USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 451 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 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc=-0.00366 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0.315 K(o=0.32,f=-0.72) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0166 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0869 USER MOD Single : A 28 GLN : amide:sc= -1.05 K(o=-1,f=-3.4!) USER MOD Single : A 30 THR OG1 : rot 87:sc= 0.186 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.988 K(o=0.99,f=-0.019) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 149:sc= 1.3 USER MOD Single : A 59 ASN : amide:sc= 0.12 X(o=0.12,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.378 X(o=-0.38,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.241 2.381 0.004 1.00 0.00 N ATOM 2 CA MET A 1 -27.832 2.493 -1.407 1.00 0.00 C ATOM 3 C MET A 1 -26.827 3.634 -1.516 1.00 0.00 C ATOM 4 O MET A 1 -27.148 4.685 -2.065 1.00 0.00 O ATOM 5 CB MET A 1 -29.034 2.688 -2.351 1.00 0.00 C ATOM 6 CG MET A 1 -29.789 1.386 -2.625 1.00 0.00 C ATOM 7 SD MET A 1 -31.114 1.591 -3.844 1.00 0.00 S ATOM 8 CE MET A 1 -31.738 -0.108 -3.913 1.00 0.00 C ATOM 0 H1 MET A 1 -28.929 1.607 0.106 1.00 0.00 H new ATOM 0 H2 MET A 1 -27.407 2.182 0.593 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.677 3.274 0.311 1.00 0.00 H new ATOM 0 HA MET A 1 -27.367 1.560 -1.726 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.719 3.415 -1.915 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.685 3.106 -3.295 1.00 0.00 H new ATOM 0 HG2 MET A 1 -29.087 0.631 -2.980 1.00 0.00 H new ATOM 0 HG3 MET A 1 -30.213 1.013 -1.693 1.00 0.00 H new ATOM 0 HE1 MET A 1 -32.564 -0.164 -4.622 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.939 -0.776 -4.234 1.00 0.00 H new ATOM 0 HE3 MET A 1 -32.087 -0.408 -2.925 1.00 0.00 H new ATOM 18 N GLU A 2 -25.628 3.467 -0.956 1.00 0.00 N ATOM 19 CA GLU A 2 -24.575 4.459 -0.977 1.00 0.00 C ATOM 20 C GLU A 2 -23.251 3.711 -0.898 1.00 0.00 C ATOM 21 O GLU A 2 -23.092 2.797 -0.085 1.00 0.00 O ATOM 22 CB GLU A 2 -24.650 5.383 0.251 1.00 0.00 C ATOM 23 CG GLU A 2 -25.927 6.216 0.447 1.00 0.00 C ATOM 24 CD GLU A 2 -25.854 7.060 1.726 1.00 0.00 C ATOM 25 OE1 GLU A 2 -24.734 7.455 2.132 1.00 0.00 O ATOM 26 OE2 GLU A 2 -26.911 7.345 2.331 1.00 0.00 O ATOM 0 H GLU A 2 -25.365 2.613 -0.465 1.00 0.00 H new ATOM 0 HA GLU A 2 -24.672 5.061 -1.880 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -24.512 4.769 1.141 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -23.806 6.071 0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -26.073 6.869 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -26.791 5.554 0.495 1.00 0.00 H new ATOM 33 N GLU A 3 -22.287 4.130 -1.701 1.00 0.00 N ATOM 34 CA GLU A 3 -20.951 3.563 -1.760 1.00 0.00 C ATOM 35 C GLU A 3 -19.958 4.521 -1.095 1.00 0.00 C ATOM 36 O GLU A 3 -20.285 5.664 -0.751 1.00 0.00 O ATOM 37 CB GLU A 3 -20.577 3.326 -3.225 1.00 0.00 C ATOM 38 CG GLU A 3 -21.402 2.214 -3.873 1.00 0.00 C ATOM 39 CD GLU A 3 -22.881 2.540 -4.079 1.00 0.00 C ATOM 40 OE1 GLU A 3 -23.202 3.541 -4.749 1.00 0.00 O ATOM 41 OE2 GLU A 3 -23.734 1.737 -3.628 1.00 0.00 O ATOM 0 H GLU A 3 -22.419 4.903 -2.353 1.00 0.00 H new ATOM 0 HA GLU A 3 -20.921 2.612 -1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -20.717 4.250 -3.785 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -19.519 3.072 -3.289 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -20.961 1.972 -4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -21.326 1.319 -3.255 1.00 0.00 H new ATOM 48 N VAL A 4 -18.735 4.050 -0.886 1.00 0.00 N ATOM 49 CA VAL A 4 -17.625 4.774 -0.291 1.00 0.00 C ATOM 50 C VAL A 4 -16.400 4.538 -1.184 1.00 0.00 C ATOM 51 O VAL A 4 -16.432 3.670 -2.061 1.00 0.00 O ATOM 52 CB VAL A 4 -17.432 4.365 1.187 1.00 0.00 C ATOM 53 CG1 VAL A 4 -18.676 4.653 2.043 1.00 0.00 C ATOM 54 CG2 VAL A 4 -17.037 2.889 1.378 1.00 0.00 C ATOM 0 H VAL A 4 -18.479 3.097 -1.143 1.00 0.00 H new ATOM 0 HA VAL A 4 -17.811 5.847 -0.250 1.00 0.00 H new ATOM 0 HB VAL A 4 -16.602 4.986 1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -18.488 4.347 3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -18.897 5.720 2.016 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -19.526 4.096 1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -16.920 2.678 2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -17.815 2.248 0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -16.096 2.695 0.864 1.00 0.00 H new ATOM 64 N THR A 5 -15.313 5.267 -0.941 1.00 0.00 N ATOM 65 CA THR A 5 -14.084 5.151 -1.711 1.00 0.00 C ATOM 66 C THR A 5 -12.916 5.050 -0.742 1.00 0.00 C ATOM 67 O THR A 5 -12.909 5.724 0.292 1.00 0.00 O ATOM 68 CB THR A 5 -13.911 6.367 -2.639 1.00 0.00 C ATOM 69 OG1 THR A 5 -15.094 6.632 -3.364 1.00 0.00 O ATOM 70 CG2 THR A 5 -12.762 6.153 -3.633 1.00 0.00 C ATOM 0 H THR A 5 -15.264 5.961 -0.195 1.00 0.00 H new ATOM 0 HA THR A 5 -14.124 4.259 -2.337 1.00 0.00 H new ATOM 0 HB THR A 5 -13.680 7.218 -1.998 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.955 7.410 -3.943 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.667 7.030 -4.273 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.832 6.000 -3.086 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.970 5.277 -4.247 1.00 0.00 H new ATOM 78 N ILE A 6 -11.942 4.199 -1.052 1.00 0.00 N ATOM 79 CA ILE A 6 -10.750 4.009 -0.239 1.00 0.00 C ATOM 80 C ILE A 6 -9.554 4.347 -1.115 1.00 0.00 C ATOM 81 O ILE A 6 -9.361 3.718 -2.157 1.00 0.00 O ATOM 82 CB ILE A 6 -10.662 2.592 0.364 1.00 0.00 C ATOM 83 CG1 ILE A 6 -11.901 2.333 1.248 1.00 0.00 C ATOM 84 CG2 ILE A 6 -9.348 2.450 1.159 1.00 0.00 C ATOM 85 CD1 ILE A 6 -11.834 1.055 2.077 1.00 0.00 C ATOM 0 H ILE A 6 -11.961 3.615 -1.888 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.779 4.669 0.628 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.653 1.843 -0.428 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.034 3.180 1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -12.784 2.291 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.287 1.448 1.585 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.501 2.614 0.493 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.327 3.187 1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.746 0.955 2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.735 0.196 1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.974 1.099 2.745 1.00 0.00 H new ATOM 97 N LYS A 7 -8.786 5.368 -0.729 1.00 0.00 N ATOM 98 CA LYS A 7 -7.595 5.780 -1.456 1.00 0.00 C ATOM 99 C LYS A 7 -6.429 5.045 -0.823 1.00 0.00 C ATOM 100 O LYS A 7 -6.112 5.292 0.342 1.00 0.00 O ATOM 101 CB LYS A 7 -7.393 7.298 -1.395 1.00 0.00 C ATOM 102 CG LYS A 7 -6.259 7.700 -2.352 1.00 0.00 C ATOM 103 CD LYS A 7 -5.918 9.186 -2.250 1.00 0.00 C ATOM 104 CE LYS A 7 -4.824 9.447 -1.206 1.00 0.00 C ATOM 105 NZ LYS A 7 -4.792 10.862 -0.782 1.00 0.00 N ATOM 0 H LYS A 7 -8.978 5.931 0.100 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.686 5.534 -2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.315 7.810 -1.670 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.150 7.603 -0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.371 7.109 -2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.549 7.465 -3.376 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.588 9.551 -3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.814 9.748 -1.986 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.993 8.811 -0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.854 9.170 -1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.040 10.996 -0.