.00 C ATOM 1014 C LEU A 67 3.346 -3.373 -5.112 1.00 0.00 C ATOM 1015 O LEU A 67 4.441 -3.060 -4.646 1.00 0.00 O ATOM 1016 CB LEU A 67 1.292 -3.509 -3.670 1.00 0.00 C ATOM 1017 CG LEU A 67 2.213 -4.126 -2.588 1.00 0.00 C ATOM 1018 CD1 LEU A 67 2.786 -3.033 -1.672 1.00 0.00 C ATOM 1019 CD2 LEU A 67 1.389 -5.110 -1.749 1.00 0.00 C ATOM 0 H LEU A 67 0.347 -2.814 -5.838 1.00 0.00 H new ATOM 0 HA LEU A 67 2.348 -1.716 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.532 -2.892 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.769 -4.306 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 67 3.043 -4.638 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.430 -3.489 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.366 -2.327 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.969 -2.506 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.023 -5.554 -0.982 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.562 -4.581 -1.275 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.995 -5.896 -2.393 1.00 0.00 H new ATOM 1031 N GLN A 68 3.193 -4.321 -6.015 1.00 0.00 N ATOM 1032 CA GLN A 68 4.340 -5.049 -6.508 1.00 0.00 C ATOM 1033 C GLN A 68 5.320 -4.092 -7.184 1.00 0.00 C ATOM 1034 O GLN A 68 6.508 -4.103 -6.871 1.00 0.00 O ATOM 1035 CB GLN A 68 3.889 -6.127 -7.495 1.00 0.00 C ATOM 1036 CG GLN A 68 5.103 -6.896 -8.013 1.00 0.00 C ATOM 1037 CD GLN A 68 4.638 -8.109 -8.813 1.00 0.00 C ATOM 1038 OE1 GLN A 68 3.453 -8.442 -8.803 1.00 0.00 O ATOM 1039 NE2 GLN A 68 5.504 -8.799 -9.502 1.00 0.00 N ATOM 0 H GLN A 68 2.298 -4.601 -6.416 1.00 0.00 H new ATOM 0 HA GLN A 68 4.843 -5.528 -5.668 1.00 0.00 H new ATOM 0 HB2 GLN A 68 3.195 -6.811 -7.008 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.354 -5.670 -8.328 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.716 -6.248 -8.639 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.727 -7.216 -7.178 1.00 0.00 H new ATOM 0 HE21 GLN A 68 6.486 -8.523 -9.510 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.199 -9.615 -10.033 1.00 0.00 H new ATOM 1048 N GLU A 69 4.839 -3.277 -8.122 1.00 0.00 N ATOM 1049 CA GLU A 69 5.725 -2.355 -8.825 1.00 0.00 C ATOM 1050 C GLU A 69 6.411 -1.374 -7.874 1.00 0.00 C ATOM 1051 O GLU A 69 7.610 -1.127 -7.997 1.00 0.00 O ATOM 1052 CB GLU A 69 4.933 -1.579 -9.881 1.00 0.00 C ATOM 1053 CG GLU A 69 4.534 -2.523 -11.018 1.00 0.00 C ATOM 1054 CD GLU A 69 3.640 -1.790 -12.014 1.00 0.00 C ATOM 1055 OE1 GLU A 69 3.106 -0.755 -11.650 1.00 0.00 O ATOM 1056 OE2 GLU A 69 3.501 -2.276 -13.124 1.00 0.00 O ATOM 0 H GLU A 69 3.861 -3.237 -8.408 1.00 0.00 H new ATOM 0 HA GLU A 69 6.504 -2.950 -9.302 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.043 -1.138 -9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.534 -0.758 -10.271 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.426 -2.896 -11.522 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.010 -3.390 -10.615 1.00 0.00 H new ATOM 1063 N THR A 70 5.664 -0.823 -6.925 1.00 0.00 N ATOM 1064 CA THR A 70 6.240 0.118 -5.965 1.00 0.00 C ATOM 1065 C THR A 70 7.347 -0.556 -5.177 1.00 0.00 C ATOM 1066 O THR A 70 8.450 -0.032 -5.022 1.00 0.00 O ATOM 1067 CB THR A 70 5.155 0.600 -5.013 1.00 0.00 C ATOM 1068 OG1 THR A 70 4.128 1.246 -5.752 1.00 0.00 O ATOM 1069 CG2 THR A 70 5.755 1.576 -4.006 1.00 0.00 C ATOM 0 H THR A 70 4.669 -1.007 -6.798 1.00 0.00 H new ATOM 0 HA THR A 70 6.656 0.969 -6.504 1.00 0.00 H new ATOM 0 HB THR A 70 4.735 -0.253 -4.480 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.578 0.573 -6.205 1.00 0.00 H new ATOM 0 HG21 THR A 70 4.977 1.920 -3.325 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.539 1.076 -3.438 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.178 2.430 -4.535 1.00 0.00 H new ATOM 1077 N TRP A 71 7.005 -1.729 -4.672 1.00 0.00 N ATOM 1078 CA TRP A 71 7.906 -2.532 -3.873 1.00 0.00 C ATOM 1079 C TRP A 71 9.171 -2.830 -4.668 1.00 0.00 C ATOM 1080 O TRP A 71 10.270 -2.817 -4.112 1.00 0.00 O ATOM 1081 CB TRP A 71 7.118 -3.779 -3.456 1.00 0.00 C ATOM 1082 CG TRP A 71 7.841 -4.636 -2.450 1.00 0.00 C ATOM 1083 CD1 TRP A 71 7.989 -5.975 -2.573 1.00 0.00 C ATOM 1084 CD2 TRP A 71 8.464 -4.277 -1.163 1.00 0.00 C ATOM 1085 NE1 TRP A 71 8.691 -6.457 -1.487 1.00 0.00 N ATOM 1086 CE2 TRP A 71 9.006 -5.458 -0.591 1.00 0.00 C ATOM 1087 CE3 TRP A 71 8.631 -3.068 -0.446 1.00 0.00 C ATOM 1088 CZ2 TRP A 71 9.680 -5.441 0.632 1.00 0.00 C ATOM 1089 CZ3 TRP A 71 9.307 -3.057 0.787 1.00 0.00 C ATOM 1090 CH2 TRP A 71 9.831 -4.238 1.321 1.00 0.00 C ATOM 0 H TRP A 71 6.087 -2.151 -4.808 1.00 0.00 H new ATOM 0 HA TRP A 71 8.250 -2.022 -2.973 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.160 -3.471 -3.038 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.902 -4.376 -4.342 1.00 0.00 H new ATOM 0 HD1 TRP A 71 7.617 -6.573 -3.392 1.00 0.00 H new ATOM 0 HE1 TRP A 71 8.947 -7.437 -1.362 1.00 0.00 H new ATOM 0 HE3 TRP A 71 8.236 -2.147 -0.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 10.082 -6.355 1.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 9.422 -2.128 1.326 1.00 0.00 H new ATOM 0 HH2 TRP A 71 10.352 -4.219 2.267 1.00 0.00 H new ATOM 1101 N GLU A 72 9.035 -3.103 -5.956 1.00 0.00 N ATOM 1102 CA GLU A 72 10.191 -3.406 -6.806 1.00 0.00 C ATOM 1103 C GLU A 72 11.001 -2.155 -7.161 1.00 0.00 C ATOM 1104 O GLU A 72 12.141 -2.286 -7.606 1.00 0.00 O ATOM 1105 CB GLU A 72 9.742 -4.123 -8.079 1.00 0.00 C ATOM 1106 CG GLU A 72 9.238 -5.524 -7.728 1.00 0.00 C ATOM 1107 CD GLU A 72 8.789 -6.246 -8.994 1.00 0.00 C ATOM 1108 OE1 GLU A 72 8.527 -5.571 -9.976 1.00 0.00 O ATOM 1109 OE2 GLU A 72 8.710 -7.463 -8.961 1.00 0.00 O ATOM 0 H GLU A 72 8.138 -3.123 -6.442 1.00 0.00 H new ATOM 0 HA GLU A 72 10.846 -4.062 -6.232 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.953 -3.554 -8.570 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.572 -4.190 -8.783 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.028 -6.091 -7.236 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.409 -5.456 -7.024 1.00 0.00 H new ATOM 1116 N SER A 73 10.441 -0.944 -6.991 1.00 0.00 N ATOM 1117 CA SER A 73 11.190 0.280 -7.341 1.00 0.00 C ATOM 1118 C SER A 73 11.634 1.030 -6.092 1.00 0.00 C ATOM 1119 O SER A 73 11.836 2.243 -6.126 1.00 0.00 O ATOM 1120 CB SER A 73 10.318 1.199 -8.197 1.00 0.00 C ATOM 1121 OG SER A 73 9.345 1.823 -7.368 1.00 0.00 O ATOM 0 H SER A 73 9.502 -0.786 -6.625 1.00 0.00 H new ATOM 0 HA SER A 73 12.076 -0.019 -7.901 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.934 1.953 -8.686 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.829 0.626 -8.985 1.00 0.00 H new ATOM 0 HG SER A 73 9.077 1.205 -6.656 1.00 0.00 H new ATOM 1127 N ALA A 74 11.728 0.312 -4.981 1.00 0.00 N ATOM 1128 CA ALA A 74 12.075 0.900 -3.694 1.00 0.00 C ATOM 1129 C ALA A 74 13.364 1.727 -3.673 1.00 0.00 C ATOM 1130 O ALA A 74 13.429 2.761 -3.017 1.00 0.00 O ATOM 1131 CB ALA A 74 12.219 -0.231 -2.674 1.00 0.00 C ATOM 0 H ALA A 74 11.566 -0.694 -4.946 1.00 0.00 H new ATOM 0 HA ALA A 74 11.270 1.596 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.479 0.187 -1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.276 -0.773 -2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.004 -0.914 -2.997 1.00 0.00 H new ATOM 1137 N ASP A 75 14.383 1.271 -4.386 1.00 0.00 N ATOM 1138 CA ASP A 75 15.663 1.983 -4.417 1.00 0.00 C ATOM 1139 C ASP A 75 15.527 3.389 -5.007 1.00 0.00 C ATOM 1140 O ASP A 75 16.364 4.253 -4.751 1.00 0.00 O ATOM 1141 CB ASP A 75 16.679 1.189 -5.243 1.00 0.00 C ATOM 1142 CG ASP A 75 18.052 1.845 -5.154 1.00 0.00 C ATOM 1143 OD1 ASP A 75 18.264 2.608 -4.226 1.00 0.00 O ATOM 1144 OD2 ASP A 75 18.872 1.577 -6.018 1.00 0.00 O ATOM 0 H ASP A 75 14.355 0.420 -4.948 1.00 0.00 H new ATOM 0 HA ASP A 75 16.004 2.081 -3.386 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.733 0.163 -4.879 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.356 1.142 -6.283 1.00 0.00 H new ATOM 1149 N ASP A 76 14.497 3.612 -5.813 1.00 0.00 N ATOM 1150 CA ASP A 76 14.293 4.916 -6.451 1.00 0.00 C ATOM 1151 C ASP A 76 13.423 5.859 -5.605 1.00 0.00 C ATOM 1152 O ASP A 76 13.735 7.044 -5.492 1.00 0.00 O ATOM 1153 CB ASP