USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 458 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 53 SER OG : rot 66:sc= 0.0395 USER MOD Set 1.2: A 54 ASN :FLIP amide:sc= -0.0168 F(o=-1.6!,f=0.023) USER MOD Set 2.1: A 45 ASN : amide:sc=-0.00796 X(o=0.048,f=-0.41) USER MOD Set 2.2: A 47 GLN : amide:sc= 0.0561 K(o=0.048,f=-4.9!) USER MOD Set 3.1: A 1 GLY N :NH3+ 136:sc= 1.23 (180deg=0) USER MOD Set 3.2: A 4 ASN : amide:sc= 0.986 K(o=2.2,f=-8.3!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.0006) USER MOD Single : A 13 TYR OH : rot -143:sc= 0.707 USER MOD Single : A 14 MET CE :methyl -159:sc= -0.227 (180deg=-0.903) USER MOD Single : A 22 SER OG : rot 11:sc= -0.704 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -65:sc= 1.2 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -138:sc= -0.7 (180deg=-2.18!) USER MOD Single : A 34 LYS NZ :NH3+ -169:sc= 1.01 (180deg=0.565) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 30:sc= -0.42 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 10:sc= 0.0352 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.655 5.564 5.445 1.00 0.00 N ATOM 2 CA GLY A 1 -14.760 4.626 6.588 1.00 0.00 C ATOM 3 C GLY A 1 -13.667 3.583 6.558 1.00 0.00 C ATOM 4 O GLY A 1 -12.532 3.876 6.186 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.599 5.722 5.038 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.264 6.470 5.774 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.029 5.159 4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.705 5.184 7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.733 4.134 6.567 1.00 0.00 H new ATOM 8 N SER A 2 -13.999 2.364 6.955 1.00 0.00 N ATOM 9 CA SER A 2 -13.063 1.263 6.856 1.00 0.00 C ATOM 10 C SER A 2 -13.301 0.540 5.533 1.00 0.00 C ATOM 11 O SER A 2 -14.329 0.761 4.892 1.00 0.00 O ATOM 12 CB SER A 2 -13.233 0.310 8.040 1.00 0.00 C ATOM 13 OG SER A 2 -12.083 -0.501 8.216 1.00 0.00 O ATOM 0 H SER A 2 -14.907 2.116 7.347 1.00 0.00 H new ATOM 0 HA SER A 2 -12.041 1.640 6.883 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.419 0.884 8.948 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.106 -0.323 7.878 1.00 0.00 H new ATOM 0 HG SER A 2 -12.218 -1.099 8.980 1.00 0.00 H new ATOM 19 N LEU A 3 -12.360 -0.320 5.135 1.00 0.00 N ATOM 20 CA LEU A 3 -12.391 -0.969 3.816 1.00 0.00 C ATOM 21 C LEU A 3 -12.126 0.064 2.718 1.00 0.00 C ATOM 22 O LEU A 3 -12.473 -0.129 1.555 1.00 0.00 O ATOM 23 CB LEU A 3 -13.720 -1.706 3.563 1.00 0.00 C ATOM 24 CG LEU A 3 -13.837 -3.103 4.188 1.00 0.00 C ATOM 25 CD1 LEU A 3 -13.668 -3.050 5.695 1.00 0.00 C ATOM 26 CD2 LEU A 3 -15.174 -3.729 3.830 1.00 0.00 C ATOM 0 H LEU A 3 -11.561 -0.586 5.710 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.603 -1.721 3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -14.534 -1.089 3.943 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.864 -1.797 2.486 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.035 -3.720 3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.756 -4.055 6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.686 -2.644 5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -14.440 -2.413 6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -15.244 -4.720 4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -15.982 -3.102 4.207 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -15.257 -3.816 2.747 1.00 0.00 H new ATOM 38 N ASN A 4 -11.474 1.143 3.125 1.00 0.00 N ATOM 39 CA ASN A 4 -11.085 2.253 2.254 1.00 0.00 C ATOM 40 C ASN A 4 -10.250 3.229 3.072 1.00 0.00 C ATOM 41 O ASN A 4 -10.389 4.448 2.967 1.00 0.00 O ATOM 42 CB ASN A 4 -12.298 2.967 1.622 1.00 0.00 C ATOM 43 CG ASN A 4 -13.385 3.349 2.612 1.00 0.00 C ATOM 44 OD1 ASN A 4 -13.300 4.371 3.299 1.00 0.00 O ATOM 45 ND2 ASN A 4 -14.447 2.559 2.649 1.00 0.00 N ATOM 0 H ASN A 4 -11.191 1.279 4.096 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.505 1.855 1.421 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -11.951 3.868 1.116 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.729 2.319 0.859 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -15.231 2.787 3.260 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -14.481 1.722 2.066 1.00 0.00 H new ATOM 52 N MET A 5 -9.354 2.658 3.866 1.00 0.00 N ATOM 53 CA MET A 5 -8.576 3.410 4.839 1.00 0.00 C ATOM 54 C MET A 5 -7.391 4.109 4.184 1.00 0.00 C ATOM 55 O MET A 5 -6.612 3.479 3.469 1.00 0.00 O ATOM 56 CB MET A 5 -8.052 2.465 5.921 1.00 0.00 C ATOM 57 CG MET A 5 -7.483 3.180 7.134 1.00 0.00 C ATOM 58 SD MET A 5 -8.729 4.111 8.046 1.00 0.00 S ATOM 59 CE MET A 5 -7.716 4.860 9.320 1.00 0.00 C ATOM 0 H MET A 5 -9.147 1.659 3.853 1.00 0.00 H new ATOM 0 HA MET A 5 -9.230 4.165 5.276 1.00 0.00 H new ATOM 0 HB2 MET A 5 -8.862 1.811 6.243 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.280 1.827 5.491 1.00 0.00 H new ATOM 0 HG2 MET A 5 -7.024 2.448 7.799 1.00 0.00 H new ATOM 0 HG3 MET A 5 -6.693 3.858 6.812 1.00 0.00 H new ATOM 0 HE1 MET A 5 -8.342 5.471 9.970 1.00 0.00 H new ATOM 0 HE2 MET A 5 -7.235 4.079 9.909 1.00 0.00 H new ATOM 0 HE3 MET A 5 -6.953 5.486 8.857 1.00 0.00 H new ATOM 69 N PRO A 6 -7.230 5.412 4.421 1.00 0.00 N ATOM 70 CA PRO A 6 -6.054 6.143 3.963 