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.605 11.467 -1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.709 11.120 -0.364 1.00 0.00 H new ATOM 119 N ALA A 8 -5.831 4.109 -1.547 1.00 0.00 N ATOM 120 CA ALA A 8 -4.705 3.343 -1.062 1.00 0.00 C ATOM 121 C ALA A 8 -3.437 3.890 -1.695 1.00 0.00 C ATOM 122 O ALA A 8 -3.251 3.867 -2.914 1.00 0.00 O ATOM 123 CB ALA A 8 -4.897 1.855 -1.330 1.00 0.00 C ATOM 0 H ALA A 8 -6.120 3.863 -2.494 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.623 3.444 0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.035 1.304 -0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.798 1.508 -0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.995 1.688 -2.403 1.00 0.00 H new ATOM 129 N ASN A 9 -2.619 4.492 -0.847 1.00 0.00 N ATOM 130 CA ASN A 9 -1.338 5.064 -1.195 1.00 0.00 C ATOM 131 C ASN A 9 -0.365 3.897 -1.123 1.00 0.00 C ATOM 132 O ASN A 9 -0.349 3.197 -0.109 1.00 0.00 O ATOM 133 CB ASN A 9 -0.907 6.077 -0.138 1.00 0.00 C ATOM 134 CG ASN A 9 -1.777 7.319 -0.080 1.00 0.00 C ATOM 135 OD1 ASN A 9 -1.587 8.258 -0.846 1.00 0.00 O ATOM 136 ND2 ASN A 9 -2.734 7.347 0.835 1.00 0.00 N ATOM 0 H ASN A 9 -2.843 4.597 0.142 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.373 5.558 -2.166 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.917 5.593 0.839 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.122 6.376 -0.335 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.338 8.165 0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.868 6.550 1.458 1.00 0.00 H new ATOM 143 N LEU A 10 0.443 3.671 -2.151 1.00 0.00 N ATOM 144 CA LEU A 10 1.416 2.594 -2.201 1.00 0.00 C ATOM 145 C LEU A 10 2.773 3.258 -2.369 1.00 0.00 C ATOM 146 O LEU A 10 3.014 3.947 -3.364 1.00 0.00 O ATOM 147 CB LEU A 10 1.042 1.625 -3.328 1.00 0.00 C ATOM 148 CG LEU A 10 -0.215 0.811 -2.932 1.00 0.00 C ATOM 149 CD1 LEU A 10 -1.314 0.940 -3.980 1.00 0.00 C ATOM 150 CD2 LEU A 10 0.123 -0.660 -2.712 1.00 0.00 C ATOM 0 H LEU A 10 0.438 4.247 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 10 1.440 1.986 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.852 2.179 -4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.874 0.950 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.581 1.227 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.182 0.357 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.598 1.987 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.949 0.568 -4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.780 -1.203 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.533 -1.081 -3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.859 -0.749 -1.913 1.00 0.00 H new ATOM 162 N ILE A 11 3.664 3.044 -1.405 1.00 0.00 N ATOM 163 CA ILE A 11 5.004 3.608 -1.353 1.00 0.00 C ATOM 164 C ILE A 11 6.018 2.465 -1.476 1.00 0.00 C ATOM 165 O ILE A 11 6.243 1.715 -0.523 1.00 0.00 O ATOM 166 CB ILE A 11 5.158 4.449 -0.060 1.00 0.00 C ATOM 167 CG1 ILE A 11 3.972 5.425 0.159 1.00 0.00 C ATOM 168 CG2 ILE A 11 6.482 5.226 -0.126 1.00 0.00 C ATOM 169 CD1 ILE A 11 4.065 6.251 1.446 1.00 0.00 C ATOM 0 H ILE A 11 3.460 2.446 -0.604 1.00 0.00 H new ATOM 0 HA ILE A 11 5.189 4.290 -2.183 1.00 0.00 H new ATOM 0 HB ILE A 11 5.160 3.766 0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.914 6.104 -0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.044 4.853 0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.600 5.821 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.312 4.524 -0.210 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.475 5.884 -0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.197 6.906 1.521 1.00 0.00 H new ATOM 0 HD12 ILE A 11 4.090 5.582 2.306 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.974 6.853 1.427 1.00 0.00 H new ATOM 181 N PHE A 12 6.575 2.282 -2.675 1.00 0.00 N ATOM 182 CA PHE A 12 7.565 1.248 -2.959 1.00 0.00 C ATOM 183 C PHE A 12 8.896 1.607 -2.287 1.00 0.00 C ATOM 184 O PHE A 12 9.177 2.782 -2.035 1.00 0.00 O ATOM 185 CB PHE A 12 7.745 1.119 -4.488 1.00 0.00 C ATOM 186 CG PHE A 12 6.497 0.744 -5.279 1.00 0.00 C ATOM 187 CD1 PHE A 12 5.615 -0.238 -4.792 1.00 0.00 C ATOM 188 CD2 PHE A 12 6.199 1.386 -6.500 1.00 0.00 C ATOM 189 CE1 PHE A 12 4.419 -0.522 -5.470 1.00 0.00 C ATOM 190 CE2 PHE A 12 4.996 1.110 -7.176 1.00 0.00 C ATOM 191 CZ PHE A 12 4.098 0.164 -6.654 1.00 0.00 C ATOM 0 H PHE A 12 6.346 2.857 -3.485 1.00 0.00 H new ATOM 0 HA PHE A 12 7.224 0.292 -2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.122 2.067 -4.871 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.512 0.369 -4.681 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.860 -0.778 -3.889 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.899 2.094 -6.918 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.744 -1.270 -5.081 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.763 1.625 -8.096 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.165 -0.035 -7.160 1.00 0.00 H new ATOM 201 N ALA A 13 9.722 0.606 -1.981 1.00 0.00 N ATOM 202 CA ALA A 13 11.039 0.774 -1.369 1.00 0.00 C ATOM 203 C ALA A 13 12.015 1.374 -2.395 1.00 0.00 C ATOM 204 O ALA A 13 13.016 1.989 -2.025 1.00 0.00 O ATOM 205 CB ALA A 13 11.555 -0.587 -0.888 1.00 0.00 C ATOM 0 H ALA A 13 9.486 -0.371 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 13 10.961 1.450 -0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 13 12.537 -0.463 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.863 -1.000 -0.154 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.632 -1.267 -1.736 1.00 0.00 H new ATOM 211 N ASN A 14 11.702 1.239 -3.690 1.00 0.00 N ATOM 212 CA ASN A 14 12.502 1.737 -4.806 1.00 0.00 C ATOM 213 C ASN A 14 12.651 3.266 -4.807 1.00 0.00 C ATOM 214 O ASN A 14 13.595 3.760 -5.423 1.00 0.00 O ATOM 215 CB ASN A 14 11.900 1.273 -6.149 1.00 0.00 C ATOM 216 CG ASN A 14 12.268 -0.158 -6.495 1.00 0.00 C ATOM 217 OD1 ASN A 14 13.447 -0.457 -6.687 1.00 0.00 O ATOM 218 ND2 ASN A 14 11.308 -1.049 -6.646 1.00 0.00 N ATOM 0 H ASN A 14 10.854 0.762 -3.996 1.00 0.00 H new ATOM 0 HA ASN A 14 13.500 1.317 -4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.815 1.364 -6.106 1.00 0.00 H new ATOM 0 HB3 ASN A 14 12.244 1.934 -6.944 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.537 -2.003 -6.926 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.336 -0.785 -6.483 1.00 0.00 H new ATOM 225 N GLY A 15 11.750 4.014 -4.156 1.00 0.00 N ATOM 226 CA GLY A 15 11.781 5.478 -4.077 1.00 0.00 C ATOM 227 C GLY A 15 