USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 624 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 76 GLN : amide:sc= -3.97! C(o=-3.9!,f=-5.8!) USER MOD Set 1.2: A 77 THR OG1 : rot -44:sc= 0.1 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -6.13! C(o=-6.1!,f=-6.7!) USER MOD Single : A 25 ASN : amide:sc= -0.255 X(o=-0.26,f=-0.077) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000253) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot -100:sc= -0.0779 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 120:sc= -1.79! USER MOD Single : A 43 THR OG1 : rot 110:sc= -1.23 USER MOD Single : A 49 MET CE :methyl 150:sc= -0.768 (180deg=-2.99!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -7.22! C(o=-7.2!,f=-6.7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -130:sc= -0.075 (180deg=-3.03!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.823 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.564 K(o=-0.56,f=-2.4!) USER MOD Single : A 83 MET CE :methyl 153:sc= -3.77! (180deg=-6.02!) USER MOD Single : A 86 ASN : amide:sc= -0.0391 X(o=-0.039,f=-0.23) USER MOD Single : A 92 HIS : no HD1:sc= -0.0397 X(o=-0.04,f=-0.0071) USER MOD Single : A 95 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.35!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 21 1.325 0.000 0.000 1.00 0.00 N ATOM 2 CA GLU A 21 2.073 0.000 -1.245 1.00 0.00 C ATOM 3 C GLU A 21 3.502 0.493 -1.006 1.00 0.00 C ATOM 4 O GLU A 21 4.380 -0.290 -0.645 1.00 0.00 O ATOM 5 CB GLU A 21 1.371 0.849 -2.307 1.00 0.00 C ATOM 6 CG GLU A 21 0.181 0.100 -2.909 1.00 0.00 C ATOM 7 CD GLU A 21 -0.864 -0.221 -1.838 1.00 0.00 C ATOM 8 OE1 GLU A 21 -0.802 -1.289 -1.212 1.00 0.00 O ATOM 9 OE2 GLU A 21 -1.764 0.687 -1.666 1.00 0.00 O ATOM 0 HA GLU A 21 2.120 -1.023 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.030 1.784 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.078 1.110 -3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.273 0.703 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.526 -0.824 -3.374 1.00 0.00 H new ATOM 17 N THR A 22 3.691 1.787 -1.217 1.00 0.00 N ATOM 18 CA THR A 22 4.998 2.393 -1.029 1.00 0.00 C ATOM 19 C THR A 22 4.866 3.910 -0.884 1.00 0.00 C ATOM 20 O THR A 22 4.012 4.527 -1.520 1.00 0.00 O ATOM 21 CB THR A 22 5.888 1.970 -2.199 1.00 0.00 C ATOM 22 OG1 THR A 22 7.197 1.920 -1.639 1.00 0.00 O ATOM 23 CG2 THR A 22 5.986 3.047 -3.280 1.00 0.00 C ATOM 0 H THR A 22 2.961 2.433 -1.516 1.00 0.00 H new ATOM 0 HA THR A 22 5.465 2.049 -0.106 1.00 0.00 H new ATOM 0 HB THR A 22 5.498 1.051 -2.637 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.838 1.652 -2.330 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.629 2.695 -4.087 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.992 3.258 -3.674 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.407 3.956 -2.851 1.00 0.00 H new ATOM 31 N HIS A 23 5.724 4.469 -0.043 1.00 0.00 N ATOM 32 CA HIS A 23 5.715 5.903 0.193 1.00 0.00 C ATOM 33 C HIS A 23 6.601 6.600 -0.841 1.00 0.00 C ATOM 34 O HIS A 23 7.770 6.251 -0.998 1.00 0.00 O ATOM 35 CB HIS A 23 6.124 6.218 1.633 1.00 0.00 C ATOM 36 CG HIS A 23 5.211 5.619 2.676 1.00 0.00 C ATOM 37 ND1 HIS A 23 3.951 5.131 2.378 1.00 0.00 N ATOM 38 CD2 HIS A 23 5.388 5.435 4.016 1.00 0.00 C ATOM 39 CE1 HIS A 23 3.403 4.676 3.496 1.00 0.00 C ATOM 40 NE2 HIS A 23 4.296 4.866 4.510 1.00 0.00 N ATOM 0 H HIS A 23 6.430 3.955 0.483 1.00 0.00 H new ATOM 0 HA HIS A 23 4.703 6.289 0.071 1.00 0.00 H new ATOM 0 HB2 HIS A 23 7.138 5.854 1.800 1.00 0.00 H new ATOM 0 HB3 HIS A 23 6.148 7.300 1.764 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.268 5.707 4.580 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.422 4.233 3.588 1.00 0.00 H new ATOM 0 HE2 HIS A 23 4.148 4.612 5.487 1.00 0.00 H new ATOM 48 N ILE A 24 6.010 7.572 -1.520 1.00 0.00 N ATOM 49 CA ILE A 24 6.731 8.321 -2.535 1.00 0.00 C ATOM 50 C ILE A 24 6.047 9.673 -2.748 1.00 0.00 C ATOM 51 O ILE A 24 5.035 9.967 -2.114 1.00 0.00 O ATOM 52 CB ILE A 24 6.870 7.494 -3.814 1.00 0.00 C ATOM 53 CG1 ILE A 24 5.497 7.112 -4.372 1.00 0.00 C ATOM 54 CG2 ILE A 24 7.755 6.267 -3.581 1.00 0.00 C ATOM 55 CD1 ILE A 24 5.345 7.579 -5.821 1.00 0.00 C ATOM 0 H ILE A 24 5.040 7.858 -1.387 1.00 0.00 H new ATOM 0 HA ILE A 24 7.749 8.527 -2.204 1.00 0.00 H new ATOM 0 HB ILE A 24 7.364 8.109 -4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.367 6.031 -4.319 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.714 7.558 -3.758 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.837 5.697 -4.506 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.747 6.589 -3.264 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.312 5.641 -2.807 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.361 7.295 -6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.452 8.663 -5.867 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.114 7.112 -6.436 1.00 0.00 H new ATOM 67 N ASN A 25 6.626 10.459 -3.644 1.00 0.00 N ATOM 68 CA ASN A 25 6.084 11.772 -3.948 1.00 0.00 C ATOM 69 C ASN A 25 5.142 11.665 -5.149 1.00 0.00 C ATOM 70 O ASN A 25 5.235 10.721 -5.933 1.00 0.00 O ATOM 71 CB ASN A 25 7.198 12.758 -4.308 1.00 0.00 C ATOM 72 CG ASN A 25 7.809 12.421 -5.669 1.00 0.00 C ATOM 73 OD1 ASN A 25 8.695 11.592 -5.793 1.00 0.00 O ATOM 74 ND2 ASN A 25 7.288 13.110 -6.681 1.00 0.00 N ATOM 0 H ASN A 25 7.465 10.212 -4.169 1.00 0.00 H new ATOM 0 HA ASN A 25 5.555 12.131 -3.065 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.799 13.772 -4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.972 12.733 -3.541 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.629 12.958 -7.630 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.548 13.790 -6.508 1.00 0.00 H new ATOM 81 N LEU A 26 4.256 12.644 -5.256 1.00 0.00 N ATOM 82 CA LEU A 26 3.298 12.671 -6.348 1.00 0.00 C ATOM 83 C LEU A 26 3.363 14.032 -7.043 1.00 0.00 C ATOM 84 O LEU A 26 3.564 15.057 -6.393 1.00 0.00 O ATOM 85 CB LEU A 26 1.901 12.304 -5.844 1.00 0.00 C ATOM 86 CG LEU A 26 0.728 12.894 -6.629 1.00 0.00 C ATOM 87 CD1 LEU A 26 -0.409 11.880 -6.761 1.00 0.00 C ATOM 88 CD2 LEU A 26 0.255 14.208 -6.003 1.00 0.00 C ATOM 0 H LEU A 26 4.181 13.425 -4.604 1.00 0.00 H new ATOM 0 HA LEU A 26 3.550 11.918 -7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.808 11.218 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.815 12.624 -4.806 1.00 0.00 H new ATOM 0 HG LEU A 26 1.073 13.123 -7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.230 12.325 -7.323 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.048 10.995 -7.285 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.760 11.596 -5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.579 14.606 -6.580 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.067 14.027 -4.977 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.074 14.927 -6.005 1.00 0.00 H new ATOM 100 N LYS A 27 3.189 13.999 -8.356 1.00 0.00 N ATOM 101 CA LYS A 27 3.225 15.218 -9.147 1.00 0.00 C ATOM 102 C LYS A 27 2.174 15.132 -10.256 1.00 0.00 C ATOM 103 O LYS A 27 2.311 14.338 -11.186 1.00 0.00 O ATOM 104 CB LYS A 27 4.641 15.481 -9.661 1.00 0.00 C ATOM 105 CG LYS A 27 4.632 16.514 -10.790 1.00 0.00 C ATOM 106 CD LYS A 27 3.996 17.826 -10.326 1.00 0.00 C ATOM 107 CE LYS A 27 4.816 19.029 -10.796 1.00 0.00 C ATOM 108 NZ LYS A 27 4.272 19.563 -12.065 1.00 0.00 N ATOM 0 H LYS A 27 3.023 13.147 -8.892 1.00 0.00 H new ATOM 0 HA LYS A 27 2.969 16.080 -8.531 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.268 15.836 -8.843 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.081 14.550 -10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.652 16.699 -11.127 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.081 16.120 -11.644 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.980 17.899 -10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.922 17.834 -9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.803 19.806 -10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.857 18.736 -10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.830 20.389 -12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.323 18.829 -12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.281 19.846 -11.926 1.00 0.00 H new ATOM 121 N VAL A 28 1.149 15.960 -10.121 1.00 0.00 N ATOM 122 CA VAL A 28 0.075 15.988 -11.100 1.00 0.00 C ATOM 123 C VAL A 28 0.253 17.204 -12.011 1.00 0.00 C ATOM 124 O VAL A 28 0.280 18.340 -11.538 1.00 0.00 O ATOM 125 CB VAL A 28 -1.280 15.965 -10.391 1.00 0.00 C ATOM 126 CG1 VAL A 28 -1.199 15.183 -9.079 1.00 0.00 C ATOM 127 CG2 VAL A 28 -1.798 17.385 -10.152 1.00 0.00 C ATOM 0 H VAL A 28 1.039 16.617 -9.348 1.00 0.00 H new ATOM 0 HA VAL A 28 0.111 15.101 -11.732 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.990 15.455 -11.042 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.176 15.182 -8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.895 14.157 -9.285 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.468 15.652 -8.420 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.763 17.340 -9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.088 17.932 -9.531 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.913 17.896 -11.108 1.00 0.00 H new ATOM 137 N SER A 29 0.369 16.926 -13.301 1.00 0.00 N ATOM 138 CA SER A 29 0.544 17.983 -14.282 1.00 0.00 C ATOM 139 C SER A 29 -0.714 18.108 -15.145 1.00 0.00 C ATOM 140 O SER A 29 -1.330 17.105 -15.500 1.00 0.00 O ATOM 141 CB SER A 29 1.767 17.721 -15.162 1.00 0.00 C ATOM 142 OG SER A 29 1.916 16.339 -15.474 1.00 0.00 O ATOM 0 H SER A 29 0.345 15.983 -13.690 1.00 0.00 