1.00 0.00 C ATOM 71 C PRO A 6 -4.807 5.722 4.736 1.00 0.00 C ATOM 72 O PRO A 6 -4.818 5.655 5.967 1.00 0.00 O ATOM 73 CB PRO A 6 -6.400 7.606 4.244 1.00 0.00 C ATOM 74 CG PRO A 6 -7.408 7.558 5.341 1.00 0.00 C ATOM 75 CD PRO A 6 -8.177 6.279 5.149 1.00 0.00 C ATOM 0 HA PRO A 6 -5.829 5.955 2.913 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.517 8.170 4.543 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.804 8.094 3.357 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.923 7.578 6.317 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.072 8.422 5.298 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.471 5.840 6.103 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.091 6.442 4.578 1.00 0.00 H new ATOM 83 N ALA A 7 -3.747 5.411 4.015 1.00 0.00 N ATOM 84 CA ALA A 7 -2.509 4.984 4.643 1.00 0.00 C ATOM 85 C ALA A 7 -1.310 5.631 3.972 1.00 0.00 C ATOM 86 O ALA A 7 -1.156 5.569 2.754 1.00 0.00 O ATOM 87 CB ALA A 7 -2.389 3.470 4.605 1.00 0.00 C ATOM 0 H ALA A 7 -3.717 5.445 2.996 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.528 5.304 5.685 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.456 3.167 5.080 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.229 3.025 5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.396 3.130 3.569 1.00 0.00 H new ATOM 93 N TYR A 8 -0.465 6.241 4.781 1.00 0.00 N ATOM 94 CA TYR A 8 0.721 6.924 4.295 1.00 0.00 C ATOM 95 C TYR A 8 1.848 5.925 4.072 1.00 0.00 C ATOM 96 O TYR A 8 2.061 5.035 4.887 1.00 0.00 O ATOM 97 CB TYR A 8 1.149 7.991 5.304 1.00 0.00 C ATOM 98 CG TYR A 8 0.055 8.988 5.621 1.00 0.00 C ATOM 99 CD1 TYR A 8 -0.624 9.660 4.608 1.00 0.00 C ATOM 100 CD2 TYR A 8 -0.301 9.253 6.935 1.00 0.00 C ATOM 101 CE1 TYR A 8 -1.622 10.569 4.903 1.00 0.00 C ATOM 102 CE2 TYR A 8 -1.294 10.161 7.235 1.00 0.00 C ATOM 103 CZ TYR A 8 -1.951 10.815 6.219 1.00 0.00 C ATOM 104 OH TYR A 8 -2.936 11.724 6.524 1.00 0.00 O ATOM 0 H TYR A 8 -0.580 6.278 5.794 1.00 0.00 H new ATOM 0 HA TYR A 8 0.493 7.405 3.344 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.465 7.503 6.226 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.015 8.525 4.913 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.367 9.468 3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.208 8.739 7.737 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.141 11.083 4.108 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.555 10.358 8.264 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.043 11.777 7.497 1.00 0.00 H new ATOM 114 N VAL A 9 2.554 6.062 2.965 1.00 0.00 N ATOM 115 CA VAL A 9 3.630 5.139 2.638 1.00 0.00 C ATOM 116 C VAL A 9 4.873 5.415 3.476 1.00 0.00 C ATOM 117 O VAL A 9 5.322 6.559 3.595 1.00 0.00 O ATOM 118 CB VAL A 9 3.991 5.192 1.143 1.00 0.00 C ATOM 119 CG1 VAL A 9 5.160 4.267 0.851 1.00 0.00 C ATOM 120 CG2 VAL A 9 2.790 4.811 0.287 1.00 0.00 C ATOM 0 H VAL A 9 2.404 6.801 2.278 1.00 0.00 H new ATOM 0 HA VAL A 9 3.265 4.139 2.870 1.00 0.00 H new ATOM 0 HB VAL A 9 4.281 6.213 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.405 4.314 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.025 4.577 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.890 3.245 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.066 4.855 -0.767 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.471 3.799 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.972 5.506 0.477 1.00 0.00 H new ATOM 130 N LYS A 10 5.420 4.352 4.049 1.00 0.00 N ATOM 131 CA LYS A 10 6.596 4.448 4.907 1.00 0.00 C ATOM 132 C LYS A 10 7.887 4.486 4.103 1.00 0.00 C ATOM 133 O LYS A 10 8.704 5.388 4.272 1.00 0.00 O ATOM 134 CB LYS A 10 6.645 3.265 5.876 1.00 0.00 C ATOM 135 CG LYS A 10 5.690 3.371 7.058 1.00 0.00 C ATOM 136 CD LYS A 10 6.241 4.272 8.160 1.00 0.00 C ATOM 137 CE LYS A 10 6.188 5.742 7.780 1.00 0.00 C ATOM 138 NZ LYS A 10 6.733 6.612 8.853 1.00 0.00 N ATOM 0 H LYS A 10 5.065 3.403 3.934 1.00 0.00 H new ATOM 0 HA LYS A 10 6.510 5.382 5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.420 2.352 5.325 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.662 3.166 6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.732 3.762 6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.503 2.376 7.463 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.670 4.114 9.075 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.272 3.991 8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.754 5.900 6.862 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.157 6.026 7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.679 7.607 8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.177 6.481 9.