10.553 6.142 -4.710 1.00 0.00 C ATOM 228 O GLY A 15 10.202 7.270 -4.343 1.00 0.00 O ATOM 0 H GLY A 15 10.959 3.606 -3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.850 5.778 -3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.680 5.843 -4.573 1.00 0.00 H new ATOM 232 N SER A 16 9.863 5.437 -5.610 1.00 0.00 N ATOM 233 CA SER A 16 8.671 5.902 -6.306 1.00 0.00 C ATOM 234 C SER A 16 7.482 5.995 -5.332 1.00 0.00 C ATOM 235 O SER A 16 7.598 5.716 -4.132 1.00 0.00 O ATOM 236 CB SER A 16 8.416 4.960 -7.499 1.00 0.00 C ATOM 237 OG SER A 16 7.414 5.432 -8.375 1.00 0.00 O ATOM 0 H SER A 16 10.133 4.491 -5.881 1.00 0.00 H new ATOM 0 HA SER A 16 8.809 6.910 -6.696 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.344 4.829 -8.055 1.00 0.00 H new ATOM 0 HB3 SER A 16 8.128 3.978 -7.123 1.00 0.00 H new ATOM 0 HG SER A 16 7.297 4.796 -9.111 1.00 0.00 H new ATOM 243 N THR A 17 6.355 6.467 -5.851 1.00 0.00 N ATOM 244 CA THR A 17 5.084 6.651 -5.165 1.00 0.00 C ATOM 245 C THR A 17 3.985 6.349 -6.182 1.00 0.00 C ATOM 246 O THR A 17 4.156 6.619 -7.376 1.00 0.00 O ATOM 247 CB THR A 17 4.959 8.079 -4.594 1.00 0.00 C ATOM 248 OG1 THR A 17 5.762 9.012 -5.297 1.00 0.00 O ATOM 249 CG2 THR A 17 5.374 8.121 -3.123 1.00 0.00 C ATOM 0 H THR A 17 6.303 6.750 -6.829 1.00 0.00 H new ATOM 0 HA THR A 17 5.003 5.980 -4.310 1.00 0.00 H new ATOM 0 HB THR A 17 3.910 8.353 -4.704 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.650 9.902 -4.903 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.276 9.139 -2.746 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.732 7.457 -2.545 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.410 7.797 -3.028 1.00 0.00 H new ATOM 257 N GLN A 18 2.857 5.805 -5.728 1.00 0.00 N ATOM 258 CA GLN A 18 1.727 5.459 -6.572 1.00 0.00 C ATOM 259 C GLN A 18 0.457 5.555 -5.718 1.00 0.00 C ATOM 260 O GLN A 18 0.513 5.302 -4.508 1.00 0.00 O ATOM 261 CB GLN A 18 1.963 4.050 -7.155 1.00 0.00 C ATOM 262 CG GLN A 18 1.269 3.896 -8.511 1.00 0.00 C ATOM 263 CD GLN A 18 1.620 2.576 -9.194 1.00 0.00 C ATOM 264 OE1 GLN A 18 2.741 2.379 -9.656 1.00 0.00 O ATOM 265 NE2 GLN A 18 0.684 1.654 -9.319 1.00 0.00 N ATOM 0 H GLN A 18 2.705 5.590 -4.742 1.00 0.00 H new ATOM 0 HA GLN A 18 1.613 6.139 -7.416 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.033 3.873 -7.267 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.587 3.298 -6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.189 3.956 -8.373 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.554 4.725 -9.159 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.247 1.817 -8.936 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.892 0.778 -9.799 1.00 0.00 H new ATOM 274 N THR A 19 -0.665 5.965 -6.310 1.00 0.00 N ATOM 275 CA THR A 19 -1.933 6.083 -5.601 1.00 0.00 C ATOM 276 C THR A 19 -3.012 5.355 -6.397 1.00 0.00 C ATOM 277 O THR A 19 -3.096 5.491 -7.624 1.00 0.00 O ATOM 278 CB THR A 19 -2.324 7.554 -5.404 1.00 0.00 C ATOM 279 OG1 THR A 19 -1.239 8.386 -5.062 1.00 0.00 O ATOM 280 CG2 THR A 19 -3.373 7.703 -4.302 1.00 0.00 C ATOM 0 H THR A 19 -0.717 6.224 -7.295 1.00 0.00 H new ATOM 0 HA THR A 19 -1.830 5.634 -4.613 1.00 0.00 H new ATOM 0 HB THR A 19 -2.716 7.868 -6.372 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.555 9.307 -4.953 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.631 8.756 -4.185 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.266 7.139 -4.571 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.971 7.321 -3.363 1.00 0.00 H new ATOM 288 N ALA A 20 -3.836 4.584 -5.692 1.00 0.00 N ATOM 289 CA ALA A 20 -4.941 3.813 -6.234 1.00 0.00 C ATOM 290 C ALA A 20 -6.202 4.144 -5.443 1.00 0.00 C ATOM 291 O ALA A 20 -6.126 4.660 -4.323 1.00 0.00 O ATOM 292 CB ALA A 20 -4.626 2.314 -6.138 1.00 0.00 C ATOM 0 H ALA A 20 -3.744 4.478 -4.682 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.094 4.065 -7.283 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.458 1.740 -6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.722 2.095 -6.706 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.474 2.040 -5.094 1.00 0.00 H new ATOM 298 N GLU A 21 -7.361 3.854 -6.020 1.00 0.00 N ATOM 299 CA GLU A 21 -8.657 4.076 -5.404 1.00 0.00 C ATOM 300 C GLU A 21 -9.529 2.868 -5.738 1.00 0.00 C ATOM 301 O GLU A 21 -9.384 2.251 -6.797 1.00 0.00 O ATOM 302 CB GLU A 21 -9.319 5.385 -5.876 1.00 0.00 C ATOM 303 CG GLU A 21 -8.769 6.590 -5.102 1.00 0.00 C ATOM 304 CD GLU A 21 -9.514 7.883 -5.426 1.00 0.00 C ATOM 305 OE1 GLU A 21 -9.474 8.336 -6.597 1.00 0.00 O ATOM 306 OE2 GLU A 21 -10.092 8.504 -4.499 1.00 0.00 O ATOM 0 H GLU A 21 -7.424 3.448 -6.953 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.534 4.183 -4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.142 5.522 -6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.398 5.321 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.838 6.393 -4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.712 6.716 -5.335 1.00 0.00 H new ATOM 313 N PHE A 22 -10.442 2.549 -4.826 1.00 0.00 N ATOM 314 CA PHE A 22 -11.392 1.453 -4.922 1.00 0.00 C ATOM 315 C PHE A 22 -12.705 2.039 -4.430 1.00 0.00 C ATOM 316 O PHE A 22 -12.713 2.691 -3.382 1.00 0.00 O ATOM 317 CB PHE A 22 -10.917 0.255 -4.086 1.00 0.00 C ATOM 318 CG PHE A 22 -9.499 -0.161 -4.424 1.00 0.00 C ATOM 319 CD1 PHE A 22 -9.251 -1.004 -5.523 1.00 0.00 C ATOM 320 CD2 PHE A 22 -8.420 0.402 -3.717 1.00 0.00 C ATOM 321 CE1 PHE A 22 -7.930 -1.277 -5.919 1.00 0.00 C ATOM 322 CE2 PHE A 22 -7.103 0.156 -4.134 1.00 0.00 C ATOM 323 CZ PHE A 22 -6.857 -0.678 -5.237 1.00 0.00 C ATOM 0 H PHE A 22 -10.542 3.076 -3.958 1.00 0.00 H new ATOM 0 HA PHE A 22 -11.499 1.063 -5.934 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -10.976 0.508 -3.027 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.589 -0.588 -4.250 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -10.077 -1.442 -6.063 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.606 1.023 -2.853 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.740 -1.946 -6.746 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.277 0.609 -3.606 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.843 -0.859 -5.561 1.00 0.00 H new ATOM 333 N GLN A 23 -13.779 1.870 -5.199 1.00 0.00 N ATOM 334 CA GLN A 23 -15.109 2.384 -4.894 1.00 0.00 C ATOM 335 C GLN A 23 -16.065 1.210 -4.729 1.00 0.00 C ATOM 336 O GLN A 23 -15.941 0.225 -5.459 1.00 0.00 O ATOM 337 CB GLN A 23 -15.590 3.275 -6.055 1.00 0.00 C ATOM 338 CG GLN A 23 -14.720 4.522 -6.288 1.00 0.00 C ATOM 339 CD GLN A 23 -14.982 5.179 -7.640 1.00 0.00 C ATOM 340 OE1 GLN A 23 -14.976 4.520 -8.679 1.00 0.00 O ATOM 341 NE2 GLN A 23 -15.138 6.490 -7.689 1.00 0.00 N ATOM 0 H GLN A 23 -13.744 1.355 -6.079 1.00 0.00 H new ATOM 0 HA GLN A 23 -15.079 2.970 -3.975 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.610 2.683 -6.970 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -16.614 3.591 -5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -14.909 5.245 -5.495 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.668 4.244 -6.222 