A 76 13.644 4.711 -7.823 1.00 0.00 C ATOM 1154 CG ASP A 76 13.577 6.035 -8.576 1.00 0.00 C ATOM 1155 OD1 ASP A 76 14.133 7.002 -8.084 1.00 0.00 O ATOM 1156 OD2 ASP A 76 12.972 6.060 -9.636 1.00 0.00 O ATOM 0 H ASP A 76 13.790 2.914 -6.043 1.00 0.00 H new ATOM 0 HA ASP A 76 15.271 5.387 -6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.217 3.985 -8.400 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.641 4.302 -7.702 1.00 0.00 H new ATOM 1161 N TRP A 77 12.312 5.366 -5.060 1.00 0.00 N ATOM 1162 CA TRP A 77 11.408 6.240 -4.291 1.00 0.00 C ATOM 1163 C TRP A 77 11.664 6.235 -2.777 1.00 0.00 C ATOM 1164 O TRP A 77 11.272 7.179 -2.092 1.00 0.00 O ATOM 1165 CB TRP A 77 9.949 5.860 -4.562 1.00 0.00 C ATOM 1166 CG TRP A 77 9.567 4.632 -3.779 1.00 0.00 C ATOM 1167 CD1 TRP A 77 9.552 3.359 -4.262 1.00 0.00 C ATOM 1168 CD2 TRP A 77 9.132 4.540 -2.376 1.00 0.00 C ATOM 1169 NE1 TRP A 77 9.124 2.509 -3.264 1.00 0.00 N ATOM 1170 CE2 TRP A 77 8.858 3.178 -2.091 1.00 0.00 C ATOM 1171 CE3 TRP A 77 8.940 5.482 -1.325 1.00 0.00 C ATOM 1172 CZ2 TRP A 77 8.413 2.768 -0.837 1.00 0.00 C ATOM 1173 CZ3 TRP A 77 8.493 5.058 -0.071 1.00 0.00 C ATOM 1174 CH2 TRP A 77 8.230 3.712 0.170 1.00 0.00 C ATOM 0 H TRP A 77 12.015 4.393 -5.129 1.00 0.00 H new ATOM 0 HA TRP A 77 11.615 7.253 -4.636 1.00 0.00 H new ATOM 0 HB2 TRP A 77 9.295 6.689 -4.291 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.807 5.678 -5.627 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.830 3.063 -5.263 1.00 0.00 H new ATOM 0 HE1 TRP A 77 9.017 1.501 -3.382 1.00 0.00 H new ATOM 0 HE3 TRP A 77 9.141 6.529 -1.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 8.211 1.724 -0.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 8.350 5.781 0.719 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.882 3.399 1.143 1.00 0.00 H new ATOM 1185 N PHE A 78 12.338 5.220 -2.244 1.00 0.00 N ATOM 1186 CA PHE A 78 12.618 5.212 -0.800 1.00 0.00 C ATOM 1187 C PHE A 78 13.894 5.983 -0.527 1.00 0.00 C ATOM 1188 O PHE A 78 14.934 5.729 -1.134 1.00 0.00 O ATOM 1189 CB PHE A 78 12.746 3.782 -0.256 1.00 0.00 C ATOM 1190 CG PHE A 78 13.118 3.829 1.219 1.00 0.00 C ATOM 1191 CD1 PHE A 78 12.255 4.436 2.149 1.00 0.00 C ATOM 1192 CD2 PHE A 78 14.333 3.269 1.665 1.00 0.00 C ATOM 1193 CE1 PHE A 78 12.604 4.479 3.505 1.00 0.00 C ATOM 1194 CE2 PHE A 78 14.671 3.316 3.023 1.00 0.00 C ATOM 1195 CZ PHE A 78 13.808 3.920 3.940 1.00 0.00 C ATOM 0 H PHE A 78 12.692 4.416 -2.763 1.00 0.00 H new ATOM 0 HA PHE A 78 11.780 5.688 -0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 78 11.806 3.246 -0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 78 13.505 3.236 -0.816 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.323 