H new ATOM 0 HA SER A 29 0.708 18.920 -13.750 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.678 18.293 -16.085 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.663 18.076 -14.652 1.00 0.00 H new ATOM 0 HG SER A 29 2.707 16.215 -16.038 1.00 0.00 H new ATOM 148 N ASP A 30 -1.056 19.349 -15.458 1.00 0.00 N ATOM 149 CA ASP A 30 -2.229 19.619 -16.273 1.00 0.00 C ATOM 150 C ASP A 30 -2.034 20.941 -17.018 1.00 0.00 C ATOM 151 O ASP A 30 -1.252 21.789 -16.590 1.00 0.00 O ATOM 152 CB ASP A 30 -3.484 19.745 -15.407 1.00 0.00 C ATOM 153 CG ASP A 30 -3.563 18.762 -14.237 1.00 0.00 C ATOM 154 OD1 ASP A 30 -3.412 17.544 -14.415 1.00 0.00 O ATOM 155 OD2 ASP A 30 -3.795 19.300 -13.088 1.00 0.00 O ATOM 0 H ASP A 30 -0.542 20.179 -15.162 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.353 18.790 -16.970 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.535 20.760 -15.013 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.360 19.604 -16.040 1.00 0.00 H new ATOM 161 N GLY A 31 -2.759 21.076 -18.118 1.00 0.00 N ATOM 162 CA GLY A 31 -2.676 22.281 -18.926 1.00 0.00 C ATOM 163 C GLY A 31 -2.099 23.445 -18.118 1.00 0.00 C ATOM 164 O GLY A 31 -0.960 23.854 -18.337 1.00 0.00 O ATOM 0 H GLY A 31 -3.407 20.371 -18.469 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.051 22.095 -19.799 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.667 22.545 -19.294 1.00 0.00 H new ATOM 168 N SER A 32 -2.912 23.945 -17.199 1.00 0.00 N ATOM 169 CA SER A 32 -2.497 25.054 -16.356 1.00 0.00 C ATOM 170 C SER A 32 -2.592 24.655 -14.882 1.00 0.00 C ATOM 171 O SER A 32 -2.226 25.430 -14.001 1.00 0.00 O ATOM 172 CB SER A 32 -3.347 26.297 -16.625 1.00 0.00 C ATOM 173 OG SER A 32 -2.544 27.453 -16.851 1.00 0.00 O ATOM 0 H SER A 32 -3.856 23.603 -17.020 1.00 0.00 H new ATOM 0 HA SER A 32 -1.461 25.296 -16.594 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.982 26.121 -17.493 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.008 26.475 -15.777 1.00 0.00 H new ATOM 0 HG SER A 32 -3.123 28.225 -17.021 1.00 0.00 H new ATOM 179 N SER A 33 -3.086 23.445 -14.660 1.00 0.00 N ATOM 180 CA SER A 33 -3.233 22.934 -13.308 1.00 0.00 C ATOM 181 C SER A 33 -2.075 21.991 -12.976 1.00 0.00 C ATOM 182 O SER A 33 -2.029 20.862 -13.463 1.00 0.00 O ATOM 183 CB SER A 33 -4.571 22.212 -13.135 1.00 0.00 C ATOM 184 OG SER A 33 -5.558 23.052 -12.541 1.00 0.00 O ATOM 0 H SER A 33 -3.389 22.804 -15.394 1.00 0.00 H new ATOM 0 HA SER A 33 -3.214 23.779 -12.619 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.925 21.867 -14.106 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.428 21.327 -12.515 1.00 0.00 H new ATOM 0 HG SER A 33 -5.634 22.843 -11.587 1.00 0.00 H new ATOM 190 N GLU A 34 -1.167 22.489 -12.149 1.00 0.00 N ATOM 191 CA GLU A 34 -0.012 21.705 -11.746 1.00 0.00 C ATOM 192 C GLU A 34 0.120 21.699 -10.222 1.00 0.00 C ATOM 193 O GLU A 34 -0.005 22.741 -9.580 1.00 0.00 O ATOM 194 CB GLU A 34 1.264 22.231 -12.405 1.00 0.00 C ATOM 195 CG GLU A 34 1.175 22.133 -13.929 1.00 0.00 C ATOM 196 CD GLU A 34 2.463 22.631 -14.587 1.00 0.00 C ATOM 197 OE1 GLU A 34 3.559 22.172 -14.231 1.00 0.00 O ATOM 198 OE2 GLU A 34 2.298 23.528 -15.500 1.00 0.00 O ATOM 0 H GLU A 34 -1.208 23.426 -11.747 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.159 20.679 -12.082 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.427 23.268 -12.113 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.122 21.661 -12.050 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.990 21.099 -14.220 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.329 22.721 -14.286 1.00 0.00 H new ATOM 206 N ILE A 35 0.371 20.514 -9.686 1.00 0.00 N ATOM 207 CA ILE A 35 0.522 20.358 -8.249 1.00 0.00 C ATOM 208 C ILE A 35 1.645 19.360 -7.963 1.00 0.00 C ATOM 209 O ILE A 35 1.864 18.428 -8.736 1.00 0.00 O ATOM 210 CB ILE A 35 -0.815 19.980 -7.608 1.00 0.00 C ATOM 211 CG1 ILE A 35 -1.236 21.018 -6.566 1.00 0.00 C ATOM 212 CG2 ILE A 35 -0.762 18.568 -7.022 1.00 0.00 C ATOM 213 CD1 ILE A 35 -0.187 21.141 -5.459 1.00 0.00 C ATOM 0 H ILE A 35 0.474 19.652 -10.221 1.00 0.00 H new ATOM 0 HA ILE A 35 0.813 21.304 -7.792 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.578 19.977 -8.386 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.377 21.986 -7.048 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.195 20.735 -6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.725 18.324 -6.573 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.540 17.853 -7.814 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.017 18.519 -6.261 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.511 21.885 -4.732 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.066 20.178 -4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.765 21.448 -5.892 1.00 0.00 H new ATOM 225 N PHE A 36 2.328 19.588 -6.851 1.00 0.00 N ATOM 226 CA PHE A 36 3.423 18.720 -6.453 1.00 0.00 C ATOM 227 C PHE A 36 3.508 18.608 -4.930 1.00 0.00 C ATOM 228 O PHE A 36 3.628 19.615 -4.235 1.00 0.00 O ATOM 229 CB PHE A 36 4.711 19.357 -6.978 1.00 0.00 C ATOM 230 CG PHE A 36 4.653 20.882 -7.085 1.00 0.00 C ATOM 231 CD1 PHE A 36 4.016 21.467 -8.134 1.00 0.00 C ATOM 232 CD2 PHE A 36 5.240 21.653 -6.130 1.00 0.00 C ATOM 233 CE1 PHE A 36 3.962 22.882 -8.233 1.00 0.00 C ATOM 234 CE2 PHE A 36 5.186 23.068 -6.229 1.00 0.00 C ATOM 235 CZ PHE A 36 4.548 23.653 -7.278 1.00 0.00 C ATOM 0 H PHE A 36 2.144 20.362 -6.213 1.00 0.00 H new ATOM 0 HA PHE A 36 3.270 17.719 -6.856 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.535 19.080 -6.320 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.935 18.942 -7.961 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.551 20.855 -8.892 1.00 0.00 H new ATOM 0 HD2 PHE A 36 5.747 21.189 -5.297 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.456 23.346 -9.066 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.652 23.680 -5.471 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.507 24.730 -7.353 1.00 0.00 H new ATOM 245 N PHE A 37 3.442 17.372 -4.455 1.00 0.00 N ATOM 246 CA PHE A 37 3.510 17.115 -3.027 1.00 0.00 C ATOM 247 C PHE A 37 3.903 15.662 -2.749 1.00 0.00 C ATOM 248 O PHE A 37 3.784 14.805 -3.624 1.00 0.00 O ATOM 249 CB PHE A 37 2.113 17.370 -2.459 1.00 0.00 C ATOM 250 CG PHE A 37 1.845 18.832 -2.098 1.00 0.00 C ATOM 251 CD1 PHE A 37 2.744 19.523 -1.348 1.00 0.00 C ATOM 252 CD2 PHE A 37 0.707 19.441 -2.528 1.00 0.00 C ATOM 253 CE1 PHE A 37 2.496 20.881 -1.013 1.00 0.00 C ATOM 254 CE2 PHE A 37 0.459 20.799 -2.193 1.00 0.00 C ATOM 255 CZ PHE A 37 1.358 21.490 -1.442 1.00 0.00 C ATOM 0 H PHE A 37 3.342 16.538 -5.034 1.00 0.00 H new ATOM 0 HA PHE A 37 4.260 17.760 -2.569 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.371 17.045 -3.188 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.976 16.756 -1.569 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.647 19.039 -1.007 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.007 18.892 -3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.211 21.430 -0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.444 21.283 -2.535 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.168 22.522 -1.186 1.00 0.00 H new ATOM 265 N LYS A 38 4.364 15.430 -1.529 1.00 0.00 N ATOM 266 CA LYS A 38 4.775 14.096 -1.126 1.00 0.00 C ATOM 267 C LYS A 38 3.596 13.383 -0.460 1.00 0.00 C ATOM 268 O LYS A 38 2.798 14.012 0.234 1.00 0.00 O ATOM 269 CB LYS A 38 6.028 14.163 -0.250 1.00 0.00 C ATOM 270 CG LYS A 38 7.274 14.432 -1.095 1.00 0.00 C ATOM 271 CD LYS A 38 8.532 13.910 -0.399 1.00 0.00 C ATOM 272 CE LYS A 38 9.794 14.346 -1.146 1.00 0.00 C ATOM 273 NZ LYS A 38 11.005 13.885 -0.431 1.00 0.00 N ATOM 0 H LYS A 38 4.462 16.143 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 38 5.055 13.504 -1.997 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.913 14.950 0.496 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.148 13.225 0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.168 13.953 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.371 15.503 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.565 14.281 0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.496 12.822 -0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.784 13.939 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.811 15.432 -1.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.852 14.189 -0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.020 14.294 0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.994 12.847 -0.363 1.00 0.00 H new ATOM 286 N ILE A 39 3.525 12.081 -0.694 1.00 0.00 N ATOM 287 CA ILE A 39 2.457 11.276 -0.125 1.00 0.00 C ATOM 288 C ILE A 39 3.024 9.927 0.322 1.00 0.00 C ATOM 289 O ILE A 39 4.138 9.564 -0.051 1.00 0.00 O ATOM 290 CB ILE A 39 1.292 11.158 -1.110 1.00 0.00 C ATOM 291 CG1 ILE A 39 0.583 12.503 -1.285 1.00 0.00 C ATOM 292 CG2 ILE A 39 0.325 10.051 -0.686 1.00 0.00 C ATOM 293 CD1 ILE A 39 0.886 13.108 -2.657 1.00 0.00 C ATOM 0 H ILE A 39 4.189 11.563 -1.270 1.00 0.00 H new ATOM 0 HA ILE A 39 2.046 11.759 0.762 1.00 0.00 H new ATOM 0 HB ILE A 39 1.695 10.878 -2.083 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.493 12.368 -1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.902 13.191 -0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.494 9.989 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.854 9.098 -0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.075 10.276 0.303 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.370 14.063 -2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.960 13.264 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.544 12.429 -3.438 1.00 0.00 H new ATOM 305 N LYS A 40 2.231 9.222 1.115 1.00 0.00 N ATOM 306 CA LYS A 40 2.639 7.921 1.617 1.00 0.00 C ATOM 307 C LYS A 40 1.928 6.825 0.820 1.00 0.00 C ATOM 308 O LYS A 40 1.189 6.021 1.386 1.00 0.00 O ATOM 309 CB LYS A 40 2.408 7.832 3.126 1.00 0.00 C ATOM 310 CG LYS A 40 3.018 9.036 3.846 1.00 0.00 C ATOM 311 CD LYS A 40 4.382 8.684 4.444 1.00 0.00 C ATOM 312 CE LYS A 40 4.398 8.928 5.955 1.00 0.00 C ATOM 313 NZ LYS A 40 4.720 10.342 6.248 1.00 0.00 N ATOM 0 H LYS A 40 1.308 9.527 1.422 1.00 0.00 H new ATOM 0 HA LYS A 40 3.710 7.776 1.473 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.339 7.784 3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.848 6.912 3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.126 9.866 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.346 9.371 4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.615 7.639 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.158 9.283 3.967 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.427 8.674 6.381 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.133 8.276 6.