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -15.143 7.036 -6.827 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -15.254 6.957 -8.589 1.00 0.00 H new ATOM 350 N GLY A 24 -17.044 1.349 -3.839 1.00 0.00 N ATOM 351 CA GLY A 24 -18.048 0.328 -3.562 1.00 0.00 C ATOM 352 C GLY A 24 -18.292 0.262 -2.063 1.00 0.00 C ATOM 353 O GLY A 24 -18.131 1.264 -1.365 1.00 0.00 O ATOM 0 H GLY A 24 -17.163 2.193 -3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -18.976 0.562 -4.084 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.711 -0.641 -3.931 1.00 0.00 H new ATOM 357 N THR A 25 -18.776 -0.871 -1.562 1.00 0.00 N ATOM 358 CA THR A 25 -18.999 -1.048 -0.135 1.00 0.00 C ATOM 359 C THR A 25 -17.614 -1.059 0.532 1.00 0.00 C ATOM 360 O THR A 25 -16.616 -1.416 -0.103 1.00 0.00 O ATOM 361 CB THR A 25 -19.792 -2.350 0.120 1.00 0.00 C ATOM 362 OG1 THR A 25 -19.580 -3.319 -0.898 1.00 0.00 O ATOM 363 CG2 THR A 25 -21.293 -2.063 0.177 1.00 0.00 C ATOM 0 H THR A 25 -19.022 -1.683 -2.129 1.00 0.00 H new ATOM 0 HA THR A 25 -19.598 -0.242 0.288 1.00 0.00 H new ATOM 0 HB THR A 25 -19.432 -2.743 1.071 1.00 0.00 H new ATOM 0 HG1 THR A 25 -20.099 -4.125 -0.695 1.00 0.00 H new ATOM 0 HG21 THR A 25 -21.834 -2.992 0.357 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.499 -1.360 0.985 1.00 0.00 H new ATOM 0 HG23 THR A 25 -21.617 -1.632 -0.770 1.00 0.00 H new ATOM 371 N PHE A 26 -17.538 -0.696 1.814 1.00 0.00 N ATOM 372 CA PHE A 26 -16.286 -0.669 2.569 1.00 0.00 C ATOM 373 C PHE A 26 -15.660 -2.069 2.533 1.00 0.00 C ATOM 374 O PHE A 26 -14.473 -2.214 2.260 1.00 0.00 O ATOM 375 CB PHE A 26 -16.576 -0.167 3.992 1.00 0.00 C ATOM 376 CG PHE A 26 -15.416 0.425 4.774 1.00 0.00 C ATOM 377 CD1 PHE A 26 -14.649 1.477 4.238 1.00 0.00 C ATOM 378 CD2 PHE A 26 -15.173 0.005 6.096 1.00 0.00 C ATOM 379 CE1 PHE A 26 -13.642 2.089 5.003 1.00 0.00 C ATOM 380 CE2 PHE A 26 -14.161 0.609 6.860 1.00 0.00 C ATOM 381 CZ PHE A 26 -13.404 1.660 6.319 1.00 0.00 C ATOM 0 H PHE A 26 -18.351 -0.411 2.361 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.562 0.018 2.130 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.360 0.587 3.930 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -16.980 -1.000 4.567 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.836 1.816 3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.769 -0.787 6.525 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.052 2.888 4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -13.965 0.264 7.865 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.640 2.138 6.914 1.00 0.00 H new ATOM 391 N GLU A 27 -16.486 -3.111 2.697 1.00 0.00 N ATOM 392 CA GLU A 27 -16.071 -4.515 2.670 1.00 0.00 C ATOM 393 C GLU A 27 -15.438 -4.901 1.326 1.00 0.00 C ATOM 394 O GLU A 27 -14.694 -5.882 1.252 1.00 0.00 O ATOM 395 CB GLU A 27 -17.295 -5.417 2.890 1.00 0.00 C ATOM 396 CG GLU A 27 -17.885 -5.321 4.300 1.00 0.00 C ATOM 397 CD GLU A 27 -19.134 -6.188 4.464 1.00 0.00 C ATOM 398 OE1 GLU A 27 -19.216 -7.277 3.855 1.00 0.00 O ATOM 399 OE2 GLU A 27 -20.068 -5.769 5.192 1.00 0.00 O ATOM 0 H GLU A 27 -17.487 -2.995 2.856 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.332 -4.648 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -18.065 -5.153 2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -17.013 -6.451 2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.134 -5.628 5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.135 -4.283 4.518 1.00 0.00 H new ATOM 406 N GLN A 28 -15.763 -4.186 0.246 1.00 0.00 N ATOM 407 CA GLN A 28 -15.221 -4.452 -1.072 1.00 0.00 C ATOM 408 C GLN A 28 -13.952 -3.639 -1.260 1.00 0.00 C ATOM 409 O GLN A 28 -12.904 -4.227 -1.514 1.00 0.00 O ATOM 410 CB GLN A 28 -16.284 -4.213 -2.161 1.00 0.00 C ATOM 411 CG GLN A 28 -15.838 -4.680 -3.560 1.00 0.00 C ATOM 412 CD GLN A 28 -15.560 -6.184 -3.674 1.00 0.00 C ATOM 413 OE1 GLN A 28 -15.674 -6.944 -2.709 1.00 0.00 O ATOM 414 NE2 GLN A 28 -15.192 -6.643 -4.854 1.00 0.00 N ATOM 0 H GLN A 28 -16.415 -3.402 0.271 1.00 0.00 H new ATOM 0 HA GLN A 28 -14.946 -5.503 -1.166 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -17.200 -4.736 -1.886 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.523 -3.150 -2.199 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.610 -4.411 -4.281 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -14.936 -4.135 -3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.101 -6.004 -5.644 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.998 -7.637 -4.977 1.00 0.00 H new ATOM 423 N ALA A 29 -14.026 -2.318 -1.094 1.00 0.00 N ATOM 424 CA ALA A 29 -12.889 -1.427 -1.253 1.00 0.00 C ATOM 425 C ALA A 29 -11.708 -1.863 -0.371 1.00 0.00 C ATOM 426 O ALA A 29 -10.569 -1.865 -0.837 1.00 0.00 O ATOM 427 CB ALA A 29 -13.354 0.005 -0.987 1.00 0.00 C ATOM 0 H ALA A 29 -14.889 -1.837 -0.843 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.510 -1.474 -2.274 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.512 0.688 -1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.137 0.271 -1.697 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.745 0.078 0.028 1.00 0.00 H new ATOM 433 N THR A 30 -11.950 -2.269 0.880 1.00 0.00 N ATOM 434 CA THR A 30 -10.897 -2.725 1.780 1.00 0.00 C ATOM 435 C THR A 30 -10.275 -4.020 1.226 1.00 0.00 C ATOM 436 O THR A 30 -9.053 -4.155 1.202 1.00 0.00 O ATOM 437 CB THR A 30 -11.494 -2.933 3.188 1.00 0.00 C ATOM 438 OG1 THR A 30 -11.915 -1.708 3.764 1.00 0.00 O ATOM 439 CG2 THR A 30 -10.520 -3.588 4.164 1.00 0.00 C ATOM 0 H THR A 30 -12.883 -2.289 1.293 1.00 0.00 H new ATOM 0 HA THR A 30 -10.105 -1.980 1.853 1.00 0.00 H new ATOM 0 HB THR A 30 -12.343 -3.598 3.032 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.832 -1.512 3.481 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.002 -3.706 5.135 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.227 -4.566 3.784 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.635 -2.960 4.272 1.00 0.00 H new ATOM 447 N SER A 31 -11.101 -4.973 0.783 1.00 0.00 N ATOM 448 CA SER A 31 -10.638 -6.245 0.248 1.00 0.00 C ATOM 449 C SER A 31 -9.813 -6.040 -1.031 1.00 0.00 C ATOM 450 O SER A 31 -8.813 -6.739 -1.232 1.00 0.00 O ATOM 451 CB SER A 31 -11.882 -7.105 -0.003 1.00 0.00 C ATOM 452 OG SER A 31 -11.593 -8.469 -0.207 1.00 0.00 O ATOM 0 H SER A 31 -12.116 -4.877 0.788 1.00 0.00 H new ATOM 0 HA SER A 31 -9.974 -6.745 0.953 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.558 -7.009 0.847 1.00 0.00 H new ATOM 0 HB3 SER A 31 -12.410 -6.720 -0.875 1.00 0.00 H new ATOM 0 HG SER A 31 -12.427 -8.961 -0.359 1.00 0.00 H new ATOM 458 N GLU A 32 -10.182 -5.062 -1.862 1.00 0.00 N ATOM 459 CA GLU A 32 -9.476 -4.757 -3.098 1.00 0.00 C ATOM 460 C GLU A 32 -8.139 -4.103 -2.781 1.00 0.00 C ATOM 461 O GLU A 32 -7.136 -4.423 -3.418 1.00 0.00 O ATOM 462 CB GLU A 32 -10.296 -3.831 -3.995 1.00 0.00 C ATOM 463 CG GLU A 32 -11.520 -4.508 -4.620 1.00 0.00 C ATOM 464 CD GLU A 32 -11.627 -4.154 -6.100 1.00 0.00 C ATOM 465 OE1 GLU A 32 -10.948 -4.808 -6.919 1.00 0.00 O ATOM 466 OE2 GLU A 32 -12.419 -3.257 -6.476 1.00 0.00 O ATOM 0 H GLU A 32 -10.986 -4.458 -1.690 