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.725 6.359 9.035 1.00 0.00 H new ATOM 152 N PHE A 11 8.072 3.503 3.235 1.00 0.00 N ATOM 153 CA PHE A 11 9.319 3.370 2.496 1.00 0.00 C ATOM 154 C PHE A 11 9.049 3.225 1.008 1.00 0.00 C ATOM 155 O PHE A 11 7.943 2.876 0.601 1.00 0.00 O ATOM 156 CB PHE A 11 10.121 2.164 2.996 1.00 0.00 C ATOM 157 CG PHE A 11 10.474 2.231 4.456 1.00 0.00 C ATOM 158 CD1 PHE A 11 11.458 3.097 4.907 1.00 0.00 C ATOM 159 CD2 PHE A 11 9.815 1.431 5.379 1.00 0.00 C ATOM 160 CE1 PHE A 11 11.782 3.163 6.248 1.00 0.00 C ATOM 161 CE2 PHE A 11 10.136 1.494 6.721 1.00 0.00 C ATOM 162 CZ PHE A 11 11.120 2.360 7.157 1.00 0.00 C ATOM 0 H PHE A 11 7.377 2.787 3.025 1.00 0.00 H new ATOM 0 HA PHE A 11 9.903 4.275 2.662 1.00 0.00 H new ATOM 0 HB2 PHE A 11 9.546 1.256 2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.039 2.083 2.414 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.978 3.728 4.201 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.044 0.753 5.045 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.552 3.841 6.586 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.617 0.866 7.430 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.371 2.409 8.206 1.00 0.00 H new ATOM 172 N ASN A 12 10.069 3.494 0.207 1.00 0.00 N ATOM 173 CA ASN A 12 9.962 3.384 -1.242 1.00 0.00 C ATOM 174 C ASN A 12 9.914 1.916 -1.653 1.00 0.00 C ATOM 175 O ASN A 12 10.917 1.207 -1.579 1.00 0.00 O ATOM 176 CB ASN A 12 11.153 4.071 -1.913 1.00 0.00 C ATOM 177 CG ASN A 12 11.003 4.180 -3.420 1.00 0.00 C ATOM 178 OD1 ASN A 12 11.379 3.274 -4.167 1.00 0.00 O ATOM 179 ND2 ASN A 12 10.471 5.301 -3.876 1.00 0.00 N ATOM 0 H ASN A 12 10.987 3.792 0.538 1.00 0.00 H new ATOM 0 HA ASN A 12 9.043 3.875 -1.563 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.274 5.069 -1.492 1.00 0.00 H new ATOM 0 HB3 ASN A 12 12.062 3.516 -1.683 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.359 5.441 -4.880 1.00 0.00 H new ATOM 0 HD22 ASN A 12 10.173 6.026 -3.224 1.00 0.00 H new ATOM 186 N TYR A 13 8.744 1.461 -2.064 1.00 0.00 N ATOM 187 CA TYR A 13 8.567 0.082 -2.489 1.00 0.00 C ATOM 188 C TYR A 13 8.335 0.028 -3.990 1.00 0.00 C ATOM 189 O TYR A 13 7.233 0.290 -4.466 1.00 0.00 O ATOM 190 CB TYR A 13 7.394 -0.565 -1.743 1.00 0.00 C ATOM 191 CG TYR A 13 7.108 -1.998 -2.157 1.00 0.00 C ATOM 192 CD1 TYR A 13 7.951 -3.037 -1.774 1.00 0.00 C ATOM 193 CD2 TYR A 13 5.992 -2.315 -2.930 1.00 0.00 C ATOM 194 CE1 TYR A 13 7.693 -4.343 -2.149 1.00 0.00 C ATOM 195 CE2 TYR A 13 5.729 -3.621 -3.306 1.00 0.00 C ATOM 196 CZ TYR A 13 6.582 -4.630 -2.912 1.00 0.00 C ATOM 197 OH TYR A 13 6.322 -5.933 -3.274 1.00 0.00 O ATOM 0 H TYR A 13 7.898 2.029 -2.113 1.00 0.00 H new ATOM 0 HA TYR A 13 9.472 -0.477 -2.252 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.601 -0.542 -0.673 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.499 0.034 -1.907 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.822 -2.820 -1.173 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.321 -1.528 -3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.360 -5.136 -1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.860 -3.848 -3.905 1.00 0.00 H new ATOM 0 HH TYR A 13 5.949 -5.953 -4.180 1.00 0.00 H new ATOM 207 N MET A 14 9.377 -0.302 -4.730 1.00 0.00 N ATOM 208 CA MET A 14 9.287 -0.373 -6.179 1.00 0.00 C ATOM 209 C MET A 14 8.678 -1.702 -6.595 1.00 0.00 C ATOM 210 O MET A 14 9.312 -2.754 -6.487 1.00 0.00 O ATOM 211 CB MET A 14 10.673 -0.202 -6.806 1.00 0.00 C ATOM 212 CG MET A 14 10.642 -0.002 -8.313 1.00 0.00 C ATOM 213 SD MET A 14 12.292 0.153 -9.033 1.00 0.00 S ATOM 214 CE MET A 14 12.978 1.482 -8.041 1.00 0.00 C ATOM 0 H MET A 14 10.298 -0.526 -4.352 1.00 0.00 H new ATOM 0 HA MET A 14 8.646 0.434 -6.534 1.00 0.00 H new ATOM 0 HB2 MET A 14 11.167 0.653 -6.345 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.276 -1.081 -6.577 1.00 0.00 H new ATOM 0 HG2 MET A 14 10.126 -0.843 -8.776 1.00 0.00 H new ATOM 0 HG3 MET A 14 10.064 0.893 -8.544 1.00 0.00 H new ATOM 0 HE1 MET A 14 13.809 1.943 -8.575 1.00 0.00 H new ATOM 0 HE2 MET A 14 12.208 2.230 -7.853 1.00 0.00 H new ATOM 0 HE3 MET A 14 13.334 1.081 -7.092 1.00 0.00 H new ATOM 224 N ALA A 15 7.437 -1.648 -7.041 1.00 0.00 N ATOM 225 CA ALA A 15 6.720 -2.839 -7.460 1.00 0.00 C ATOM 226 C ALA A 15 6.950 -3.105 -8.943 1.00 0.00 C ATOM 227 O ALA A 15 7.091 -2.166 -9.728 1.00 0.00 O ATOM 228 CB ALA A 15 5.236 -2.688 -7.169 1.00 0.00 C ATOM 0 H ALA A 15 6.900 -0.785 -7.123 1.00 0.00 H new ATOM 0 HA ALA A 15 7.099 -3.691 -6.896 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.709 -3.588 -7.488 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.088 -2.541 -6.099 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.845 -1.827 -7.711 1.00 0.00 H new ATOM 234 N GLU A 16 6.993 -4.375 -9.323 1.00 0.00 N ATOM 235 CA GLU A 16 7.231 -4.743 -10.714 1.00 0.00 C ATOM 236 C GLU A 16 6.048 -5.514 -11.291 1.00 0.00 C ATOM 237 O GLU A 16 5.967 -5.722 -12.503 1.00 0.00 O ATOM 238 CB GLU A 16 8.510 -5.572 -10.849 1.00 0.00 C ATOM 239 CG GLU A 16 9.776 -4.811 -10.492 1.00 0.00 C ATOM 240 CD GLU A 16 11.031 -5.610 -10.775 1.00 0.00 C ATOM 241 OE1 GLU A 16 11.551 -5.526 -11.910 1.00 0.00 O ATOM 242 OE2 GLU A 16 11.501 -6.330 -9.871 1.00 0.00 O ATOM 0 H GLU A 16 6.867 -5.166 -8.691 1.00 0.00 H new ATOM 0 HA GLU A 16 7.351 -3.819 -11.280 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.432 -6.450 -10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.591 -5.933 -11.874 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.807 -3.879 -11.056 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.750 -4.543 -9.436 1.00 0.00 H new ATOM 249 N ARG A 17 5.141 -5.949 -10.427 1.00 0.00 N ATOM 250 CA ARG A 17 3.950 -6.660 -10.871 1.00 0.00 C ATOM 251 C ARG A 17 