4.869 1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 78 15.004 2.803 0.958 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.940 4.946 4.217 1.00 0.00 H new ATOM 0 HE2 PHE A 78 15.601 2.884 3.362 1.00 0.00 H new ATOM 0 HZ PHE A 78 14.072 3.955 4.987 1.00 0.00 H new ATOM 1205 N VAL A 79 13.795 6.951 0.380 1.00 0.00 N ATOM 1206 CA VAL A 79 14.917 7.810 0.746 1.00 0.00 C ATOM 1207 C VAL A 79 15.196 7.642 2.240 1.00 0.00 C ATOM 1208 O VAL A 79 14.253 7.528 3.022 1.00 0.00 O ATOM 1209 CB VAL A 79 14.528 9.274 0.438 1.00 0.00 C ATOM 1210 CG1 VAL A 79 15.777 10.112 0.152 1.00 0.00 C ATOM 1211 CG2 VAL A 79 13.596 9.310 -0.788 1.00 0.00 C ATOM 0 H VAL A 79 12.933 7.162 0.883 1.00 0.00 H new ATOM 0 HA VAL A 79 15.812 7.544 0.183 1.00 0.00 H new ATOM 0 HB VAL A 79 14.016 9.691 1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 79 15.484 11.140 -0.063 1.00 0.00 H new ATOM 0 HG12 VAL A 79 16.433 10.096 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 79 16.304 9.698 -0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.321 10.342 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.110 8.882 -1.649 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.696 8.732 -0.578 1.00 0.00 H new ATOM 1221 N SER A 80 16.468 7.632 2.654 1.00 0.00 N ATOM 1222 CA SER A 80 16.796 7.482 4.082 1.00 0.00 C ATOM 1223 C SER A 80 17.733 8.601 4.531 1.00 0.00 C ATOM 1224 O SER A 80 18.667 8.970 3.819 1.00 0.00 O ATOM 1225 CB SER A 80 17.471 6.124 4.338 1.00 0.00 C ATOM 1226 OG SER A 80 16.671 5.090 3.781 1.00 0.00 O ATOM 0 H SER A 80 17.275 7.724 2.037 1.00 0.00 H new ATOM 0 HA SER A 80 15.868 7.536 4.651 1.00 0.00 H new ATOM 0 HB2 SER A 80 18.466 6.110 3.893 1.00 0.00 H new ATOM 0 HB3 SER A 80 17.598 5.964 5.409 1.00 0.00 H new ATOM 0 HG SER A 80 15.765 5.142 4.151 1.00 0.00 H new ATOM 1232 N GLU A 81 17.470 9.135 5.719 1.00 0.00 N ATOM 1233 CA GLU A 81 18.289 10.211 6.266 1.00 0.00 C ATOM 1234 C GLU A 81 19.717 9.733 6.511 1.00 0.00 C ATOM 1235 O GLU A 81 20.326 9.248 5.572 1.00 0.00 O ATOM 1236 CB GLU A 81 17.676 10.709 7.574 1.00 0.00 C ATOM 1237 CG GLU A 81 16.307 11.325 7.285 1.00 0.00 C ATOM 1238 CD GLU A 81 15.675 11.831 8.576 1.00 0.00 C ATOM 1239 OE1 GLU A 81 16.089 11.383 9.632 1.00 0.00 O ATOM 1240 OE2 GLU A 81 14.784 12.662 8.491 1.00 0.00 O ATOM 1241 OXT GLU A 81 20.180 9.858 7.633 1.00 0.00 O ATOM 0 H GLU A 81 16.699 8.842 6.320 1.00 0.00 H new ATOM 0 HA GLU A 81 18.319 11.027 5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 81 17.575 9.884 8.280 1.00 0.00 H new ATOM 0 HB3 GLU A 81 18.330 11.447 8.038 1.00 0.00 H new ATOM 0 HG2 GLU A 81 16.412 12.147 6.576 1.00 0.00 H new ATOM 0 HG3 GLU A 81 15.657 10.584 6.820 1.00 0.00 H new TER 1248 GLU A 81