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.314 -5.694 -3.631 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.625 -2.971 -3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.656 -3.450 -4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.445 -5.589 -4.503 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.424 -4.193 -4.098 1.00 0.00 H new ATOM 473 N ALA A 33 -8.092 -3.229 -1.767 1.00 0.00 N ATOM 474 CA ALA A 33 -6.865 -2.558 -1.380 1.00 0.00 C ATOM 475 C ALA A 33 -5.775 -3.586 -1.061 1.00 0.00 C ATOM 476 O ALA A 33 -4.649 -3.445 -1.551 1.00 0.00 O ATOM 477 CB ALA A 33 -7.109 -1.604 -0.211 1.00 0.00 C ATOM 0 H ALA A 33 -8.902 -2.975 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.517 -1.954 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.174 -1.114 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.842 -0.852 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.485 -2.165 0.644 1.00 0.00 H new ATOM 483 N TYR A 34 -6.110 -4.636 -0.296 1.00 0.00 N ATOM 484 CA TYR A 34 -5.108 -5.643 0.028 1.00 0.00 C ATOM 485 C TYR A 34 -4.801 -6.517 -1.190 1.00 0.00 C ATOM 486 O TYR A 34 -3.658 -6.917 -1.378 1.00 0.00 O ATOM 487 CB TYR A 34 -5.610 -6.576 1.141 1.00 0.00 C ATOM 488 CG TYR A 34 -6.106 -5.917 2.415 1.00 0.00 C ATOM 489 CD1 TYR A 34 -5.330 -4.961 3.091 1.00 0.00 C ATOM 490 CD2 TYR A 34 -7.346 -6.300 2.952 1.00 0.00 C ATOM 491 CE1 TYR A 34 -5.785 -4.386 4.290 1.00 0.00 C ATOM 492 CE2 TYR A 34 -7.795 -5.761 4.164 1.00 0.00 C ATOM 493 CZ TYR A 34 -7.023 -4.794 4.842 1.00 0.00 C ATOM 494 OH TYR A 34 -7.486 -4.230 5.996 1.00 0.00 O ATOM 0 H TYR A 34 -7.037 -4.801 0.095 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.215 -5.108 0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.419 -7.184 0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.801 -7.257 1.404 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.374 -4.665 2.685 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.959 -7.017 2.425 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.191 -3.634 4.789 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.736 -6.087 4.582 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.351 -4.627 6.230 1.00 0.00 H new ATOM 504 N ALA A 35 -5.771 -6.770 -2.074 1.00 0.00 N ATOM 505 CA ALA A 35 -5.549 -7.607 -3.244 1.00 0.00 C ATOM 506 C ALA A 35 -4.602 -6.927 -4.238 1.00 0.00 C ATOM 507 O ALA A 35 -3.715 -7.587 -4.788 1.00 0.00 O ATOM 508 CB ALA A 35 -6.893 -7.951 -3.886 1.00 0.00 C ATOM 0 H ALA A 35 -6.719 -6.403 -1.996 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.066 -8.534 -2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.728 -8.578 -4.762 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.513 -8.488 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.398 -7.033 -4.187 1.00 0.00 H new ATOM 514 N TYR A 36 -4.743 -5.618 -4.411 1.00 0.00 N ATOM 515 CA TYR A 36 -3.928 -4.821 -5.310 1.00 0.00 C ATOM 516 C TYR A 36 -2.462 -4.863 -4.870 1.00 0.00 C ATOM 517 O TYR A 36 -1.583 -5.184 -5.665 1.00 0.00 O ATOM 518 CB TYR A 36 -4.496 -3.403 -5.323 1.00 0.00 C ATOM 519 CG TYR A 36 -3.982 -2.550 -6.456 1.00 0.00 C ATOM 520 CD1 TYR A 36 -4.546 -2.707 -7.734 1.00 0.00 C ATOM 521 CD2 TYR A 36 -2.985 -1.583 -6.233 1.00 0.00 C ATOM 522 CE1 TYR A 36 -4.133 -1.883 -8.791 1.00 0.00 C ATOM 523 CE2 TYR A 36 -2.571 -0.751 -7.287 1.00 0.00 C ATOM 524 CZ TYR A 36 -3.158 -0.890 -8.564 1.00 0.00 C ATOM 525 OH TYR A 36 -2.742 -0.093 -9.581 1.00 0.00 O ATOM 0 H TYR A 36 -5.447 -5.071 -3.915 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.955 -5.218 -6.325 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.583 -3.458 -5.386 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.256 -2.917 -4.377 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.298 -3.463 -7.902 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.539 -1.480 -5.255 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.560 -2.009 -9.775 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.806 -0.007 -7.121 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.068 0.536 -9.249 1.00 0.00 H new ATOM 535 N ALA A 37 -2.190 -4.590 -3.591 1.00 0.00 N ATOM 536 CA ALA A 37 -0.827 -4.615 -3.073 1.00 0.00 C ATOM 537 C ALA A 37 -0.194 -6.008 -3.185 1.00 0.00 C ATOM 538 O ALA A 37 1.014 -6.123 -3.395 1.00 0.00 O ATOM 539 CB ALA A 37 -0.840 -4.177 -1.607 1.00 0.00 C ATOM 0 H ALA A 37 -2.899 -4.349 -2.898 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.227 -3.931 -3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.176 -4.193 -1.213 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.242 -3.166 -1.533 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.464 -4.859 -1.029 1.00 0.00 H new ATOM 545 N ASP A 38 -1.000 -7.071 -3.091 1.00 0.00 N ATOM 546 CA ASP A 38 -0.509 -8.444 -3.159 1.00 0.00 C ATOM 547 C ASP A 38 0.118 -8.764 -4.507 1.00 0.00 C ATOM 548 O ASP A 38 1.142 -9.447 -4.571 1.00 0.00 O ATOM 549 CB ASP A 38 -1.603 -9.460 -2.798 1.00 0.00 C ATOM 550 CG ASP A 38 -1.169 -10.245 -1.563 1.00 0.00 C ATOM 551 OD1 ASP A 38 -0.094 -10.877 -1.605 1.00 0.00 O ATOM 552 OD2 ASP A 38 -1.836 -10.098 -0.516 1.00 0.00 O ATOM 0 H ASP A 38 -2.010 -7.000 -2.966 1.00 0.00 H new ATOM 0 HA ASP A 38 0.279 -8.529 -2.410 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.544 -8.946 -2.605 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.776 -10.139 -3.633 1.00 0.00 H new ATOM 557 N THR A 39 -0.435 -8.230 -5.598 1.00 0.00 N ATOM 558 CA THR A 39 0.107 -8.485 -6.930 1.00 0.00 C ATOM 559 C THR A 39 1.423 -7.717 -7.142 1.00 0.00 C ATOM 560 O THR A 39 2.088 -7.916 -8.164 1.00 0.00 O ATOM 561 CB THR A 39 -0.981 -8.237 -7.997 1.00 0.00 C ATOM 562 OG1 THR A 39 -0.884 -9.211 -9.018 1.00 0.00 O ATOM 563 CG2 THR A 39 -1.001 -6.855 -8.654 1.00 0.00 C ATOM 0 H THR A 39 -1.254 -7.622 -5.584 1.00 0.00 H new ATOM 0 HA THR A 39 0.384 -9.534 -7.035 1.00 0.00 H new ATOM 0 HB THR A 39 -1.912 -8.303 -7.434 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.578 -9.049 -9.691 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.810 -6.810 -9.383 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.157 -6.092 -7.891 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.050 -6.677 -9.156 1.00 0.00 H new ATOM 571 N LEU A 40 1.838 -6.862 -6.193 1.00 0.00 N ATOM 572 CA LEU A 40 3.068 -6.079 -6.268 1.00 0.00 C ATOM 573 C LEU A 40 4.111 -6.636 -5.292 1.00 0.00 C ATOM 574 O LEU A 40 5.316 -6.498 -5.537 1.00 0.00 O ATOM 575 CB LEU A 40 2.748 -4.601 -5.961 1.00 0.00 C ATOM 576 CG LEU A 40 1.819 -3.935 -6.999 1.00 0.00 C ATOM 577 CD1 LEU A 40 1.227 -2.638 -6.438 1.00 0.00 C ATOM 578 CD2 LEU A 40 2.572 -3.647 -8.303 1.00 0.00 C ATOM 0 H LEU A 40 1.311 -6.697 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 40 3.486 -6.145 -7.272 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.283 -4.537 -4.977 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.681 -4.040 -5.910 1.00 0.00 H new ATOM 0 HG LEU A 40 1.006 -4.629 -7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.575 -2.183 -7.184 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.651 -2.860 -5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.033 -1.947 -6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.896 -3.178 -9.018 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.407 -2.977 -8.100 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.949 -4.581 -8.719 1.00 0.00 H new ATOM 590 N LYS A 41 3.661 -7.321 -4.236 1.00 0.00 N ATOM 591 CA LYS A 41 4.441 -7.930 -3.165 1.00 0.00 C ATOM 592 C LYS A 41 5.544 -8.867 -3.648 1.00 0.00 C ATOM 593 O LYS A 41 6.616 -8.863 -3.054 1.00 0.00 O ATOM 594 CB LYS A 41 3.451 -8.683 -2.251 1.00 0.00 C ATOM 595 CG LYS A 41 3.998 -8.959 -0.845 1.00 0.00 C ATOM 596 CD LYS A 41 2.956 -9.614 0.067 1.00 0.00 C ATOM 597 CE LYS A 41 2.779 -11.109 -0.192 1.00 0.00 C ATOM 598 NZ LYS A 41 1.529 -11.596 0.418 1.00 0.00 N ATOM 0 H LYS A 41 2.661 -7.473 -4.102 1.00 0.00 H new ATOM 0 HA LYS A 41 4.966 -7.137 -2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.533 -8.101 -2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.185 -9.630 -2.720 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.872 -9.607 -0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.332 -8.023 -0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.248 -9.465 1.106 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.998 -9.113 -0.070 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.764 -11.299 -1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.628 -11.658 0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.529 -12.636 0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.457 -11.241 1.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.717 -11.255 -0.135 1.00 0.00 H new ATOM 612 N GLN A 42 5.335 -9.589 -4.753 1.00 0.00 N ATOM 613 CA GLN A 42 6.331 -10.531 -5.247 1.00 0.00 C ATOM 614 C GLN A 42 7.707 -9.915 -5.548 1.00 0.00 C ATOM 615 O GLN A 42 8.712 -10.588 -5.344 1.00 0.00 O ATOM 616 CB GLN A 42 5.772 -11.340 -6.431 1.00 0.00 C ATOM 617 CG GLN A 42 6.552 -12.652 -6.612 1.00 0.00 C ATOM 618 CD GLN A 42 5.921 -13.630 -7.604 1.00 0.00 C ATOM 619 OE1 GLN A 42 5.550 -14.746 -7.241 1.00 0.00 O ATOM 620 NE2 GLN A 42 5.809 -13.283 -8.874 1.00 0.00 N ATOM 0 H GLN A 42 4.487 -9.536 -5.317 1.00 0.00 H new ATOM 0 HA GLN A 42 6.530 -11.217 -4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.718 -11.559 -6.262 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.832 -10.747 -7.343 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.563 -12.417 -6.945 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.642 -13.144 -5.643 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.115 -12.359 -9.179 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.416 -13.939 -9.549 1.00 0.00 H new ATOM 629 N ASP A 43 7.775 -8.653 -5.998 1.00 0.00 N ATOM 630 CA ASP A 43 9.064 -8.001 -6.301 1.00 0.00 C ATOM 631 C ASP A 43 9.353 -6.848 -5.342 1.00 0.00 C ATOM 632 O ASP A 43 10.507 -6.484 -5.118 1.00 0.00 O ATOM 633 CB ASP A 43 9.071 -7.498 -7.748 1.00 0.00 C ATOM 634 CG ASP A 43 10.398 -6.832 -8.113 1.00 0.00 C ATOM 635 OD1 ASP A 43 11.327 -7.543 -8.567 1.00 0.00 O ATOM 636 OD2 ASP A 43 10.473 -5.591 -7.993 1.00 0.00 O ATOM 0 H ASP A 43 6.958 -8.064 -6.160 1.00 0.00 H new ATOM 0 HA ASP A 43 9.851 -8.744 -6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.886 -8.333 -8.424 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.257 -6.787 -7.889 1.00 0.00 H new ATOM 641 N ASN A 44 8.312 -6.255 -4.752 1.00 0.00 N ATOM 642 CA ASN A 44 8.495 -5.148 -3.819 1.00 0.00 C ATOM 643 C ASN A 44 8.790 -5.659 -2.412 1.00 0.00 C ATOM 644 O ASN A 44 9.412 -4.933 -1.644 1.00 0.00 O ATOM 645 CB ASN A 44 7.292 -4.202 -3.835 1.00 0.00 C ATOM 646 CG ASN A 44 7.220 -3.462 -5.160 1.00 0.00 C ATOM 647 OD1 ASN A 44 7.913 -2.477 -5.372 1.00 0.00 O ATOM 648 ND2 ASN A 44 6.411 -3.937 -6.089 1.00 0.00 N ATOM 0 H ASN A 44 7.340 -6.523 -4.905 1.00 0.00 H new ATOM 0 HA ASN A 44 9.362 -4.574 -4.148 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.374 -4.768 -3.676 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.372 -3.488 -3.016 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.357 -3.481 -7.000 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.840 -4.760 -5.896 1.00 0.00 H new ATOM 655 N GLY A 45 8.458 -6.914 -2.102 1.00 0.00 N ATOM 656 CA GLY A 45 8.679 -7.519 -0.801 1.00 0.00 C ATOM 657 C GLY A 45 7.469 -7.318 0.088 1.00 0.00 C ATOM 658 O GLY A 45 6.402 -6.933 -0.394 1.00 0.00 O ATOM 0 H GLY A 45 8.018 -7.547 -2.770 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.879 -8.584 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.559 -7.078 -0.333 1.00 0.00 H new ATOM 662 N GLU A 46 7.598 -7.674 1.369 1.00 0.00 N ATOM 663 CA GLU A 46 6.496 -7.496 2.300 1.00 0.00 C ATOM 664 C GLU A 46 6.171 -6.010 2.443 1.00 0.00 C ATOM 665 O GLU A 46 6.985 -5.124 2.167 1.00 0.00 O ATOM 666 CB GLU A 46 6.825 -8.050 3.693 1.00 0.00 C ATOM 667 CG GLU A 46 6.394 -9.508 3.867 1.00 0.00 C ATOM 668 CD GLU A 46 6.172 -9.809 5.348 1.00 0.00 C ATOM 669 OE1 GLU A 46 5.208 -9.241 5.928 1.00 0.00 O ATOM 670 OE2 GLU A 46 6.982 -10.559 5.940 1.00 0.00 O ATOM 0 H GLU A 46 8.442 -8.080 1.774 1.00 0.00 H new ATOM 0 HA GLU A 46 5.645 -8.044 1.896 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.898 -7.970 3.867 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.333 -7.438 4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.478 -9.695 3.307 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.157 -10.173 3.462 1.00 0.00 H new ATOM 677 N TRP A 47 4.961 -5.763 2.922 1.00 0.00 N ATOM 678 CA TRP A 47 4.422 -4.446 3.164 1.00 0.00 C ATOM 679 C TRP A 47 3.750 -4.424 4.527 1.00 0.00 C ATOM 680 O TRP A 47 3.527 -5.477 5.142 1.00 0.00 O ATOM 681 CB TRP A 47 3.425 -4.084 2.047 1.00 0.00 C ATOM 682 CG TRP A 47 2.328 -5.083 1.812 1.00 0.00 C ATOM 683 CD1 TRP A 47 2.289 -5.968 0.792 1.00 0.00 C ATOM 684 CD2 TRP A 47 1.119 -5.332 2.597 1.00 0.00 C ATOM 685 NE1 TRP A 47 1.162 -6.756 0.907 1.00 0.00 N ATOM 686 CE2 TRP A 47 0.476 -6.489 2.074 1.00 0.00 C ATOM 687 CE3 TRP A 47 0.493 -4.707 3.696 1.00 0.00 C ATOM 688 CZ2 TRP A 47 -0.669 -7.044 2.675 1.00 0.00 C ATOM 689 CZ3 TRP A 47 -0.685 -5.219 4.271 1.00 0.00 C ATOM 690 CH2 TRP A 47 -1.266 -6.392 3.764 1.00 0.00 C ATOM 0 H TRP A 47 4.307 -6.509 3.160 1.00 0.00 H new ATOM 0 HA TRP A 47 5.222 -3.705 3.160 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.972 -3.122 2.286 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.979 -3.953 1.117 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.027 -6.047 0.007 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.873 -7.449 0.216 1.00 0.00 H new ATOM 0 HE3 TRP A 47 0.930 -3.810 4.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.086 -7.967 2.