2.793 -5.669 -11.003 1.00 0.00 C ATOM 252 O ARG A 17 2.665 -4.758 -10.189 1.00 0.00 O ATOM 253 CB ARG A 17 3.602 -7.759 -9.863 1.00 0.00 C ATOM 254 CG ARG A 17 2.887 -8.953 -10.465 1.00 0.00 C ATOM 255 CD ARG A 17 3.797 -9.736 -11.390 1.00 0.00 C ATOM 256 NE ARG A 17 3.139 -10.918 -11.941 1.00 0.00 N ATOM 257 CZ ARG A 17 3.717 -11.751 -12.803 1.00 0.00 C ATOM 258 NH1 ARG A 17 4.980 -11.564 -13.170 1.00 0.00 N ATOM 259 NH2 ARG A 17 3.038 -12.788 -13.279 1.00 0.00 N ATOM 0 H ARG A 17 5.207 -5.822 -9.417 1.00 0.00 H new ATOM 0 HA ARG A 17 4.134 -7.123 -11.841 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.520 -8.102 -9.386 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.976 -7.332 -9.079 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.529 -9.604 -9.668 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.010 -8.613 -11.017 1.00 0.00 H new ATOM 0 HD2 ARG A 17 4.125 -9.091 -12.206 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.691 -10.041 -10.845 1.00 0.00 H new ATOM 0 HE ARG A 17 2.182 -11.116 -11.648 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.510 -10.780 -12.791 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.419 -12.205 -13.831 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.074 -12.945 -12.984 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.480 -13.427 -13.940 1.00 0.00 H new ATOM 273 N GLU A 18 1.959 -5.837 -12.023 1.00 0.00 N ATOM 274 CA GLU A 18 0.865 -4.898 -12.275 1.00 0.00 C ATOM 275 C GLU A 18 -0.198 -5.001 -11.182 1.00 0.00 C ATOM 276 O GLU A 18 -0.962 -4.062 -10.946 1.00 0.00 O ATOM 277 CB GLU A 18 0.233 -5.151 -13.647 1.00 0.00 C ATOM 278 CG GLU A 18 -0.744 -4.068 -14.074 1.00 0.00 C ATOM 279 CD GLU A 18 -1.337 -4.329 -15.439 1.00 0.00 C ATOM 280 OE1 GLU A 18 -0.672 -4.019 -16.450 1.00 0.00 O ATOM 281 OE2 GLU A 18 -2.470 -4.845 -15.511 1.00 0.00 O ATOM 0 H GLU A 18 2.016 -6.609 -12.687 1.00 0.00 H new ATOM 0 HA GLU A 18 1.281 -3.890 -12.265 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.024 -5.231 -14.393 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.285 -6.110 -13.628 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.547 -3.998 -13.340 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.233 -3.105 -14.081 1.00 0.00 H new ATOM 288 N ASP A 19 -0.244 -6.150 -10.515 1.00 0.00 N ATOM 289 CA ASP A 19 -1.152 -6.344 -9.390 1.00 0.00 C ATOM 290 C ASP A 19 -0.482 -5.949 -8.078 1.00 0.00 C ATOM 291 O ASP A 19 -1.030 -6.162 -6.999 1.00 0.00 O ATOM 292 CB ASP A 19 -1.668 -7.788 -9.323 1.00 0.00 C ATOM 293 CG ASP A 19 -0.566 -8.826 -9.352 1.00 0.00 C ATOM 294 OD1 ASP A 19 -0.194 -9.262 -10.463 1.00 0.00 O ATOM 295 OD2 ASP A 19 -0.087 -9.228 -8.274 1.00 0.00 O ATOM 0 H ASP A 19 0.336 -6.960 -10.734 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.012 -5.693 -9.547 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.252 -7.915 -8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.343 -7.963 -10.161 1.00 0.00 H new ATOM 300 N GLU A 20 0.699 -5.361 -8.181 1.00 0.00 N ATOM 301 CA GLU A 20 1.357 -4.761 -7.032 1.00 0.00 C ATOM 302 C GLU A 20 1.137 -3.258 -7.051 1.00 0.00 C ATOM 303 O GLU A 20 0.663 -2.701 -8.044 1.00 0.00 O ATOM 304 CB GLU A 20 2.857 -5.028 -7.032 1.00 0.00 C ATOM 305 CG GLU A 20 3.251 -6.439 -6.666 1.00 0.00 C ATOM 306 CD GLU A 20 4.757 -6.614 -6.657 1.00 0.00 C ATOM 307 OE1 GLU A 20 5.409 -6.283 -7.672 1.00 0.00 O ATOM 308 OE2 GLU A 20 5.302 -7.061 -5.629 1.00 0.00 O ATOM 0 H GLU A 20 1.223 -5.286 -9.053 1.00 0.00 H new ATOM 0 HA GLU A 20 0.925 -5.209 -6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.252 -4.801 -8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.334 -4.340 -6.334 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.850 -6.686 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 20 2.807 -7.137 -7.376 1.00 0.00 H new ATOM 315 N LEU A 21 1.489 -2.604 -5.963 1.00 0.00 N ATOM 316 CA LEU A 21 1.419 -1.160 -5.892 1.00 0.00 C ATOM 317 C LEU A 21 2.781 -0.604 -5.492 1.00 0.00 C ATOM 318 O LEU A 21 3.250 -0.846 -4.379 1.00 0.00 O ATOM 319 CB LEU A 21 0.356 -0.741 -4.880 1.00 0.00 C ATOM 320 CG LEU A 21 -0.379 0.563 -5.179 1.00 0.00 C ATOM 321 CD1 LEU A 21 -1.403 0.854 -4.101 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.581 1.735 -5.311 1.00 0.00 C ATOM 0 H LEU A 21 1.828 -3.053 -5.112 1.00 0.00 H new ATOM 0 HA LEU A 21 1.146 -0.761 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.381 -1.541 -4.805 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.829 -0.652 -3.902 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.888 0.437 -6.135 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.917 1.787 -4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.128 0.041 -4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.901 0.943 -3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.018 2.644 -5.524 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.133 1.860 -4.380 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.280 1.543 -6.125 1.00 0.00 H new ATOM 334 N SER A 22 3.432 0.108 -6.403 1.00 0.00 N ATOM 335 CA SER A 22 4.712 0.717 -6.095 1.00 0.00 C ATOM 336 C SER A 22 4.507 1.890 -5.148 1.00 0.00 C ATOM 337 O SER A 22 3.997 2.942 -5.536 1.00 0.00 O ATOM 