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.727 10.490 7.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.656 10.573 5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.003 10.958 5.814 1.00 0.00 H new ATOM 326 N LYS A 41 2.176 6.829 -0.482 1.00 0.00 N ATOM 327 CA LYS A 41 1.568 5.845 -1.362 1.00 0.00 C ATOM 328 C LYS A 41 2.007 6.116 -2.802 1.00 0.00 C ATOM 329 O LYS A 41 2.112 7.269 -3.216 1.00 0.00 O ATOM 330 CB LYS A 41 0.050 5.824 -1.175 1.00 0.00 C ATOM 331 CG LYS A 41 -0.407 4.507 -0.546 1.00 0.00 C ATOM 332 CD LYS A 41 -1.556 4.738 0.438 1.00 0.00 C ATOM 333 CE LYS A 41 -1.317 3.983 1.747 1.00 0.00 C ATOM 334 NZ LYS A 41 -1.751 2.574 1.619 1.00 0.00 N ATOM 0 H LYS A 41 2.789 7.498 -0.948 1.00 0.00 H new ATOM 0 HA LYS A 41 1.911 4.842 -1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.254 6.658 -0.542 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.441 5.960 -2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.726 3.818 -1.328 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.430 4.037 -0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.656 5.804 0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.494 4.410 -0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.259 4.022 2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.863 4.466 2.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.582 2.076 2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.765 2.542 1.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.211 2.112 0.859 1.00 0.00 H new ATOM 347 N THR A 42 2.252 5.034 -3.526 1.00 0.00 N ATOM 348 CA THR A 42 2.677 5.140 -4.911 1.00 0.00 C ATOM 349 C THR A 42 1.463 5.138 -5.843 1.00 0.00 C ATOM 350 O THR A 42 1.397 5.928 -6.783 1.00 0.00 O ATOM 351 CB THR A 42 3.661 4.003 -5.193 1.00 0.00 C ATOM 352 OG1 THR A 42 3.517 3.756 -6.589 1.00 0.00 O ATOM 353 CG2 THR A 42 3.238 2.687 -4.536 1.00 0.00 C ATOM 0 H THR A 42 2.164 4.079 -3.179 1.00 0.00 H new ATOM 0 HA THR A 42 3.188 6.085 -5.096 1.00 0.00 H new ATOM 0 HB THR A 42 4.652 4.285 -4.837 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.376 3.902 -7.037 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.970 1.913 -4.767 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.181 2.821 -3.456 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.261 2.388 -4.916 1.00 0.00 H new ATOM 361 N THR A 43 0.533 4.240 -5.549 1.00 0.00 N ATOM 362 CA THR A 43 -0.674 4.125 -6.349 1.00 0.00 C ATOM 363 C THR A 43 -1.101 5.498 -6.872 1.00 0.00 C ATOM 364 O THR A 43 -1.784 6.247 -6.175 1.00 0.00 O ATOM 365 CB THR A 43 -1.743 3.441 -5.495 1.00 0.00 C ATOM 366 OG1 THR A 43 -2.974 3.857 -6.080 1.00 0.00 O ATOM 367 CG2 THR A 43 -1.801 3.999 -4.071 1.00 0.00 C ATOM 0 H THR A 43 0.592 3.586 -4.768 1.00 0.00 H new ATOM 0 HA THR A 43 -0.504 3.514 -7.235 1.00 0.00 H new ATOM 0 HB THR A 43 -1.546 2.370 -5.458 1.00 0.00 H new ATOM 0 HG1 THR A 43 -3.397 3.095 -6.529 1.00 0.00 H new ATOM 0 HG21 THR A 43 -2.576 3.479 -3.508 1.00 0.00 H new ATOM 0 HG22 THR A 43 -0.837 3.852 -3.583 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.031 5.064 -4.107 1.00 0.00 H new ATOM 375 N PRO A 44 -0.669 5.794 -8.127 1.00 0.00 N ATOM 376 CA PRO A 44 -0.999 7.064 -8.752 1.00 0.00 C ATOM 377 C PRO A 44 -2.458 7.086 -9.211 1.00 0.00 C ATOM 378 O PRO A 44 -3.206 8.001 -8.871 1.00 0.00 O ATOM 379 CB PRO A 44 -0.013 7.206 -9.900 1.00 0.00 C ATOM 380 CG PRO A 44 0.524 5.809 -10.163 1.00 0.00 C ATOM 381 CD PRO A 44 0.142 4.932 -8.982 1.00 0.00 C ATOM 0 HA PRO A 44 -0.913 7.906 -8.065 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.501 7.610 -10.787 1.00 0.00 H new ATOM 0 HB3 PRO A 44 0.793 7.892 -9.640 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.107 5.408 -11.087 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.607 5.833 -10.286 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.418 4.055 -9.305 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.025 4.570 -8.456 1.00 0.00 H new ATOM 389 N LEU A 45 -2.820 6.068 -9.978 1.00 0.00 N ATOM 390 CA LEU A 45 -4.176 5.959 -10.488 1.00 0.00 C ATOM 391 C LEU A 45 -5.159 6.430 -9.414 1.00 0.00 C ATOM 392 O LEU A 45 -5.980 7.311 -9.663 1.00 0.00 O ATOM 393 CB LEU A 45 -4.447 4.539 -10.989 1.00 0.00 C ATOM 394 CG LEU A 45 -4.397 3.433 -9.933 1.00 0.00 C ATOM 395 CD1 LEU A 45 -4.882 2.102 -10.510 1.00 0.00 C ATOM 396 CD2 LEU A 45 -2.998 3.319 -9.325 1.00 0.00 C ATOM 0 H LEU A 45 -2.197 5.311 -10.259 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.312 6.609 -11.353 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.431 4.522 -11.457 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.720 4.305 -11.766 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.078 3.700 -9.125 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.836 1.333 -9.739 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.910 2.208 -10.856 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.246 1.815 -11.347 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.990 2.526 -8.577 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.278 3.086 -10.110 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.728 4.264 -8.854 1.00 0.00 H new ATOM 408 N ARG A 46 -5.042 5.822 -8.242 1.00 0.00 N ATOM 409 CA ARG A 46 -5.910 6.168 -7.130 1.00 0.00 C ATOM 410 C ARG A 46 -5.519 7.531 -6.555 1.00 0.00 C ATOM 411 O ARG A 46 -6.380 8.299 -6.129 1.00 0.00 O ATOM 412 CB ARG A 46 -5.834 5.115 -6.023 1.00 0.00 C ATOM 413 CG ARG A 46 -6.361 3.765 -6.514 1.00 0.00 C ATOM 414 CD ARG A 46 -7.629 3.364 -5.757 1.00 0.00 C ATOM 415 NE ARG A 46 -7.805 1.895 -5.807 1.00 0.00 N ATOM 416 CZ ARG A 46 -8.955 1.259 -5.499 1.00 0.00 C ATOM 417 NH1 ARG A 46 -10.044 1.960 -5.116 1.00 0.00 N ATOM 418 NH2 ARG A 46 -9.000 -0.058 -5.577 1.00 0.00 N ATOM 0 H ARG A 46 -4.359 5.092 -8.039 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.932 6.209 -7.508 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.802 5.007 -5.689 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.415 5.445 -5.162 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.572 3.820 -7.582 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.596 3.001 -6.379 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.564 3.696 -4.721 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.496 3.858 -6.196 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.007 1.328 -6.092 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.001 2.977 -5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.909 1.472 -4.885 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.173 -0.580 -5.867 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.862 -0.553 -5.348 1.00 0.00 H new ATOM 431 N ARG A 47 -4.219 7.789 -6.562 1.00 0.00 N ATOM 432 CA ARG A 47 -3.703 9.046 -6.047 1.00 0.00 C ATOM 433 C ARG A 47 -4.210 10.215 -6.894 1.00 0.00 C ATOM 434 O ARG A 47 -5.141 10.916 -6.497 1.00 0.00 O ATOM 435 CB ARG A 47 -2.173 9.053 -6.044 1.00 0.00 C ATOM 436 CG ARG A 47 -1.628 8.939 -4.619 1.00 0.00 C ATOM 437 CD ARG A 47 -1.611 10.303 -3.926 1.00 0.00 C ATOM 438 NE ARG A 47 -2.808 10.448 -3.067 1.00 0.00 N ATOM 439 CZ ARG A 47 -3.107 9.624 -2.041 1.00 0.00 C ATOM 440 NH1 ARG A 47 -2.298 8.587 -1.737 1.00 0.00 N ATOM 441 NH2 ARG A 47 -4.202 9.848 -1.339 1.00 0.00 N ATOM 0 H ARG A 47 -3.508 7.149 -6.916 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.058 9.155 -5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.801 8.225 -6.647 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.809 9.972 -6.504 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.242 8.244 -4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.619 8.527 -4.644 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.707 10.404 -3.325 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.589 11.099 -4.671 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.447 11.219 -3.263 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.453 8.422 -2.284 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.531 7.969 -0.960 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.807 10.634 -1.575 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.443 9.235 -0.560 1.00 0.00 H new ATOM 454 N LEU A 48 -3.576 10.390 -8.044 1.00 0.00 N ATOM 455 CA LEU A 48 -3.952 11.462 -8.950 1.00 0.00 C ATOM 456 C LEU A 48 -5.476 11.585 -8.983 1.00 0.00 C ATOM 457 O LEU A 48 -6.011 12.690 -9.059 1.00 0.00 O ATOM 458 CB LEU A 48 -3.322 11.244 -10.327 1.00 0.00 C ATOM 459 CG LEU A 48 -2.607 12.451 -10.936 1.00 