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -1.143 -4.708 5.105 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.166 -6.790 4.209 1.00 0.00 H new ATOM 701 N THR A 48 3.419 -3.220 4.970 1.00 0.00 N ATOM 702 CA THR A 48 2.733 -2.903 6.209 1.00 0.00 C ATOM 703 C THR A 48 1.637 -1.897 5.830 1.00 0.00 C ATOM 704 O THR A 48 1.621 -1.395 4.697 1.00 0.00 O ATOM 705 CB THR A 48 3.712 -2.344 7.254 1.00 0.00 C ATOM 706 OG1 THR A 48 4.322 -1.154 6.794 1.00 0.00 O ATOM 707 CG2 THR A 48 4.800 -3.347 7.639 1.00 0.00 C ATOM 0 H THR A 48 3.639 -2.381 4.433 1.00 0.00 H new ATOM 0 HA THR A 48 2.296 -3.787 6.674 1.00 0.00 H new ATOM 0 HB THR A 48 3.116 -2.134 8.142 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.939 -0.817 7.477 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.462 -2.899 8.380 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.339 -4.241 8.059 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.376 -3.617 6.754 1.00 0.00 H new ATOM 715 N VAL A 49 0.697 -1.600 6.730 1.00 0.00 N ATOM 716 CA VAL A 49 -0.361 -0.648 6.428 1.00 0.00 C ATOM 717 C VAL A 49 -0.677 0.202 7.654 1.00 0.00 C ATOM 718 O VAL A 49 -0.369 -0.166 8.791 1.00 0.00 O ATOM 719 CB VAL A 49 -1.595 -1.387 5.842 1.00 0.00 C ATOM 720 CG1 VAL A 49 -2.189 -2.427 6.800 1.00 0.00 C ATOM 721 CG2 VAL A 49 -2.724 -0.439 5.393 1.00 0.00 C ATOM 0 H VAL A 49 0.651 -2.004 7.665 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.028 0.048 5.658 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.194 -1.896 4.966 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.047 -2.906 6.330 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.436 -3.179 7.033 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.507 -1.935 7.719 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.553 -1.024 4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.069 0.146 6.246 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.349 0.233 4.621 1.00 0.00 H new ATOM 731 N ASP A 50 -1.267 1.371 7.418 1.00 0.00 N ATOM 732 CA ASP A 50 -1.699 2.296 8.445 1.00 0.00 C ATOM 733 C ASP A 50 -3.015 2.881 7.960 1.00 0.00 C ATOM 734 O ASP A 50 -3.078 3.485 6.884 1.00 0.00 O ATOM 735 CB ASP A 50 -0.666 3.367 8.802 1.00 0.00 C ATOM 736 CG ASP A 50 -0.888 3.785 10.255 1.00 0.00 C ATOM 737 OD1 ASP A 50 -0.952 2.895 11.140 1.00 0.00 O ATOM 738 OD2 ASP A 50 -0.998 5.000 10.534 1.00 0.00 O ATOM 0 H ASP A 50 -1.461 1.705 6.474 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.827 1.766 9.389 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.344 2.979 8.669 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.767 4.227 8.140 1.00 0.00 H new ATOM 743 N VAL A 51 -4.069 2.650 8.736 1.00 0.00 N ATOM 744 CA VAL A 51 -5.429 3.079 8.463 1.00 0.00 C ATOM 745 C VAL A 51 -5.611 4.537 8.906 1.00 0.00 C ATOM 746 O VAL A 51 -5.148 4.926 9.979 1.00 0.00 O ATOM 747 CB VAL A 51 -6.373 2.056 9.146 1.00 0.00 C ATOM 748 CG1 VAL A 51 -6.346 2.085 10.679 1.00 0.00 C ATOM 749 CG2 VAL A 51 -7.819 2.177 8.673 1.00 0.00 C ATOM 0 H VAL A 51 -3.990 2.134 9.612 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.671 3.085 7.400 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.966 1.095 8.830 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.036 1.337 11.069 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.337 1.866 11.029 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.645 3.073 11.030 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.433 1.436 9.185 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.193 3.176 8.898 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.866 2.006 7.598 1.00 0.00 H new ATOM 759 N ALA A 52 -6.229 5.363 8.057 1.00 0.00 N ATOM 760 CA ALA A 52 -6.498 6.772 8.304 1.00 0.00 C ATOM 761 C ALA A 52 -7.897 7.105 7.782 1.00 0.00 C ATOM 762 O ALA A 52 -8.442 6.378 6.947 1.00 0.00 O ATOM 763 CB ALA A 52 -5.431 7.619 7.602 1.00 0.00 C ATOM 0 H ALA A 52 -6.566 5.051 7.146 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.461 6.990 9.371 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.628 8.676 7.784 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.447 7.361 7.992 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.459 7.424 6.530 1.00 0.00 H new ATOM 769 N ASP A 53 -8.458 8.234 8.231 1.00 0.00 N ATOM 770 CA ASP A 53 -9.793 8.711 7.845 1.00 0.00 C ATOM 771 C ASP A 53 -10.823 7.591 8.046 1.00 0.00 C ATOM 772 O ASP A 53 -11.573 7.281 7.127 1.00 0.00 O ATOM 773 CB ASP A 53 -9.799 9.234 6.388 1.00 0.00 C ATOM 774 CG ASP A 53 -8.940 10.468 6.166 1.00 0.00 C ATOM 775 OD1 ASP A 53 -9.014 11.400 6.999 1.00 0.00 O ATOM 776 OD2 ASP A 53 -8.236 10.523 5.134 1.00 0.00 O ATOM 0 H ASP A 53 -7.986 8.856 8.888 1.00 0.00 H new ATOM 0 HA ASP A 53 -10.066 9.549 8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.452 8.440 5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.825 9.463 6.100 1.00 0.00 H new ATOM 781 N GLN A 54 -10.842 6.926 9.211 1.00 0.00 N ATOM 782 CA GLN A 54 -11.733 5.803 9.560 1.00 0.00 C ATOM 783 C GLN A 54 -11.435 4.544 8.716 1.00 0.00 C ATOM 784 O GLN A 54 -11.924 3.456 9.016 1.00 0.00 O ATOM 785 CB GLN A 54 -13.224 6.181 9.471 1.00 0.00 C ATOM 786 CG GLN A 54 -13.629 7.371 10.352 1.00 0.00 C ATOM 787 CD GLN A 54 -13.880 6.955 11.797 1.00 0.00 C ATOM 788 OE1 GLN A 54 -14.983 6.540 12.154 1.00 0.00 O ATOM 789 NE2 GLN A 54 -12.883 7.047 12.654 1.00 0.00 N ATOM 0 H GLN A 54 -10.208 7.166 9.973 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.521 5.566 10.603 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -13.466 6.413 8.434 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.823 5.315 9.752 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.844 8.126 10.324 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.529 7.832 9.946 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.975 7.392 12.344 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.020 6.773 13.627 1.00 0.00 H new ATOM 798 N GLY A 55 -10.600 4.667 7.687 1.00 0.00 N ATOM 799 CA GLY A 55 -10.168 3.663 6.737 1.00 0.00 C ATOM 800 C GLY A 55 -10.369 4.127 5.299 1.00 0.00 C ATOM 801 O GLY A 55 -10.023 3.373 4.392 1.00 0.00 O ATOM 0 H GLY A 55 -10.169 5.569 7.483 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.115 3.434 6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.724 2.741 6.903 1.00 0.00 H new ATOM 805 N TYR A 56 -10.909 5.336 5.073 1.00 0.00 N ATOM 806 CA TYR A 56 -11.115 5.890 3.736 1.00 0.00 C ATOM 807 C TYR A 56 -9.754 6.184 3.071 1.00 0.00 C ATOM 808 O TYR A 56 -9.683 6.370 1.856 1.00 0.00 O ATOM 809 CB TYR A 56 -11.949 7.186 3.786 1.00 0.00 C ATOM 810 CG TYR A 56 -13.276 7.197 4.545 1.00 0.00 C ATOM 811 CD1 TYR A 56 -14.118 6.071 4.558 1.00 0.00 C ATOM 812 CD2 TYR A 56 -13.714 8.377 5.182 1.00 0.00 C ATOM 813 CE1 TYR A 56 -15.393 6.120 5.147 1.00 0.00 C ATOM 814 CE2 TYR A 56 -14.957 8.416 5.847 1.00 0.00 C ATOM 815 CZ TYR A 56 -15.810 7.290 5.819 1.00 0.00 C ATOM 816 OH TYR A 56 -17.022 7.350 6.442 1.00 0.00 O ATOM 0 H TYR A 56 -11.215 5.956 5.822 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.662 5.151 3.151 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -11.319 7.964 4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -12.158 7.480 2.757 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -13.778 5.151 4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -13.091 9.259 5.160 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -16.051 5.266 5.086 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -15.257 