338 CB SER A 22 5.425 1.162 -7.365 1.00 0.00 C ATOM 339 OG SER A 22 6.772 1.520 -7.097 1.00 0.00 O ATOM 0 H SER A 22 3.096 0.275 -7.351 1.00 0.00 H new ATOM 0 HA SER A 22 5.345 -0.024 -5.607 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.399 0.358 -8.101 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.900 2.011 -7.802 1.00 0.00 H new ATOM 0 HG SER A 22 7.010 1.241 -6.188 1.00 0.00 H new ATOM 345 N LEU A 23 4.892 1.692 -3.903 1.00 0.00 N ATOM 346 CA LEU A 23 4.658 2.674 -2.868 1.00 0.00 C ATOM 347 C LEU A 23 5.785 3.691 -2.825 1.00 0.00 C ATOM 348 O LEU A 23 6.960 3.343 -2.943 1.00 0.00 O ATOM 349 CB LEU A 23 4.514 1.985 -1.512 1.00 0.00 C ATOM 350 CG LEU A 23 3.375 0.973 -1.411 1.00 0.00 C ATOM 351 CD1 LEU A 23 3.310 0.402 -0.006 1.00 0.00 C ATOM 352 CD2 LEU A 23 2.044 1.615 -1.789 1.00 0.00 C ATOM 0 H LEU A 23 5.373 0.851 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 23 3.732 3.201 -3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.450 1.478 -1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.368 2.749 -0.749 1.00 0.00 H new ATOM 0 HG LEU A 23 3.569 0.162 -2.112 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.495 -0.319 0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.252 -0.094 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.137 1.208 0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.248 0.875 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.836 2.446 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.096 1.984 -2.813 1.00 0.00 H new ATOM 364 N ILE A 24 5.420 4.949 -2.658 1.00 0.00 N ATOM 365 CA ILE A 24 6.382 6.026 -2.600 1.00 0.00 C ATOM 366 C ILE A 24 6.362 6.656 -1.223 1.00 0.00 C ATOM 367 O ILE A 24 5.324 7.156 -0.788 1.00 0.00 O ATOM 368 CB ILE A 24 6.064 7.121 -3.640 1.00 0.00 C ATOM 369 CG1 ILE A 24 6.109 6.549 -5.060 1.00 0.00 C ATOM 370 CG2 ILE A 24 7.018 8.302 -3.485 1.00 0.00 C ATOM 371 CD1 ILE A 24 7.456 5.984 -5.457 1.00 0.00 C ATOM 0 H ILE A 24 4.450 5.249 -2.559 1.00 0.00 H new ATOM 0 HA ILE A 24 7.363 5.604 -2.817 1.00 0.00 H new ATOM 0 HB ILE A 24 5.052 7.485 -3.462 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.358 5.764 -5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.834 7.334 -5.765 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.778 9.064 -4.227 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.915 8.724 -2.485 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.043 7.963 -3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.403 5.599 -6.476 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.210 6.769 -5.404 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.726 5.176 -4.778 1.00 0.00 H new ATOM 383 N LYS A 25 7.484 6.612 -0.532 1.00 0.00 N ATOM 384 CA LYS A 25 7.598 7.291 0.748 1.00 0.00 C ATOM 385 C LYS A 25 7.160 8.741 0.584 1.00 0.00 C ATOM 386 O LYS A 25 7.731 9.482 -0.218 1.00 0.00 O ATOM 387 CB LYS A 25 9.039 7.227 1.253 1.00 0.00 C ATOM 388 CG LYS A 25 9.268 7.965 2.563 1.00 0.00 C ATOM 389 CD LYS A 25 10.717 7.862 3.011 1.00 0.00 C ATOM 390 CE LYS A 25 10.952 8.593 4.320 1.00 0.00 C ATOM 391 NZ LYS A 25 12.364 8.485 4.766 1.00 0.00 N ATOM 0 H LYS A 25 8.325 6.118 -0.830 1.00 0.00 H new ATOM 0 HA LYS A 25 6.957 6.799 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.322 6.182 1.382 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.699 7.644 0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.996 9.014 2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.617 7.552 3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.989 6.813 3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.367 8.277 2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.687 9.644 4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.296 8.183 5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.485 8.997 5.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.609 7.484 4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.989 8.899 4.045 1.00 0.00 H new ATOM 405 N GLY A 26 6.142 9.136 1.330 1.00 0.00 N ATOM 406 CA GLY A 26 5.625 10.479 1.202 1.00 0.00 C ATOM 407 C GLY A 26 4.230 10.531 0.595 1.00 0.00 C ATOM 408 O GLY A 26 3.593 11.585 0.594 1.00 0.00 O ATOM 0 H GLY A 26 5.666 8.553 2.019 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.604 10.948 2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.305 11.065 0.584 1.00 0.00 H new ATOM 412 N THR A 27 3.752 9.408 0.069 1.00 0.00 N ATOM 413 CA THR A 27 2.434 9.370 -0.557 1.00 0.00 C ATOM 414 C THR A 27 1.418 8.661 0.338 1.00 0.00 C ATOM 415 O THR A 27 1.771 8.151 1.401 1.00 0.00 O ATOM 416 CB THR A 27 2.484 8.686 -1.943 1.00 0.00 C ATOM 417 OG1 THR A 27 2.944 7.334 -1.823 1.00 0.00 O ATOM 418 CG2 THR A 27 3.399 9.448 -2.888 1.00 0.00 C ATOM 0 H THR A 27 4.252 8.519 0.063 1.00 0.00 H new ATOM 0 HA THR A 27 2.116 10.403 -0.696 1.00 0.00 H new ATOM 0 HB THR A 27 1.473 8.686 -2.350 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.871 7.331 -1.505 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.419 8.949 -3.857 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.028 10.466 -3.012 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.407 9.477 -2.474 1.00 0.00 H new ATOM 426 N LYS A 28 0.163 8.634 -0.097 1.00 