0.00 C ATOM 460 CD1 LEU A 48 -1.096 12.220 -10.998 1.00 0.00 C ATOM 461 CD2 LEU A 48 -3.189 12.800 -12.307 1.00 0.00 C ATOM 0 H LEU A 48 -2.804 9.808 -8.369 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.563 12.416 -8.594 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.608 10.424 -10.252 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.104 10.924 -11.016 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.776 13.310 -10.286 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.612 13.093 -11.435 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.711 12.058 -9.991 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.887 11.344 -11.612 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.662 13.662 -12.717 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.072 11.950 -12.979 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.248 13.038 -12.203 1.00 0.00 H new ATOM 473 N MET A 49 -6.133 10.436 -8.925 1.00 0.00 N ATOM 474 CA MET A 49 -7.585 10.402 -8.948 1.00 0.00 C ATOM 475 C MET A 49 -8.173 11.490 -8.048 1.00 0.00 C ATOM 476 O MET A 49 -9.121 12.173 -8.432 1.00 0.00 O ATOM 477 CB MET A 49 -8.071 9.030 -8.474 1.00 0.00 C ATOM 478 CG MET A 49 -8.911 8.344 -9.553 1.00 0.00 C ATOM 479 SD MET A 49 -10.052 7.196 -8.800 1.00 0.00 S ATOM 480 CE MET A 49 -10.881 8.288 -7.657 1.00 0.00 C ATOM 0 H MET A 49 -5.686 9.521 -8.862 1.00 0.00 H new ATOM 0 HA MET A 49 -7.918 10.583 -9.970 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.215 8.404 -8.222 1.00 0.00 H new ATOM 0 HB3 MET A 49 -8.662 9.143 -7.565 1.00 0.00 H new ATOM 0 HG2 MET A 49 -9.459 9.090 -10.128 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.261 7.818 -10.252 1.00 0.00 H new ATOM 0 HE1 MET A 49 -11.904 7.945 -7.503 1.00 0.00 H new ATOM 0 HE2 MET A 49 -10.351 8.288 -6.704 1.00 0.00 H new ATOM 0 HE3 MET A 49 -10.895 9.299 -8.065 1.00 0.00 H new ATOM 490 N GLU A 50 -7.586 11.619 -6.867 1.00 0.00 N ATOM 491 CA GLU A 50 -8.040 12.613 -5.909 1.00 0.00 C ATOM 492 C GLU A 50 -7.114 13.831 -5.930 1.00 0.00 C ATOM 493 O GLU A 50 -7.576 14.967 -5.836 1.00 0.00 O ATOM 494 CB GLU A 50 -8.132 12.017 -4.503 1.00 0.00 C ATOM 495 CG GLU A 50 -9.322 12.600 -3.738 1.00 0.00 C ATOM 496 CD GLU A 50 -8.884 13.145 -2.377 1.00 0.00 C ATOM 497 OE1 GLU A 50 -8.712 12.370 -1.424 1.00 0.00 O ATOM 498 OE2 GLU A 50 -8.722 14.424 -2.328 1.00 0.00 O ATOM 0 H GLU A 50 -6.799 11.051 -6.552 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.040 12.937 -6.196 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.233 10.934 -4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.210 12.219 -3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.780 13.398 -4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.082 11.831 -3.599 1.00 0.00 H new ATOM 506 N ALA A 51 -5.825 13.552 -6.053 1.00 0.00 N ATOM 507 CA ALA A 51 -4.830 14.611 -6.086 1.00 0.00 C ATOM 508 C ALA A 51 -5.146 15.564 -7.241 1.00 0.00 C ATOM 509 O ALA A 51 -5.499 16.721 -7.016 1.00 0.00 O ATOM 510 CB ALA A 51 -3.434 13.997 -6.203 1.00 0.00 C ATOM 0 H ALA A 51 -5.446 12.608 -6.131 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.855 15.190 -5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.688 14.791 -6.228 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.248 13.351 -5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.370 13.411 -7.120 1.00 0.00 H new ATOM 516 N PHE A 52 -5.007 15.043 -8.451 1.00 0.00 N ATOM 517 CA PHE A 52 -5.273 15.834 -9.641 1.00 0.00 C ATOM 518 C PHE A 52 -6.677 16.440 -9.594 1.00 0.00 C ATOM 519 O PHE A 52 -6.930 17.477 -10.206 1.00 0.00 O ATOM 520 CB PHE A 52 -5.180 14.886 -10.838 1.00 0.00 C ATOM 521 CG PHE A 52 -6.426 14.880 -11.726 1.00 0.00 C ATOM 522 CD1 PHE A 52 -6.607 15.861 -12.649 1.00 0.00 C ATOM 523 CD2 PHE A 52 -7.352 13.893 -11.591 1.00 0.00 C ATOM 524 CE1 PHE A 52 -7.764 15.856 -13.473 1.00 0.00 C ATOM 525 CE2 PHE A 52 -8.508 13.887 -12.415 1.00 0.00 C ATOM 526 CZ PHE A 52 -8.690 14.869 -13.339 1.00 0.00 C ATOM 0 H PHE A 52 -4.714 14.083 -8.633 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.556 16.651 -9.712 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -4.317 15.165 -11.443 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.001 13.874 -10.474 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -5.871 16.644 -12.756 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.208 13.114 -10.857 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -7.908 16.636 -14.206 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -9.243 13.103 -12.308 1.00 0.00 H new ATOM 0 HZ PHE A 52 -9.569 14.865 -13.966 1.00 0.00 H new ATOM 536 N ALA A 53 -7.553 15.768 -8.862 1.00 0.00 N ATOM 537 CA ALA A 53 -8.925 16.228 -8.727 1.00 0.00 C ATOM 538 C ALA A 53 -9.011 17.231 -7.576 1.00 0.00 C ATOM 539 O ALA A 53 -10.055 17.844 -7.359 1.00 0.00 O ATOM 540 CB ALA A 53 -9.849 15.025 -8.523 1.00 0.00 C ATOM 0 H ALA A 53 -7.340 14.908 -8.356 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.250 16.738 -9.634 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.878 15.370 -8.422 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -9.773 14.358 -9.382 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.555 14.490 -7.620 1.00 0.00 H new ATOM 546 N LYS A 54 -7.899 17.369 -6.868 1.00 0.00 N ATOM 547 CA LYS A 54 -7.836 18.288 -5.745 1.00 0.00 C ATOM 548 C LYS A 54 -7.264 19.626 -6.217 1.00 0.00 C ATOM 549 O LYS A 54 -7.528 20.665 -5.615 1.00 0.00 O ATOM 550 CB LYS A 54 -7.060 17.663 -4.584 1.00 0.00 C ATOM 551 CG LYS A 54 -6.962 18.632 -3.404 1.00 0.00 C ATOM 552 CD LYS A 54 -5.568 19.259 -3.324 1.00 0.00 C ATOM 553 CE LYS A 54 -5.369 19.983 -1.991 1.00 0.00 C ATOM 554 NZ LYS A 54 -5.727 21.413 -2.119 1.00 0.00 N ATOM 0 H LYS A 54 -7.035 16.859 -7.051 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.836 18.487 -5.360 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.553 16.745 -4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -6.059 17.388 -4.917 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -7.712 19.416 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.181 18.104 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.810 18.484 -3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.433 19.961 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.983 19.516 -1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.331 19.889 -1.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.586 21.889 -1.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.123 21.859 -2.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.724 21.497 -2.403 1.00 0.00 H new ATOM 567 N ARG A 55 -6.492 19.556 -7.291 1.00 0.00 N ATOM 568 CA ARG A 55 -5.880 20.749 -7.852 1.00 0.00 C ATOM 569 C ARG A 55 -6.670 21.228 -9.071 1.00 0.00 C ATOM 570 O ARG A 55 -7.077 22.387 -9.137 1.00 0.00 O ATOM 571 CB ARG A 55 -4.431 20.484 -8.263 1.00 0.00 C ATOM 572 CG ARG A 55 -3.752 21.769 -8.742 1.00 0.00 C ATOM 573 CD ARG A 55 -3.981 22.912 -7.750 1.00 0.00 C ATOM 574 NE ARG A 55 -5.142 23.725 -8.174 1.00 0.00 N ATOM 575 CZ ARG A 55 -5.118 24.603 -9.200 1.00 0.00 C ATOM 576 NH1 ARG A 55 -3.989 24.788 -9.916 1.00 0.00 N ATOM 577 NH2 ARG A 55 -6.215 25.277 -9.491 1.00 0.00 N ATOM 0 H ARG A 55 -6.276 18.692 -7.788 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.891 21.520 -7.082 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.880 20.070 -7.418 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.405 19.737 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.683 21.596 -8.863 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.143 22.048 -9.721 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -4.154 22.509 -6.752 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.090 23.538 -7.691 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.016 23.616 -7.659 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.146 24.263 -9.684 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -3.979 25.453 -10.689 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -7.064 25.131 -8.944 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -6.214 25.944 -10.263 1.00 0.00 H new ATOM 590 N GLN A 56 -6.863 20.311 -10.008 1.00 0.00 N ATOM 591 CA GLN A 56 -7.597 20.624 -11.222 1.00 0.00 C ATOM 592 C GLN A 56 -9.086 20.325 -11.035 1.00 0.00 C ATOM 593 O GLN A 56 -9.938 21.109 -11.451 1.00 0.00 O ATOM 594 CB GLN A 56 -7.030 19.859 -12.419 1.00 0.00 C ATOM 595 CG GLN A 56 -7.449 20.513 -13.737 1.00 0.00 C ATOM 596 CD GLN A 56 -8.971 20.648 -13.823 1.00 0.00 C ATOM 597 OE1 GLN A 56 -9.518 21.732 -13.946 1.00 0.00 O ATOM 598 NE2 GLN A 56 -9.622 19.491 -13.750 1.00 0.00 N ATOM 0 H GLN A 56 -6.524 19.351 -9.951 1.00 0.00 H new ATOM 0 HA GLN A 56 -7.483 21.689 -11.427 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.942 19.829 -12.354 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -7.379 18.827 -12.394 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.988 21.497 -13.822 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.085 19.917 -14.574 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.103 18.619 -13.647 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.641 19.475 -13.797 1.00 0.00 H new ATOM 607 N GLY A 57 -9.354 19.188 -10.409 1.00 0.00 N ATOM 608 CA GLY A 57 -10.725 18.775 -10.161 1.00 0.00 C ATOM 609 C GLY A 57 -11.569 19.949 -9.660 1.00 0.00 C ATOM 610 O GLY A 57 -12.788 19.957 -9.826 1.00 0.00 O ATOM 0 H GLY A 57 -8.645 18.540 -10.066 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.159 18.375 -11.077 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.739 17.972 -9.424 1.00 0.00 H new ATOM 614 N LYS A 58 -10.887 20.911 -9.055 1.00 0.00 N ATOM 615 CA LYS A 58 -11.559 22.086 -8.528 1.00 0.00 C ATOM 616 C LYS A 58 -12.418 22.713 -9.627 1.00 0.00 C ATOM 617 O LYS A 58 -13.585 23.031 -9.403 1.00 0.00 O ATOM 618 CB LYS A 58 -10.544 23.053 -7.914 1.00 0.00 C ATOM 619 CG LYS A 58 -10.498 22.906 -6.392 1.00 0.00 C ATOM 620 CD LYS A 58 -9.939 24.170 -5.735 1.00 0.00 C ATOM 621 CE LYS A 58 -10.121 24.125 -4.217 1.00 0.00 C ATOM 622 NZ LYS A 58 -9.988 25.481 -3.639 1.00 0.00 N ATOM 0 H LYS A 58 -9.876 20.900 -8.918 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.232 21.808 -7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.555 22.862 -8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.808 24.078 -8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.500 22.707 -6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -9.880 22.049 -6.124 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.881 24.271 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.443 25.048 -6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -11.101 23.714 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.379 23.460 -3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.114 25.433 -2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.044 25.859 -3.