9.307 6.378 1.00 0.00 H new ATOM 0 HH TYR A 56 -17.136 8.233 6.851 1.00 0.00 H new ATOM 826 N THR A 57 -8.664 6.230 3.842 1.00 0.00 N ATOM 827 CA THR A 57 -7.316 6.477 3.362 1.00 0.00 C ATOM 828 C THR A 57 -6.439 5.369 3.944 1.00 0.00 C ATOM 829 O THR A 57 -6.491 5.086 5.144 1.00 0.00 O ATOM 830 CB THR A 57 -6.862 7.890 3.765 1.00 0.00 C ATOM 831 OG1 THR A 57 -7.734 8.865 3.217 1.00 0.00 O ATOM 832 CG2 THR A 57 -5.446 8.192 3.258 1.00 0.00 C ATOM 0 H THR A 57 -8.705 6.090 4.852 1.00 0.00 H new ATOM 0 HA THR A 57 -7.250 6.451 2.274 1.00 0.00 H new ATOM 0 HB THR A 57 -6.876 7.928 4.854 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.772 9.642 3.813 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.158 9.199 3.561 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.746 7.471 3.682 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.426 8.121 2.171 1.00 0.00 H new ATOM 840 N LEU A 58 -5.636 4.728 3.096 1.00 0.00 N ATOM 841 CA LEU A 58 -4.733 3.652 3.467 1.00 0.00 C ATOM 842 C LEU A 58 -3.326 4.017 3.050 1.00 0.00 C ATOM 843 O LEU A 58 -3.111 4.530 1.949 1.00 0.00 O ATOM 844 CB LEU A 58 -5.144 2.316 2.834 1.00 0.00 C ATOM 845 CG LEU A 58 -6.459 1.738 3.377 1.00 0.00 C ATOM 846 CD1 LEU A 58 -6.755 0.443 2.616 1.00 0.00 C ATOM 847 CD2 LEU A 58 -6.374 1.483 4.885 1.00 0.00 C ATOM 0 H LEU A 58 -5.599 4.954 2.102 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.780 3.524 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.238 2.451 1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.347 1.590 2.996 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.267 2.454 3.226 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.686 0.010 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.850 0.660 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.940 -0.264 2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.320 1.074 5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.573 0.773 5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.168 2.421 5.402 1.00 0.00 H new ATOM 859 N ASN A 59 -2.385 3.837 3.969 1.00 0.00 N ATOM 860 CA ASN A 59 -0.973 4.097 3.758 1.00 0.00 C ATOM 861 C ASN A 59 -0.331 2.721 3.680 1.00 0.00 C ATOM 862 O ASN A 59 -0.355 2.029 4.692 1.00 0.00 O ATOM 863 CB ASN A 59 -0.370 4.889 4.926 1.00 0.00 C ATOM 864 CG ASN A 59 -0.983 6.260 5.125 1.00 0.00 C ATOM 865 OD1 ASN A 59 -0.565 7.243 4.506 1.00 0.00 O ATOM 866 ND2 ASN A 59 -1.960 6.348 6.014 1.00 0.00 N ATOM 0 H ASN A 59 -2.593 3.496 4.908 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.807 4.693 2.861 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.491 4.312 5.843 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.701 5.002 4.760 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.394 7.251 6.207 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.279 5.513 6.506 1.00 0.00 H new ATOM 873 N ILE A 60 0.167 2.284 2.523 1.00 0.00 N ATOM 874 CA ILE A 60 0.801 0.980 2.330 1.00 0.00 C ATOM 875 C ILE A 60 2.251 1.272 1.937 1.00 0.00 C ATOM 876 O ILE A 60 2.500 2.006 0.977 1.00 0.00 O ATOM 877 CB ILE A 60 0.036 0.122 1.286 1.00 0.00 C ATOM 878 CG1 ILE A 60 -1.462 -0.006 1.660 1.00 0.00 C ATOM 879 CG2 ILE A 60 0.688 -1.272 1.174 1.00 0.00 C ATOM 880 CD1 ILE A 60 -2.328 -0.818 0.686 1.00 0.00 C ATOM 0 H ILE A 60 0.140 2.843 1.670 1.00 0.00 H new ATOM 0 HA ILE A 60 0.777 0.377 3.238 1.00 0.00 H new ATOM 0 HB ILE A 60 0.095 0.621 0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.533 -0.463 2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.883 0.996 1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.147 -1.869 0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.726 -1.164 0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.653 -1.769 2.143 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.356 -0.842 1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.300 -0.354 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.944 -1.836 0.619 1.00 0.00 H new ATOM 892 N GLN A 61 3.209 0.709 2.671 1.00 0.00 N ATOM 893 CA GLN A 61 4.643 0.889 2.460 1.00 0.00 C ATOM 894 C GLN A 61 5.278 -0.496 2.333 1.00 0.00 C ATOM 895 O GLN A 61 4.863 -1.407 3.050 1.00 0.00 O ATOM 896 CB GLN A 61 5.186 1.731 3.630 1.00 0.00 C ATOM 897 CG GLN A 61 6.564 2.377 3.415 1.00 0.00 C ATOM 898 CD GLN A 61 7.718 1.380 3.438 1.00 0.00 C ATOM 899 OE1 GLN A 61 7.707 0.399 4.178 1.00 0.00 O ATOM 900 NE2 GLN A 61 8.713 1.579 2.593 1.00 0.00 N ATOM 0 H GLN A 61 3.000 0.093 3.457 1.00 0.00 H new ATOM 0 HA GLN A 61 4.882 1.428 1.543 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.467 2.521 3.847 1.00 0.00 H new ATOM 0 HB3 GLN A 61 5.239 1.096 4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.565 2.899 2.458 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.728 3.128 4.188 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.709 2.398 1.984 1.00 0.00 H new ATOM 0 HE22 GLN A 61 9.485 0.914 2.549 1.00 0.00 H new ATOM 909 N PHE A 62 6.191 -0.681 1.371 1.00 0.00 N ATOM 910 CA PHE A 62 6.888 -1.947 1.120 1.00 0.00 C ATOM 911 C PHE A 62 8.313 -1.863 1.674 1.00 0.00 C ATOM 912 O PHE A 62 9.002 -0.880 1.410 1.00 0.00 O ATOM 913 CB PHE A 62 6.935 -2.248 -0.385 1.00 0.00 C ATOM 914 CG PHE A 62 5.588 -2.493 -1.047 1.00 0.00 C ATOM 915 CD1 PHE A 62 4.796 -1.410 -1.470 1.00 0.00 C ATOM 916 CD2 PHE A 62 5.141 -3.807 -1.283 1.00 0.00 C ATOM 917 CE1 PHE A 62 3.581 -1.637 -2.136 1.00 0.00 C ATOM 918 CE2 PHE A 62 3.922 -4.038 -1.949 1.00 0.00 C ATOM 919 CZ PHE A 62 3.140 -2.951 -2.376 1.00 0.00 C ATOM 0 H PHE A 62 6.471 0.063 0.732 1.00 0.00 H new ATOM 0 HA PHE A 62 6.347 -2.751 1.618 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.421 -1.413 -0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.562 -3.125 -0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 62 5.124 -0.399 -1.281 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.737 -4.644 -0.951 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.983 -0.800 -2.465 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.588 -5.049 -2.131 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.204 -3.124 -2.886 1.00 0.00 H new ATOM 929 N ALA A 63 8.758 -2.873 2.426 1.00 0.00 N ATOM 930 CA ALA A 63 10.090 -2.917 3.025 1.00 0.00 C ATOM 931 C ALA A 63 11.184 -3.242 1.996 1.00 0.00 C ATOM 932 O ALA A 63 12.094 -2.440 1.789 1.00 0.00 O ATOM 933 CB ALA A 63 10.088 -3.932 4.175 1.00 0.00 C ATOM 0 H ALA A 63 8.192 -3.695 2.638 1.00 0.00 H new ATOM 0 HA ALA A 63 10.326 -1.926 3.413 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.079 -3.971 4.628 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.358 -3.630 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.826 -4.918 3.790 1.00 0.00 H new ATOM 939 N GLY A 64 11.071 -4.402 1.344 1.00 0.00 N ATOM 940 CA GLY A 64 11.987 -4.931 0.338 1.00 0.00 C ATOM 941 C GLY A 64 11.889 -6.463 0.337 1.00 0.00 C ATOM 942 O GLY A 64 11.344 -7.040 1.282 1.00 0.00 O ATOM 0 H GLY A 64 10.289 -5.033 1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.736 -4.536 -0.646 1.00 0.00 H new ATOM 0 HA3 GLY A 64 13.008 -4.618 0.556 1.00 0.00 H new TER 946 GLY A 64