0.00 N ATOM 427 CA LYS A 28 -0.913 8.026 0.681 1.00 0.00 C ATOM 428 C LYS A 28 -1.770 7.124 -0.206 1.00 0.00 C ATOM 429 O LYS A 28 -2.232 7.554 -1.259 1.00 0.00 O ATOM 430 CB LYS A 28 -1.797 9.112 1.298 1.00 0.00 C ATOM 431 CG LYS A 28 -2.942 8.565 2.137 1.00 0.00 C ATOM 432 CD LYS A 28 -4.218 9.373 1.937 1.00 0.00 C ATOM 433 CE LYS A 28 -4.717 9.278 0.501 1.00 0.00 C ATOM 434 NZ LYS A 28 -5.948 10.082 0.278 1.00 0.00 N ATOM 0 H LYS A 28 -0.136 9.028 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.464 7.428 1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.180 9.760 1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.207 9.731 0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.124 7.524 1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.662 8.580 3.190 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.990 9.011 2.617 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.033 10.417 2.191 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.935 9.620 -0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.917 8.235 0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.250 9.987 -0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.704 9.740 0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.752 11.082 0.485 1.00 0.00 H new ATOM 448 N VAL A 29 -1.996 5.890 0.223 1.00 0.00 N ATOM 449 CA VAL A 29 -2.794 4.947 -0.552 1.00 0.00 C ATOM 450 C VAL A 29 -4.113 4.652 0.164 1.00 0.00 C ATOM 451 O VAL A 29 -4.302 5.051 1.314 1.00 0.00 O ATOM 452 CB VAL A 29 -2.027 3.625 -0.812 1.00 0.00 C ATOM 453 CG1 VAL A 29 -0.573 3.914 -1.160 1.00 0.00 C ATOM 454 CG2 VAL A 29 -2.111 2.686 0.386 1.00 0.00 C ATOM 0 H VAL A 29 -1.639 5.518 1.103 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.002 5.410 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.500 3.127 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.048 2.976 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.529 4.532 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.099 4.442 -0.333 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.563 1.769 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.676 3.171 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.155 2.445 0.587 1.00 0.00 H new ATOM 464 N ILE A 30 -5.020 3.969 -0.522 1.00 0.00 N ATOM 465 CA ILE A 30 -6.318 3.613 0.042 1.00 0.00 C ATOM 466 C ILE A 30 -6.402 2.105 0.280 1.00 0.00 C ATOM 467 O ILE A 30 -6.501 1.334 -0.672 1.00 0.00 O ATOM 468 CB ILE A 30 -7.466 4.024 -0.906 1.00 0.00 C ATOM 469 CG1 ILE A 30 -7.368 5.507 -1.258 1.00 0.00 C ATOM 470 CG2 ILE A 30 -8.821 3.709 -0.286 1.00 0.00 C ATOM 471 CD1 ILE A 30 -7.609 6.435 -0.085 1.00 0.00 C ATOM 0 H ILE A 30 -4.879 3.647 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.420 4.146 0.987 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.370 3.445 -1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.379 5.708 -1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.091 5.733 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.613 4.007 -0.972 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.893 2.639 -0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.928 4.255 0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.522 7.470 -0.416 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.609 6.265 0.314 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.870 6.239 0.692 1.00 0.00 H new ATOM 483 N VAL A 31 -6.365 1.689 1.537 1.00 0.00 N ATOM 484 CA VAL A 31 -6.425 0.268 1.877 1.00 0.00 C ATOM 485 C VAL A 31 -7.871 -0.194 2.019 1.00 0.00 C ATOM 486 O VAL A 31 -8.582 0.232 2.927 1.00 0.00 O ATOM 487 CB VAL A 31 -5.693 -0.060 3.197 1.00 0.00 C ATOM 488 CG1 VAL A 31 -5.559 -1.566 3.355 1.00 0.00 C ATOM 489 CG2 VAL A 31 -4.331 0.608 3.258 1.00 0.00 C ATOM 0 H VAL A 31 -6.294 2.312 2.341 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.929 -0.254 1.059 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.287 0.333 4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.042 -1.789 4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.550 -2.020 3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.989 -1.970 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.844 0.356 4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.717 0.259 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.453 1.689 3.191 1.00 0.00 H new ATOM 499 N MET A 32 -8.299 -1.076 1.133 1.00 0.00 N ATOM 500 CA MET A 32 -9.659 -1.584 1.164 1.00 0.00 C ATOM 501 C MET A 32 -9.709 -2.962 1.816 1.00 0.00 C ATOM 502 O MET A 32 -10.444 -3.185 2.775 1.00 0.00 O ATOM 503 CB MET A 32 -10.212 -1.657 -0.253 1.00 0.00 C ATOM 504 CG MET A 32 -10.497 -0.296 -0.863 1.00 0.00 C ATOM 505 SD MET A 32 -10.622 -0.361 -2.656 1.00 0.00 S ATOM 506 CE MET A 32 -8.979 -0.948 -3.052 1.00 0.00 C ATOM 0 H MET A 32 -7.723 -1.456 0.382 1.00 0.00 H new ATOM 0 HA MET A 32 -10.270 -0.904 1.757 1.00 0.00 H new ATOM 0 HB2 MET A 32 -9.500 -2.188 -0.885 1.00 0.00 H new ATOM 0 HB3 MET A 32 -11.131 -2.243 -0.246 1.00 0.00 H new ATOM 0 HG2 MET A 32 -11.427 0.096 -0.451 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.705 0.398 -0.582 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.596 -0.403 -3.915 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.320 -0.787 -2.199 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.019 -2.012 -3.284 1.00 0.00 H new ATOM 516 N GLU A 33 -8.908 -3.879 1.295 1.00 0.00 N ATOM 517 CA GLU A 33 -8.854 -5.233 1.824 1.00 0.00 C ATOM 518 C GLU A 33 -7.515 -5.465 2.515 1.00 0.00 C ATOM 519 O GLU A 33 -6.478 -4.992 2.048 1.00 0.00 O ATOM 520 CB GLU A 33 -9.064 -6.253 0.697 1.00 0.00 C ATOM 521 CG GLU A 33 -8.911 -7.697 1.137 1.00 0.00 C ATOM 522 CD GLU A 33 -10.009 -8.148 2.077 1.00 0.00 C ATOM 523 OE1 GLU A 33 -10.078 -7.636 3.218 1.00 0.00 O ATOM 524 OE2 GLU A 33 -10.793 -9.037 1.683 1.00 0.00 O ATOM 0 H GLU A 33 -8.285 -3.710 0.505 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.652 -5.362 2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.060 -6.115 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.350 -6.049 -0.101 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.906 -8.341 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.946 -7.821 1.628 1.00 0.00 H new ATOM 531 N LYS A 34 -7.534 -6.187 3.624 1.00 0.00 N ATOM 532 CA LYS A 34 -6.320 -6.418 4.390 1.00 0.00 C ATOM 533 C LYS A 34 -6.123 -7.889 4.720 1.00 0.00 C ATOM 534 O LYS A 34 -6.979 -8.520 5.344 1.00 0.00 O ATOM 535 CB LYS A 34 -6.334 -5.637 5.704 1.00 0.00 C ATOM 536 CG LYS A 34 -6.336 -4.132 5.558 1.00 0.00 C ATOM 537 CD LYS A 34 -6.114 -3.483 6.911 1.00 0.00 C ATOM 538 CE LYS A 34 -6.004 -1.981 6.816 1.00 0.00 C ATOM 539 NZ LYS A 34 -5.833 -1.372 8.160 1.00 0.00 N ATOM 0 H LYS A 34 -8.372 -6.621 4.012 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.500 -6.076 3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.215 -5.932 6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.463 -5.928 6.291 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.554 -3.824 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.285 -3.800 5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.938 -3.743 7.576 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.205 -3.884 7.359 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.158 -1.714 6.182 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.898 -1.577 6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.946 -0.341 8.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.549 -1.756 8.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.884 -1.592 8.523 1.00 0.00 H new ATOM 553 N CYS A 35 -4.995 -8.431 4.302 1.00 0.00 N ATOM 554 CA CYS A 35 -4.532 -9.696 4.829 1.00 0.00 C ATOM 555 C CYS A 35 -3.495 -9.393 5.900 1.00 0.00 C ATOM 556 O CYS A 35 -2.367 -9.018 5.587 1.00 0.00 O ATOM 557 CB CYS A 35 -3.936 -10.571 3.721 1.00 0.00 C ATOM 558 SG CYS A 35 -5.065 -10.878 2.342 1.00 0.00 S ATOM 0 H CYS A 35 -4.384 -8.014 3.600 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.366 -10.254 5.255 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.034 -10.093 3.340 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.633 -11.526 4.149 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.474 -11.623 1.455 1.00 0.00 H new ATOM 564 N SER A 36 -3.909 -9.498 7.160 1.00 0.00 N ATOM 565 CA SER A 36 -3.074 -9.106 8.292 1.00 0.00 C ATOM 566 C SER A 36 -1.701 -9.765 8.215 1.00 0.00 C ATOM 567 O SER A 36 -0.675 -9.128 8.461 1.00 0.00 O ATOM 568 CB SER A 36 -3.777 -9.487 9.589 1.00 0.00 C ATOM 569 OG SER A 36 -5.140 -9.090 9.557 1.00 0.00 O ATOM 0 H SER A 36 -4.827 -9.855 7.424 1.00 0.00 H new ATOM 0 HA SER A 36 -2.923 -8.027 8.263 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.710 -10.564 9.742 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.275 -9.014 10.433 1.00 0.00 H new ATOM 0 HG SER A 36 -5.575 -9.345 10.398 1.00 0.00 H new ATOM 575 N ASP A 37 -1.690 -11.040 7.868 1.00 0.00 N ATOM 576 CA ASP A 37 -0.444 -11.752 7.643 1.00 0.00 C ATOM 577 C ASP A 37 -0.177 -11.868 6.147 1.00 0.00 C ATOM 578 O ASP A 37 -0.612 -12.823 5.498 1.00 0.00 O ATOM 579 CB ASP A 37 -0.488 -13.137 8.294 1.00 0.00 C ATOM 580 CG ASP A 37 0.759 -13.954 8.018 1.00 0.00 C ATOM 581 OD1 ASP A 37 1.840 -13.580 8.519 1.00 0.00 O ATOM 582 OD2 ASP A 37 0.660 -14.974 7.296 1.00 0.00 O ATOM 0 H ASP A 37 -2.530 -11.604 7.736 1.00 0.00 H new ATOM 0 HA ASP A 37 0.370 -11.191 8.102 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.612 -13.024 9.371 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.360 -13.678 7.928 1.00 0.00 H new ATOM 587 N GLY A 38 0.493 -10.865 5.593 1.00 0.00 N ATOM 588 CA GLY A 38 0.820 -10.888 4.183 1.00 0.00 C ATOM 589 C GLY A 38 0.602 -9.554 3.494 1.00 0.00 C ATOM 590 O GLY A 38 1.087 -8.515 3.953 1.00 0.00 O ATOM 0 H GLY A 38 0.815 -10.038 6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.862 -11.185 4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.214 -11.647 3.689 1.00 0.00 H new ATOM 594 N TRP A 39 -0.144 -9.587 2.398 1.00 0.00 N ATOM 595 CA TRP A 39 -0.311 -8.422 1.537 1.00 0.00 C ATOM 596 C TRP A 39 -1.595 -7.657 1.856 1.00 0.00 C ATOM 597 O TRP A 39 -2.609 -8.243 2.234 1.00 0.00 O ATOM 598 CB TRP A 39 -0.348 -8.857 0.068 1.00 0.00 C ATOM 599 CG TRP A 39 0.910 -9.516 -0.415 1.00 0.00 C ATOM 600 CD1 TRP A 39 1.285 -10.816 -0.224 1.00 0.00 C ATOM 601 CD2 TRP A 39 1.945 -8.913 -1.198 1.00 0.00 C ATOM 602 NE1 TRP A 39 2.497 -11.050 -0.827 1.00 0.00 N ATOM 603 CE2 TRP A 39 2.921 -9.898 -1.433 1.00 0.00 C ATOM 604 CE3 TRP A 39 2.141 -7.634 -1.718 1.00 0.00 C ATOM 605 CZ2 TRP A 39 4.073 -9.641 -2.169 1.00 0.00 C ATOM 606 CZ3 TRP A 39 3.285 -7.379 -2.448 1.00 0.00 C ATOM 607 CH2 TRP A 39 4.238 -8.379 -2.668 1.00 0.00 C ATOM 0 H TRP A 39 -0.648 -10.416 2.081 1.00 0.00 H new ATOM 0 HA TRP A 39 0.538 -7.763 1.717 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -1.182 -9.545 -0.074 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -0.547 -7.983 -0.552 1.00 0.00 H new ATOM 0 HD1 TRP A 39 0.712 -11.552 0.321 1.00 0.00 H new ATOM 0 HE1 TRP A 39 2.999 -11.938 -0.824 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.410 -6.856 -1.