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.713 26.105 -4.048 1.00 0.00 H new ATOM 635 N GLU A 59 -11.809 22.872 -10.793 1.00 0.00 N ATOM 636 CA GLU A 59 -12.504 23.455 -11.928 1.00 0.00 C ATOM 637 C GLU A 59 -13.312 22.384 -12.663 1.00 0.00 C ATOM 638 O GLU A 59 -14.158 22.703 -13.497 1.00 0.00 O ATOM 639 CB GLU A 59 -11.522 24.148 -12.875 1.00 0.00 C ATOM 640 CG GLU A 59 -11.744 25.661 -12.884 1.00 0.00 C ATOM 641 CD GLU A 59 -10.733 26.369 -11.979 1.00 0.00 C ATOM 642 OE1 GLU A 59 -9.549 26.469 -12.332 1.00 0.00 O ATOM 643 OE2 GLU A 59 -11.217 26.825 -10.873 1.00 0.00 O ATOM 0 H GLU A 59 -10.841 22.607 -10.976 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.195 24.212 -11.557 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.499 23.929 -12.568 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.644 23.753 -13.884 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.653 26.039 -13.902 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -12.757 25.886 -12.549 1.00 0.00 H new ATOM 651 N MET A 60 -13.022 21.135 -12.327 1.00 0.00 N ATOM 652 CA MET A 60 -13.712 20.015 -12.945 1.00 0.00 C ATOM 653 C MET A 60 -13.960 20.277 -14.432 1.00 0.00 C ATOM 654 O MET A 60 -14.936 19.787 -14.997 1.00 0.00 O ATOM 655 CB MET A 60 -15.048 19.784 -12.237 1.00 0.00 C ATOM 656 CG MET A 60 -15.560 18.364 -12.482 1.00 0.00 C ATOM 657 SD MET A 60 -16.145 17.653 -10.952 1.00 0.00 S ATOM 658 CE MET A 60 -14.595 17.456 -10.089 1.00 0.00 C ATOM 0 H MET A 60 -12.319 20.874 -11.635 1.00 0.00 H new ATOM 0 HA MET A 60 -13.084 19.129 -12.851 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.930 19.952 -11.167 1.00 0.00 H new ATOM 0 HB3 MET A 60 -15.782 20.506 -12.594 1.00 0.00 H new ATOM 0 HG2 MET A 60 -16.365 18.381 -13.216 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.763 17.748 -12.897 1.00 0.00 H new ATOM 0 HE1 MET A 60 -14.522 16.440 -9.700 1.00 0.00 H new ATOM 0 HE2 MET A 60 -13.770 17.642 -10.776 1.00 0.00 H new ATOM 0 HE3 MET A 60 -14.546 18.165 -9.263 1.00 0.00 H new ATOM 668 N ASP A 61 -13.060 21.049 -15.023 1.00 0.00 N ATOM 669 CA ASP A 61 -13.169 21.382 -16.433 1.00 0.00 C ATOM 670 C ASP A 61 -12.240 20.473 -17.240 1.00 0.00 C ATOM 671 O ASP A 61 -12.298 20.454 -18.469 1.00 0.00 O ATOM 672 CB ASP A 61 -12.754 22.832 -16.690 1.00 0.00 C ATOM 673 CG ASP A 61 -13.912 23.802 -16.936 1.00 0.00 C ATOM 674 OD1 ASP A 61 -14.589 23.738 -17.972 1.00 0.00 O ATOM 675 OD2 ASP A 61 -14.110 24.663 -15.996 1.00 0.00 O ATOM 0 H ASP A 61 -12.252 21.454 -14.551 1.00 0.00 H new ATOM 0 HA ASP A 61 -14.208 21.246 -16.733 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.178 23.186 -15.835 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.090 22.856 -17.554 1.00 0.00 H new ATOM 681 N SER A 62 -11.404 19.743 -16.517 1.00 0.00 N ATOM 682 CA SER A 62 -10.463 18.834 -17.151 1.00 0.00 C ATOM 683 C SER A 62 -10.572 17.445 -16.520 1.00 0.00 C ATOM 684 O SER A 62 -10.553 17.311 -15.297 1.00 0.00 O ATOM 685 CB SER A 62 -9.030 19.358 -17.038 1.00 0.00 C ATOM 686 OG SER A 62 -8.777 20.422 -17.952 1.00 0.00 O ATOM 0 H SER A 62 -11.358 19.762 -15.498 1.00 0.00 H new ATOM 0 HA SER A 62 -10.713 18.766 -18.210 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.850 19.704 -16.020 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.330 18.544 -17.227 1.00 0.00 H new ATOM 0 HG SER A 62 -7.853 20.730 -17.848 1.00 0.00 H new ATOM 692 N LEU A 63 -10.682 16.445 -17.382 1.00 0.00 N ATOM 693 CA LEU A 63 -10.793 15.071 -16.925 1.00 0.00 C ATOM 694 C LEU A 63 -10.066 14.150 -17.907 1.00 0.00 C ATOM 695 O LEU A 63 -10.283 12.939 -17.905 1.00 0.00 O ATOM 696 CB LEU A 63 -12.260 14.697 -16.703 1.00 0.00 C ATOM 697 CG LEU A 63 -13.294 15.651 -17.304 1.00 0.00 C ATOM 698 CD1 LEU A 63 -14.494 14.881 -17.858 1.00 0.00 C ATOM 699 CD2 LEU A 63 -13.715 16.715 -16.287 1.00 0.00 C ATOM 0 H LEU A 63 -10.697 16.560 -18.395 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.307 14.952 -15.957 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.428 13.703 -17.118 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.438 14.629 -15.630 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.831 16.172 -18.142 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -15.214 15.583 -18.279 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.158 14.195 -18.636 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -14.966 14.316 -17.054 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.450 17.380 -16.740 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -14.152 16.231 -15.414 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.842 17.293 -15.982 1.00 0.00 H new ATOM 711 N ARG A 64 -9.218 14.760 -18.722 1.00 0.00 N ATOM 712 CA ARG A 64 -8.457 14.010 -19.707 1.00 0.00 C ATOM 713 C ARG A 64 -7.256 13.330 -19.046 1.00 0.00 C ATOM 714 O ARG A 64 -6.237 13.971 -18.794 1.00 0.00 O ATOM 715 CB ARG A 64 -7.963 14.922 -20.832 1.00 0.00 C ATOM 716 CG ARG A 64 -8.367 14.373 -22.201 1.00 0.00 C ATOM 717 CD ARG A 64 -7.171 13.737 -22.912 1.00 0.00 C ATOM 718 NE ARG A 64 -7.551 13.341 -24.287 1.00 0.00 N ATOM 719 CZ ARG A 64 -6.892 12.417 -25.018 1.00 0.00 C ATOM 720 NH1 ARG A 64 -5.813 11.785 -24.511 1.00 0.00 N ATOM 721 NH2 ARG A 64 -7.319 12.142 -26.237 1.00 0.00 N ATOM 0 H ARG A 64 -9.041 15.765 -18.721 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.118 13.254 -20.131 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.376 15.922 -20.701 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.878 15.015 -20.779 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.159 13.633 -22.081 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.773 15.178 -22.814 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.340 14.442 -22.944 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.828 12.865 -22.355 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.362 13.795 -24.708 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -5.490 12.004 -23.569 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -5.321 11.088 -25.070 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.135 12.625 -26.613 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -6.833 11.447 -26.803 1.00 0.00 H new ATOM 734 N PHE A 65 -7.417 12.041 -18.784 1.00 0.00 N ATOM 735 CA PHE A 65 -6.358 11.268 -18.157 1.00 0.00 C ATOM 736 C PHE A 65 -5.375 10.737 -19.202 1.00 0.00 C ATOM 737 O PHE A 65 -5.680 9.786 -19.920 1.00 0.00 O ATOM 738 CB PHE A 65 -7.026 10.084 -17.454 1.00 0.00 C ATOM 739 CG PHE A 65 -8.327 10.442 -16.732 1.00 0.00 C ATOM 740 CD1 PHE A 65 -8.297 11.244 -15.634 1.00 0.00 C ATOM 741 CD2 PHE A 65 -9.513 9.959 -17.189 1.00 0.00 C ATOM 742 CE1 PHE A 65 -9.504 11.577 -14.964 1.00 0.00 C ATOM 743 CE2 PHE A 65 -10.720 10.291 -16.519 1.00 0.00 C ATOM 744 CZ PHE A 65 -10.690 11.093 -15.421 1.00 0.00 C ATOM 0 H PHE A 65 -8.264 11.513 -18.994 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.802 11.895 -17.460 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.233 9.307 -18.190 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.327 9.661 -16.733 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.355 11.628 -15.271 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.537 9.323 -18.061 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.480 12.214 -14.092 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.662 9.907 -16.881 1.00 0.00 H new ATOM 0 HZ PHE A 65 -11.608 11.346 -14.912 1.00 0.00 H new ATOM 754 N LEU A 66 -4.214 11.374 -19.253 1.00 0.00 N ATOM 755 CA LEU A 66 -3.184 10.977 -20.198 1.00 0.00 C ATOM 756 C LEU A 66 -1.811 11.115 -19.537 1.00 0.00 C ATOM 757 O LEU A 66 -1.654 11.867 -18.576 1.00 0.00 O ATOM 758 CB LEU A 66 -3.320 11.766 -21.502 1.00 0.00 C ATOM 759 CG LEU A 66 -2.078 11.806 -22.394 1.00 0.00 C ATOM 760 CD1 LEU A 66 -2.456 12.105 -23.847 1.00 0.00 C ATOM 761 CD2 LEU A 66 -1.047 12.799 -21.854 1.00 0.00 C ATOM 0 H LEU A 66 -3.964 12.162 -18.655 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.303 9.929 -20.472 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.142 11.340 -22.077 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.600 12.790 -21.256 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.614 10.820 -22.378 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.555 12.128 -24.460 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.126 11.328 -24.216 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.956 13.072 -23.901 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.174 12.808 -22.507 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.485 13.796 -21.821 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.746 12.501 -20.850 1.00 0.00 H new ATOM 773 N TYR A 67 -0.853 10.376 -20.077 1.00 0.00 N ATOM 774 CA TYR A 67 0.501 10.406 -19.551 1.00 0.00 C ATOM 775 C TYR A 67 1.489 10.899 -20.610 1.00 0.00 C ATOM 776 O TYR A 67 2.483 11.548 -20.283 1.00 0.00 O ATOM 777 CB TYR A 67 0.844 8.961 -19.185 1.00 0.00 C ATOM 778 CG TYR A 67 2.342 8.699 -19.018 1.00 0.00 C ATOM 779 CD1 TYR A 67 3.167 8.686 -20.124 1.00 0.00 C ATOM 780 CD2 TYR A 67 2.868 8.477 -17.762 1.00 0.00 C ATOM 781 CE1 TYR A 67 4.577 8.440 -19.967 1.00 0.00 C ATOM 782 CE2 TYR A 67 4.278 8.231 -17.604 1.00 0.00 C ATOM 783 CZ TYR A 67 5.063 8.225 -18.715 1.00 0.00 C ATOM 784 OH TYR A 67 6.395 7.992 -18.566 1.00 0.00 O ATOM 0 H TYR A 67 -0.988 9.753 -20.873 1.00 0.00 H new ATOM 0 HA TYR A 67 0.566 11.080 -18.697 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.335 8.702 -18.257 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.454 8.299 -19.958 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.755 8.860 -21.107 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.222 8.488 -16.897 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.234 8.427 -20.824 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.702 8.055 -16.626 1.00 0.00 H new ATOM 0 HH TYR A 67 6.599 7.857 -17.617 1.00 0.00 H new ATOM 794 N ASP A 68 1.183 10.574 -21.857 1.00 0.00 N ATOM 795 CA ASP A 68 2.032 10.976 -22.966 1.00 0.00 C ATOM 796 C ASP A 68 1.159 11.507 -24.104 1.00 0.00 C ATOM 797 O ASP A 68 1.124 12.711 -24.355 1.00 0.00 O ATOM 798 CB ASP A 68 2.836 9.790 -23.501 1.00 0.00 C ATOM 799 CG ASP A 68 4.335 9.835 -23.197 1.00 0.00 C ATOM 800 OD1 ASP A 68 4.949 10.912 -23.167 1.00 0.00 O ATOM 801 OD2 ASP A 68 4.882 8.686 -22.980 1.00 0.00 O ATOM 0 H ASP A 68 0.358 10.036 -22.125 1.00 0.00 H new ATOM 0 HA ASP A 68 2.717 11.743 -22.606 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.423 8.872 -23.082 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.701 9.737 -24.581 1.00 0.00 H new ATOM 807 N GLY A 69 0.475 10.584 -24.764 1.00 0.00 N ATOM 808 CA GLY A 69 -0.396 10.944 -25.870 1.00 0.00 C ATOM 809 C GLY A 69 -1.290 9.769 -26.269 1.00 0.00 C ATOM 810 O GLY A 69 -1.451 9.482 -27.454 1.00 0.00 O ATOM 0 H GLY A 69 0.506 9.586 -24.554 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.014 11.796 -25.588 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.205 11.255 -26.725 1.00 0.00 H new ATOM 814 N ILE A 70 -1.849 9.121 -25.258 1.00 0.00 N ATOM 815 CA ILE A 70 -2.723 7.984 -25.488 1.00 0.00 C ATOM 816 C ILE A 70 -3.486 7.663 -24.202 1.00 0.00 C ATOM 817 O ILE A 70 -3.621 6.498 -23.830 1.00 0.00 O ATOM 818 CB ILE A 70 -1.927 6.800 -26.043 1.00 0.00 C ATOM 819 CG1 ILE A 70 -0.466 6.864 -25.594 1.00 0.00 C ATOM 820 CG2 ILE A 70 -2.056 6.718 -27.565 1.00 0.00 C ATOM 821 CD1 ILE A 70 -0.011 5.522 -25.016 1.00 0.00 C ATOM 0 H ILE A 70 -1.713 9.362 -24.276 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.467 8.223 -26.248 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.350 5.882 -25.635 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.167 7.133 -26.440 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.346 7.646 -24.845 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.481 5.868 -27.934 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.104 6.591 -27.835 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.674 7.636 -28.012 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.031 5.595 -24.704 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.630 5.268 -24.156 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.109 4.747 -25.776 1.00 0.00 H new ATOM 833 N ARG A 71 -3.966 8.717 -23.558 1.00 0.00 N ATOM 834 CA ARG A 71 -4.712 8.562 -22.320 1.00 0.00 C ATOM 835 C ARG A 71 -4.093 7.457 -21.462 1.00 0.00 C ATOM 836 O ARG A 71 -4.790 6.543 -21.024 1.00 0.00 O ATOM 837 CB ARG A 71 -6.177 8.222 -22.600 1.00 0.00 C ATOM 838 CG ARG A 71 -6.291 7.077 -23.609 1.00 0.00 C ATOM 839 CD ARG A 71 -7.753 6.678 -23.822 1.00 0.00 C ATOM 840 NE ARG A 71 -8.309 6.106 -22.576 1.00 0.00 N ATOM 841 CZ ARG A 71 -8.894 6.836 -21.603 1.00 0.00 C ATOM 842 NH1 ARG A 71 -9.005 8.176 -21.724 1.00 0.00 N ATOM 843 NH2 ARG A 71 -9.356 6.220 -20.531 1.00 0.00 N ATOM 0 H ARG A 71 -3.853 9.682 -23.870 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.667 9.510 -21.784 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.673 7.943 -21.671 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.691 9.103 -22.984 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.851 7.379 -24.559 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.723 6.217 -23.254 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.336 7.548 -24.124 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.826 5.950 -24.630 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.246 5.097 -22.444 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.645 8.645 -22.556 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.449 8.720 -20.984 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.268 5.207 -20.447 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.801 6.757 -19.786 1.00 0.00 H new ATOM 856 N ILE A 72 -2.791 7.577 -21.248 1.00 0.00 N ATOM 857 CA ILE A 72 -2.071 6.599 -20.450 1.00 0.00 C ATOM 858 C ILE A 72 -1.684 7.227 -19.109 1.00 0.00 C ATOM 859 O ILE A 72 -1.811 8.436 -18.926 1.00 0.00 O ATOM 860 CB ILE A 72 -0.881 6.040 -21.233 1.00 0.00 C ATOM 861 CG1 ILE A 72 -0.357 7.066 -22.240 1.00 0.00 C ATOM 862 CG2 ILE A 72 -1.241 4.712 -21.902 1.00 0.00 C ATOM 863 CD1 ILE A 72 1.040 6.685 -22.733 1.00 0.00 C ATOM 0 H ILE A 72 -2.216 8.336 -21.613 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.709 5.743 -20.230 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.073 5.838 -20.530 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.040 7.132 -23.087 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.327 8.053 -21.777 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.378 4.336 -22.452 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.530 3.988 -21.141 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.072 4.865 -22.591 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.389 7.430 -23.448 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.726 6.644 -21.887 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.002 5.709 -23.216 1.00 0.00 H new ATOM 875 N GLN A 73 -1.220 6.376 -18.206 1.00 0.00 N ATOM 876 CA GLN A 73 -0.814 6.832 -16.887 1.00 0.00 C ATOM 877 C GLN A 73 0.606 6.354 -16.574 1.00 0.00 C ATOM 878 O GLN A 73 1.205 5.620 -17.359 1.00 0.00 O ATOM 879 CB GLN A 73 -1.799 6.360 -15.817 1.00 0.00 C ATOM 880 CG GLN A 73 -3.055 7.234 -15.803 1.00 0.00 C ATOM 881 CD GLN A 73 -4.230 6.516 -16.469 1.00 0.00 C ATOM 882 OE1 GLN A 73 -4.789 5.567 -15.944 1.00 0.00 O ATOM 883 NE2 GLN A 73 -4.573 7.020 -17.652 1.00 0.00 N ATOM 0 H GLN A 73 -1.116 5.373 -18.361 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.819 7.922 -16.883 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.076 5.323 -16.005 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.320 6.390 -14.838 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.315 7.487 -14.775 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -2.856 8.172 -16.322 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -4.063 7.816 -18.034 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.346 6.610 -18.176 1.00 0.00 H new ATOM 892 N ALA A 74 1.103 6.791 -15.427 1.00 0.00 N ATOM 893 CA ALA A 74 2.441 6.417 -15.000 1.00 0.00 C ATOM 894 C ALA A 74 2.403 5.017 -14.385 1.00 0.00 C ATOM 895 O ALA A 74 2.429 4.019 -15.104 1.00 0.00 O ATOM 896 CB ALA A 74 2.979 7.467 -14.026 1.00 0.00 C ATOM 0 H ALA A 74 0.604 7.401 -14.780 1.00 0.00 H new ATOM 0 HA ALA A 74 3.120 6.385 -15.852 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.982 7.186 -13.706 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.014 8.438 -14.520 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.324 7.526 -13.157 1.00 0.00 H new ATOM 902 N ASP A 75 2.343 4.988 -13.062 1.00 0.00 N ATOM 903 CA ASP A 75 2.302 3.726 -12.342 1.00 0.00 C ATOM 904 C ASP A 75 0.848 3.374 -12.022 1.00 0.00 C ATOM 905 O ASP A 75 0.541 2.935 -10.915 1.00 0.00 O ATOM 906 CB ASP A 75 3.067 3.820 -11.021 1.00 0.00 C ATOM 907 CG ASP A 75 4.126 4.924 -10.964 1.00 0.00 C ATOM 908 OD1 ASP A 75 4.642 5.368 -12.001 1.00 0.00 O ATOM 909 OD2 ASP A 75 4.421 5.335 -9.778 1.00 0.00 O ATOM 0 H ASP A 75 2.322 5.818 -12.469 1.00 0.00 H new ATOM 0 HA ASP A 75 2.762 2.964 -12.971 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.351 3.982 -10.215 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.551 2.862 -10.830 1.00 0.00 H new ATOM 915 N GLN A 76 -0.009 3.580 -13.012 1.00 0.00 N ATOM 916 CA GLN A 76 -1.424 3.290 -12.849 1.00 0.00 C ATOM 917 C GLN A 76 -1.636 1.791 -12.630 1.00 0.00 C ATOM 918 O GLN A 76 -2.741 1.358 -12.305 1.00 0.00 O ATOM 919 CB GLN A 76 -2.227 3.788 -14.052 1.00 0.00 C ATOM 920 CG GLN A 76 -3.561 3.047 -14.165 1.00 0.00 C ATOM 921 CD GLN A 76 -3.373 1.675 -14.816 1.00 0.00 C ATOM 922 OE1 GLN A 76 -2.420 1.426 -15.536 1.00 0.00 O ATOM 923 NE2 GLN A 76 -4.333 0.802 -14.525 1.00 0.00 N ATOM 0 H GLN A 76 0.249 3.944 -13.929 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.785 3.820 -11.968 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.409 4.858 -13.955 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.649 3.644 -14.965 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.999 2.926 -13.174 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.262 3.640 -14.753 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.103 1.076 -13.915 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.299 -0.141 -14.912 1.00 0.00 H new ATOM 932 N THR A 77 -0.561 1.040 -12.815 1.00 0.00 N ATOM 933 CA THR A 77 -0.616 -0.402 -12.641 1.00 0.00 C ATOM 934 C THR A 77 -0.159 -0.787 -11.233 1.00 0.00 C ATOM 935 O THR A 77 0.713 -0.137 -10.659 1.00 0.00 O ATOM 936 CB THR A 77 0.223 -1.044 -13.748 1.00 0.00 C ATOM 937 OG1 THR A 77 0.090 -0.147 -14.848 1.00 0.00 O ATOM 938 CG2 THR A 77 -0.384 -2.352 -14.259 1.00 0.00 C ATOM 0 H THR A 77 0.354 1.403 -13.084 1.00 0.00 H new ATOM 0 HA THR A 77 -1.637 -0.772 -12.730 1.00 0.00 H new ATOM 0 HB THR A 77 1.231 -1.232 -13.377 1.00 0.00 H new ATOM 0 HG1 THR A 77 -0.848 0.121 -14.940 1.00 0.00 H new ATOM 0 HG21 THR A 77 0.250 -2.766 -15.043 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.457 -3.065 -13.437 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.379 -2.159 -14.661 1.00 0.00 H new ATOM 946 N PRO A 78 -0.786 -1.871 -10.702 1.00 0.00 N ATOM 947 CA PRO A 78 -0.454 -2.350 -9.371 1.00 0.00 C ATOM 948 C PRO A 78 0.888 -3.085 -9.372 1.00 0.00 C ATOM 949 O PRO A 78 1.501 -3.268 -8.322 1.00 0.00 O ATOM 950 CB PRO A 78 -1.618 -3.242 -8.972 1.00 0.00 C ATOM 951 CG PRO A 78 -2.332 -3.600 -10.266 1.00 0.00 C ATOM 952 CD PRO A 78 -1.825 -2.665 -11.352 1.00 0.00 C ATOM 0 HA PRO A 78 -0.325 -1.540 -8.653 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.266 -4.137 -8.460 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.289 -2.725 -8.286 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -2.137 -4.638 -10.535 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.411 -3.498 -10.148 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.426 -3.222 -12.200 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.625 -2.032 -11.735 1.00 0.00 H new ATOM 960 N GLU A 79 1.306 -3.485 -10.564 1.00 0.00 N ATOM 961 CA GLU A 79 2.565 -4.195 -10.716 1.00 0.00 C ATOM 962 C GLU A 79 3.714 -3.204 -10.911 1.00 0.00 C ATOM 963 O GLU A 79 4.879 -3.597 -10.944 1.00 0.00 O ATOM 964 CB GLU A 79 2.496 -5.190 -11.877 1.00 0.00 C ATOM 965 CG GLU A 79 3.040 -6.558 -11.459 1.00 0.00 C ATOM 966 CD GLU A 79 1.966 -7.640 -11.597 1.00 0.00 C ATOM 967 OE1 GLU A 79 0.767 -7.339 -11.500 1.00 0.00 O ATOM 968 OE2 GLU A 79 2.416 -8.829 -11.813 1.00 0.00 O ATOM 0 H GLU A 79 0.795 -3.331 -11.433 1.00 0.00 H new ATOM 0 HA GLU A 79 2.752 -4.762 -9.804 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.464 -5.292 -12.213 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.070 -4.809 -12.722 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.901 -6.815 -12.075 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.388 -6.515 -10.427 1.00 0.00 H new ATOM 976 N ASP A 80 3.345 -1.937 -11.035 1.00 0.00 N ATOM 977 CA ASP A 80 4.330 -0.886 -11.226 1.00 0.00 C ATOM 978 C ASP A 80 4.585 -0.183 -9.891 1.00 0.00 C ATOM 979 O ASP A 80 5.727 -0.084 -9.445 1.00 0.00 O ATOM 980 CB ASP A 80 3.832 0.161 -12.224 1.00 0.00 C ATOM 981 CG ASP A 80 4.895 0.694 -13.186 1.00 0.00 C ATOM 982 OD1 ASP A 80 5.066 0.176 -14.300 1.00 0.00 O ATOM 983 OD2 ASP A 80 5.574 1.699 -12.747 1.00 0.00 O ATOM 0 H ASP A 80 2.378 -1.615 -11.007 1.00 0.00 H new ATOM 0 HA ASP A 80 5.242 -1.344 -11.609 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.020 -0.273 -12.808 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.413 1.000 -11.669 1.00 0.00 H new ATOM 989 N LEU A 81 3.502 0.286 -9.290 1.00 0.00 N ATOM 990 CA LEU A 81 3.593 0.977 -8.014 1.00 0.00 C ATOM 991 C LEU A 81 4.374 0.109 -7.025 1.00 0.00 C ATOM 992 O LEU A 81 5.089 0.628 -6.168 1.00 0.00 O ATOM 993 CB LEU A 81 2.202 1.375 -7.519 1.00 0.00 C ATOM 994 CG LEU A 81 1.252 0.221 -7.190 1.00 0.00 C ATOM 995 CD1 LEU A 81 1.303 -0.124 -5.701 1.00 0.00 C ATOM 996 CD2 LEU A 81 -0.172 0.533 -7.657 1.00 0.00 C ATOM 0 H LEU A 81 2.556 0.201 -9.663 1.00 0.00 H new ATOM 0 HA LEU A 81 4.144 1.911 -8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.318 1.990 -6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.733 2.001 -8.278 1.00 0.00 H new ATOM 0 HG LEU A 81 1.585 -0.661 -7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.619 -0.947 -5.495 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.317 -0.419 -5.430 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.010 0.747 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.827 -0.303 -7.411 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.530 1.433 -7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.175 0.691 -8.735 1.00 0.00 H new ATOM 1008 N ASP A 82 4.210 -1.197 -7.175 1.00 0.00 N ATOM 1009 CA ASP A 82 4.890 -2.141 -6.305 1.00 0.00 C ATOM 1010 C ASP A 82 6.375 -2.190 -6.673 1.00 0.00 C ATOM 1011 O ASP A 82 7.213 -2.535 -5.842 1.00 0.00 O ATOM 1012 CB ASP A 82 4.317 -3.550 -6.466 1.00 0.00 C ATOM 1013 CG ASP A 82 4.042 -4.290 -5.155 1.00 0.00 C ATOM 1014 OD1 ASP A 82 3.086 -3.973 -4.431 1.00 0.00 O ATOM 1015 OD2 ASP A 82 4.868 -5.242 -4.883 1.00 0.00 O ATOM 0 H ASP A 82 3.616 -1.624 -7.886 1.00 0.00 H new ATOM 0 HA ASP A 82 4.751 -1.810 -5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 82 3.387 -3.485 -7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.012 -4.143 -7.061 1.00 0.00 H new ATOM 1021 N MET A 83 6.654 -1.839 -7.920 1.00 0.00 N ATOM 1022 CA MET A 83 8.022 -1.839 -8.409 1.00 0.00 C ATOM 1023 C MET A 83 8.596 -0.421 -8.430 1.00 0.00 C ATOM 1024 O MET A 83 9.406 -0.063 -7.576 1.00 0.00 O ATOM 1025 CB MET A 83 8.060 -2.426 -9.822 1.00 0.00 C ATOM 1026 CG MET A 83 7.428 -3.819 -9.854 1.00 0.00 C ATOM 1027 SD MET A 83 8.631 -5.046 -9.371 1.00 0.00 S ATOM 1028 CE MET A 83 8.657 -4.778 -7.607 1.00 0.00 C ATOM 0 H MET A 83 5.956 -1.553 -8.606 1.00 0.00 H new ATOM 0 HA MET A 83 8.628 -2.447 -7.737 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.529 -1.766 -10.508 1.00 0.00 H new ATOM 0 HB3 MET A 83 9.092 -2.483 -10.168 1.00 0.00 H new ATOM 0 HG2 MET A 83 6.571 -3.854 -9.182 1.00 0.00 H new ATOM 0 HG3 MET A 83 7.057 -4.036 -10.856 1.00 0.00 H new ATOM 0 HE1 MET A 83 8.945 -5.700 -7.103 1.00 0.00 H new ATOM 0 HE2 MET A 83 9.376 -3.994 -7.369 1.00 0.00 H new ATOM 0 HE3 MET A 83 7.665 -4.475 -7.270 1.00 0.00 H new ATOM 1038 N GLU A 84 8.154 0.348 -9.414 1.00 0.00 N ATOM 1039 CA GLU A 84 8.614 1.719 -9.557 1.00 0.00 C ATOM 1040 C GLU A 84 8.220 2.542 -8.329 1.00 0.00 C ATOM 1041 O GLU A 84 7.454 2.078 -7.486 1.00 0.00 O ATOM 1042 CB GLU A 84 8.068 2.350 -10.839 1.00 0.00 C ATOM 1043 CG GLU A 84 9.113 3.255 -11.494 1.00 0.00 C ATOM 1044 CD GLU A 84 9.812 2.537 -12.651 1.00 0.00 C ATOM 1045 OE1 GLU A 84 9.227 1.631 -13.262 1.00 0.00 O ATOM 1046 OE2 GLU A 84 11.006 2.951 -12.907 1.00 0.00 O ATOM 0 H GLU A 84 7.482 0.048 -10.120 1.00 0.00 H new ATOM 0 HA GLU A 84 9.701 1.711 -9.631 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.772 1.566 -11.537 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.173 2.928 -10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.634 4.163 -11.861 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.851 3.561 -10.752 1.00 0.00 H new ATOM 1054 N ASP A 85 8.761 3.750 -8.267 1.00 0.00 N ATOM 1055 CA ASP A 85 8.474 4.642 -7.157 1.00 0.00 C ATOM 1056 C ASP A 85 8.511 6.090 -7.649 1.00 0.00 C ATOM 1057 O ASP A 85 9.520 6.776 -7.497 1.00 0.00 O ATOM 1058 CB ASP A 85 9.518 4.493 -6.048 1.00 0.00 C ATOM 1059 CG ASP A 85 10.836 3.850 -6.482 1.00 0.00 C ATOM 1060 OD1 ASP A 85 11.813 4.545 -6.798 1.00 0.00 O ATOM 1061 OD2 ASP A 85 10.837 2.560 -6.489 1.00 0.00 O ATOM 0 H ASP A 85 9.397 4.132 -8.968 1.00 0.00 H new ATOM 0 HA ASP A 85 7.490 4.386 -6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.731 5.479 -5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 85 9.088 3.897 -5.243 1.00 0.00 H new ATOM 1067 N ASN A 86 7.397 6.512 -8.230 1.00 0.00 N ATOM 1068 CA ASN A 86 7.289 7.867 -8.745 1.00 0.00 C ATOM 1069 C ASN A 86 5.875 8.091 -9.285 1.00 0.00 C ATOM 1070 O ASN A 86 5.550 7.648 -10.386 1.00 0.00 O ATOM 1071 CB ASN A 86 8.276 8.100 -9.891 1.00 0.00 C ATOM 1072 CG ASN A 86 9.199 9.281 -9.588 1.00 0.00 C ATOM 1073 OD1 ASN A 86 8.785 10.313 -9.086 1.00 0.00 O ATOM 1074 ND2 ASN A 86 10.470 9.073 -9.919 1.00 0.00 N ATOM 0 H ASN A 86 6.562 5.940 -8.355 1.00 0.00 H new ATOM 0 HA ASN A 86 7.512 8.557 -7.931 1.00 0.00 H new ATOM 0 HB2 ASN A 86 8.871 7.201 -10.052 1.00 0.00 H new ATOM 0 HB3 ASN A 86 7.729 8.289 -10.814 1.00 0.00 H new ATOM 0 HD21 ASN A 86 11.165 9.801 -9.756 1.00 0.00 H new ATOM 0 HD22 ASN A 86 10.750 8.185 -10.336 1.00 0.00 H new ATOM 1081 N ASP A 87 5.073 8.778 -8.486 1.00 0.00 N ATOM 1082 CA ASP A 87 3.701 9.066 -8.870 1.00 0.00 C ATOM 1083 C ASP A 87 3.662 10.377 -9.658 1.00 0.00 C ATOM 1084 O ASP A 87 3.934 11.444 -9.110 1.00 0.00 O ATOM 1085 CB ASP A 87 2.807 9.228 -7.639 1.00 0.00 C ATOM 1086 CG ASP A 87 1.507 9.998 -7.881 1.00 0.00 C ATOM 1087 OD1 ASP A 87 1.520 11.129 -8.388 1.00 0.00 O ATOM 1088 OD2 ASP A 87 0.433 9.381 -7.520 1.00 0.00 O ATOM 0 H ASP A 87 5.346 9.144 -7.574 1.00 0.00 H new ATOM 0 HA ASP A 87 3.337 8.234 -9.473 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.559 8.238 -7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.375 9.738 -6.861 1.00 0.00 H new ATOM 1094 N ILE A 88 3.321 10.253 -10.933 1.00 0.00 N ATOM 1095 CA ILE A 88 3.242 11.415 -11.802 1.00 0.00 C ATOM 1096 C ILE A 88 2.376 11.079 -13.018 1.00 0.00 C ATOM 1097 O ILE A 88 2.572 10.047 -13.658 1.00 0.00 O ATOM 1098 CB ILE A 88 4.644 11.909 -12.164 1.00 0.00 C ATOM 1099 CG1 ILE A 88 4.871 11.857 -13.676 1.00 0.00 C ATOM 1100 CG2 ILE A 88 5.715 11.132 -11.396 1.00 0.00 C ATOM 1101 CD1 ILE A 88 5.080 10.417 -14.149 1.00 0.00 C ATOM 0 H ILE A 88 3.097 9.366 -11.384 1.00 0.00 H new ATOM 0 HA ILE A 88 2.760 12.245 -11.286 1.00 0.00 H new ATOM 0 HB ILE A 88 4.726 12.953 -11.862 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.015 12.292 -14.191 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.741 12.460 -13.938 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.702 11.503 -11.672 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.564 11.266 -10.325 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.644 10.073 -11.643 1.00 0.00 H new ATOM 0 HD11 ILE A 88 5.239 10.408 -15.227 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.951 9.993 -13.650 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.199 9.823 -13.907 1.00 0.00 H new ATOM 1113 N ILE A 89 1.436 11.970 -13.299 1.00 0.00 N ATOM 1114 CA ILE A 89 0.539 11.780 -14.427 1.00 0.00 C ATOM 1115 C ILE A 89 0.101 13.146 -14.959 1.00 0.00 C ATOM 1116 O ILE A 89 0.345 14.171 -14.324 1.00 0.00 O ATOM 1117 CB ILE A 89 -0.626 10.869 -14.037 1.00 0.00 C ATOM 1118 CG1 ILE A 89 -0.184 9.818 -13.018 1.00 0.00 C ATOM 1119 CG2 ILE A 89 -1.264 10.235 -15.275 1.00 0.00 C ATOM 1120 CD1 ILE A 89 -1.373 8.984 -12.538 1.00 0.00 C ATOM 0 H ILE A 89 1.276 12.825 -12.766 1.00 0.00 H new ATOM 0 HA ILE A 89 1.053 11.270 -15.242 1.00 0.00 H new ATOM 0 HB ILE A 89 -1.391 11.480 -13.557 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.565 9.165 -13.466 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.288 10.308 -12.167 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -2.090 9.592 -14.970 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -1.639 11.019 -15.933 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.519 9.642 -15.805 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.030 8.245 -11.814 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.109 9.637 -12.069 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -1.828 8.476 -13.388 1.00 0.00 H new ATOM 1132 N GLU A 90 -0.538 13.116 -16.119 1.00 0.00 N ATOM 1133 CA GLU A 90 -1.013 14.339 -16.744 1.00 0.00 C ATOM 1134 C GLU A 90 -2.537 14.310 -16.878 1.00 0.00 C ATOM 1135 O GLU A 90 -3.095 13.380 -17.457 1.00 0.00 O ATOM 1136 CB GLU A 90 -0.347 14.554 -18.104 1.00 0.00 C ATOM 1137 CG GLU A 90 -1.019 15.696 -18.870 1.00 0.00 C ATOM 1138 CD GLU A 90 -0.005 16.781 -19.238 1.00 0.00 C ATOM 1139 OE1 GLU A 90 1.170 16.472 -19.487 1.00 0.00 O ATOM 1140 OE2 GLU A 90 -0.476 17.982 -19.261 1.00 0.00 O ATOM 0 H GLU A 90 -0.738 12.264 -16.643 1.00 0.00 H new ATOM 0 HA GLU A 90 -0.740 15.179 -16.106 1.00 0.00 H new ATOM 0 HB2 GLU A 90 0.710 14.778 -17.964 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -0.403 13.636 -18.689 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -1.485 15.307 -19.775 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.814 16.128 -18.262 1.00 0.00 H new ATOM 1148 N ALA A 91 -3.167 15.340 -16.332 1.00 0.00 N ATOM 1149 CA ALA A 91 -4.615 15.444 -16.384 1.00 0.00 C ATOM 1150 C ALA A 91 -5.007 16.581 -17.330 1.00 0.00 C ATOM 1151 O ALA A 91 -5.116 17.732 -16.912 1.00 0.00 O ATOM 1152 CB ALA A 91 -5.163 15.648 -14.970 1.00 0.00 C ATOM 0 H ALA A 91 -2.701 16.110 -15.852 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.052 14.525 -16.774 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -6.250 15.726 -15.009 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.882 14.800 -14.345 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.748 16.563 -14.548 1.00 0.00 H new ATOM 1158 N HIS A 92 -5.208 16.217 -18.588 1.00 0.00 N ATOM 1159 CA HIS A 92 -5.586 17.191 -19.598 1.00 0.00 C ATOM 1160 C HIS A 92 -7.079 17.504 -19.477 1.00 0.00 C ATOM 1161 O HIS A 92 -7.760 16.967 -18.605 1.00 0.00 O ATOM 1162 CB HIS A 92 -5.193 16.707 -20.995 1.00 0.00 C ATOM 1163 CG HIS A 92 -4.037 17.464 -21.605 1.00 0.00 C ATOM 1164 ND1 HIS A 92 -2.873 16.844 -22.025 1.00 0.00 N ATOM 1165 CD2 HIS A 92 -3.880 18.794 -21.862 1.00 0.00 C ATOM 1166 CE1 HIS A 92 -2.058 17.769 -22.510 1.00 0.00 C ATOM 1167 NE2 HIS A 92 -2.684 18.977 -22.408 1.00 0.00 N ATOM 0 H HIS A 92 -5.116 15.261 -18.931 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.041 18.120 -19.433 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.934 15.650 -20.942 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -6.057 16.791 -21.654 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -4.606 19.567 -21.656 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -1.072 17.597 -22.915 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -2.297 19.873 -22.703 1.00 0.00 H new ATOM 1175 N ARG A 93 -7.543 18.371 -20.364 1.00 0.00 N ATOM 1176 CA ARG A 93 -8.943 18.761 -20.368 1.00 0.00 C ATOM 1177 C ARG A 93 -9.774 17.750 -21.162 1.00 0.00 C ATOM 1178 O ARG A 93 -9.310 17.213 -22.166 1.00 0.00 O ATOM 1179 CB ARG A 93 -9.125 20.152 -20.978 1.00 0.00 C ATOM 1180 CG ARG A 93 -8.763 20.150 -22.465 1.00 0.00 C ATOM 1181 CD ARG A 93 -9.896 19.556 -23.305 1.00 0.00 C ATOM 1182 NE ARG A 93 -10.323 20.527 -24.337 1.00 0.00 N ATOM 1183 CZ ARG A 93 -11.400 20.360 -25.134 1.00 0.00 C ATOM 1184 NH1 ARG A 93 -12.169 19.256 -25.023 1.00 0.00 N ATOM 1185 NH2 ARG A 93 -11.689 21.292 -26.023 1.00 0.00 N ATOM 0 H ARG A 93 -6.975 18.815 -21.085 1.00 0.00 H new ATOM 0 HA ARG A 93 -9.284 18.783 -19.333 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -10.158 20.476 -20.852 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.499 20.870 -20.448 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -8.557 21.169 -22.794 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.850 19.574 -22.620 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -9.563 18.632 -23.778 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.739 19.300 -22.664 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.769 21.375 -24.453 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -11.938 18.541 -24.333 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.981 19.137 -25.629 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.102 22.123 -26.100 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.499 21.181 -26.633 1.00 0.00 H new ATOM 1198 N GLU A 94 -10.987 17.522 -20.680 1.00 0.00 N ATOM 1199 CA GLU A 94 -11.886 16.585 -21.332 1.00 0.00 C ATOM 1200 C GLU A 94 -13.336 16.882 -20.942 1.00 0.00 C ATOM 1201 O GLU A 94 -13.900 16.210 -20.080 1.00 0.00 O ATOM 1202 CB GLU A 94 -11.512 15.140 -20.995 1.00 0.00 C ATOM 1203 CG GLU A 94 -12.384 14.152 -21.773 1.00 0.00 C ATOM 1204 CD GLU A 94 -11.676 12.805 -21.933 1.00 0.00 C ATOM 1205 OE1 GLU A 94 -11.217 12.225 -20.938 1.00 0.00 O ATOM 1206 OE2 GLU A 94 -11.613 12.363 -23.143 1.00 0.00 O ATOM 0 H GLU A 94 -11.368 17.970 -19.846 1.00 0.00 H new ATOM 0 HA GLU A 94 -11.788 16.708 -22.411 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.462 14.968 -21.231 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.630 14.970 -19.925 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.331 14.010 -21.253 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.618 14.563 -22.755 1.00 0.00 H new ATOM 1214 N GLN A 95 -13.896 17.889 -21.595 1.00 0.00 N ATOM 1215 CA GLN A 95 -15.269 18.283 -21.327 1.00 0.00 C ATOM 1216 C GLN A 95 -15.838 19.066 -22.512 1.00 0.00 C ATOM 1217 O GLN A 95 -15.312 20.117 -22.877 1.00 0.00 O ATOM 1218 CB GLN A 95 -15.363 19.099 -20.036 1.00 0.00 C ATOM 1219 CG GLN A 95 -16.728 19.780 -19.916 1.00 0.00 C ATOM 1220 CD GLN A 95 -16.605 21.293 -20.111 1.00 0.00 C ATOM 1221 OE1 GLN A 95 -16.355 21.786 -21.198 1.00 0.00 O ATOM 1222 NE2 GLN A 95 -16.793 21.998 -18.999 1.00 0.00 N ATOM 0 H GLN A 95 -13.424 18.444 -22.309 1.00 0.00 H new ATOM 0 HA GLN A 95 -15.865 17.381 -21.193 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -15.201 18.448 -19.177 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.574 19.851 -20.019 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -17.410 19.368 -20.659 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -17.159 19.570 -18.937 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -16.999 21.521 -18.121 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -16.731 23.016 -19.024 1.00 0.00 H new ATOM 1231 N ILE A 96 -16.904 18.524 -23.081 1.00 0.00 N ATOM 1232 CA ILE A 96 -17.550 19.158 -24.218 1.00 0.00 C ATOM 1233 C ILE A 96 -18.770 19.943 -23.733 1.00 0.00 C ATOM 1234 O ILE A 96 -19.880 19.413 -23.699 1.00 0.00 O ATOM 1235 CB ILE A 96 -17.873 18.122 -25.297 1.00 0.00 C ATOM 1236 CG1 ILE A 96 -16.794 17.039 -25.359 1.00 0.00 C ATOM 1237 CG2 ILE A 96 -18.089 18.794 -26.655 1.00 0.00 C ATOM 1238 CD1 ILE A 96 -15.446 17.631 -25.774 1.00 0.00 C ATOM 0 H ILE A 96 -17.337 17.652 -22.776 1.00 0.00 H new ATOM 0 HA ILE A 96 -16.877 19.874 -24.689 1.00 0.00 H new ATOM 0 HB ILE A 96 -18.808 17.630 -25.028 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -16.700 16.558 -24.385 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -17.090 16.266 -26.069 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -18.317 18.036 -27.404 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -18.920 19.496 -26.585 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -17.184 19.329 -26.944 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -14.697 16.840 -25.810 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -15.538 18.089 -26.759 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -15.142 18.386 -25.049 1.00 0.00 H new TER 1250 ILE A 96