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 4.811 -10.411 -2.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.447 -6.392 -2.856 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.122 -8.149 -3.244 1.00 0.00 H new ATOM 618 N TRP A 40 -1.542 -6.343 1.699 1.00 0.00 N ATOM 619 CA TRP A 40 -2.730 -5.508 1.787 1.00 0.00 C ATOM 620 C TRP A 40 -3.156 -5.070 0.394 1.00 0.00 C ATOM 621 O TRP A 40 -2.315 -4.800 -0.465 1.00 0.00 O ATOM 622 CB TRP A 40 -2.483 -4.286 2.679 1.00 0.00 C ATOM 623 CG TRP A 40 -2.583 -4.583 4.145 1.00 0.00 C ATOM 624 CD1 TRP A 40 -2.794 -5.800 4.718 1.00 0.00 C ATOM 625 CD2 TRP A 40 -2.490 -3.646 5.224 1.00 0.00 C ATOM 626 NE1 TRP A 40 -2.829 -5.686 6.084 1.00 0.00 N ATOM 627 CE2 TRP A 40 -2.646 -4.373 6.422 1.00 0.00 C ATOM 628 CE3 TRP A 40 -2.289 -2.267 5.298 1.00 0.00 C ATOM 629 CZ2 TRP A 40 -2.605 -3.767 7.671 1.00 0.00 C ATOM 630 CZ3 TRP A 40 -2.250 -1.667 6.541 1.00 0.00 C ATOM 631 CH2 TRP A 40 -2.407 -2.417 7.712 1.00 0.00 C ATOM 0 H TRP A 40 -0.682 -5.829 1.509 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.530 -6.094 2.239 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.492 -3.885 2.465 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.204 -3.509 2.424 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.917 -6.725 4.173 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.969 -6.454 6.740 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.166 -1.680 4.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.725 -4.343 8.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.096 -0.600 6.611 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.371 -1.917 8.669 1.00 0.00 H new ATOM 642 N ARG A 41 -4.456 -5.012 0.174 1.00 0.00 N ATOM 643 CA ARG A 41 -4.994 -4.667 -1.128 1.00 0.00 C ATOM 644 C ARG A 41 -5.459 -3.217 -1.126 1.00 0.00 C ATOM 645 O ARG A 41 -6.497 -2.883 -0.539 1.00 0.00 O ATOM 646 CB ARG A 41 -6.154 -5.598 -1.471 1.00 0.00 C ATOM 647 CG ARG A 41 -6.564 -5.575 -2.933 1.00 0.00 C ATOM 648 CD ARG A 41 -7.720 -6.530 -3.183 1.00 0.00 C ATOM 649 NE ARG A 41 -7.999 -6.707 -4.609 1.00 0.00 N ATOM 650 CZ ARG A 41 -8.961 -7.494 -5.092 1.00 0.00 C ATOM 651 NH1 ARG A 41 -9.760 -8.165 -4.265 1.00 0.00 N ATOM 652 NH2 ARG A 41 -9.118 -7.616 -6.407 1.00 0.00 N ATOM 0 H ARG A 41 -5.163 -5.201 0.885 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.217 -4.784 -1.883 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.879 -6.617 -1.199 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.015 -5.326 -0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.853 -4.564 -3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.715 -5.852 -3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.491 -7.498 -2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.613 -6.153 -2.685 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.421 -6.196 -5.276 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.638 -8.079 -3.256 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.494 -8.765 -4.640 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.503 -7.108 -7.043 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.853 -8.217 -6.779 1.00 0.00 H new ATOM 666 N GLY A 42 -4.691 -2.361 -1.773 1.00 0.00 N ATOM 667 CA GLY A 42 -4.993 -0.951 -1.760 1.00 0.00 C ATOM 668 C GLY A 42 -4.926 -0.329 -3.135 1.00 0.00 C ATOM 669 O GLY A 42 -4.378 -0.916 -4.065 1.00 0.00 O ATOM 0 H GLY A 42 -3.862 -2.618 -2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.990 -0.801 -1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.293 -0.439 -1.100 1.00 0.00 H new ATOM 673 N SER A 43 -5.493 0.855 -3.262 1.00 0.00 N ATOM 674 CA SER A 43 -5.465 1.590 -4.510 1.00 0.00 C ATOM 675 C SER A 43 -4.873 2.973 -4.288 1.00 0.00 C ATOM 676 O SER A 43 -5.081 3.588 -3.242 1.00 0.00 O ATOM 677 CB SER A 43 -6.871 1.689 -5.109 1.00 0.00 C ATOM 678 OG SER A 43 -6.986 2.771 -6.019 1.00 0.00 O ATOM 0 H SER A 43 -5.984 1.332 -2.506 1.00 0.00 H new ATOM 0 HA SER A 43 -4.835 1.053 -5.219 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.113 0.758 -5.621 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.599 1.811 -4.307 1.00 0.00 H new ATOM 0 HG SER A 43 -7.896 2.799 -6.380 1.00 0.00 H new ATOM 684 N TYR A 44 -4.111 3.437 -5.257 1.00 0.00 N ATOM 685 CA TYR A 44 -3.534 4.765 -5.204 1.00 0.00 C ATOM 686 C TYR A 44 -3.673 5.430 -6.569 1.00 0.00 C ATOM 687 O TYR A 44 -3.277 4.854 -7.587 1.00 0.00 O ATOM 688 CB TYR A 44 -2.066 4.690 -4.764 1.00 0.00 C ATOM 689 CG TYR A 44 -1.405 6.038 -4.587 1.00 0.00 C ATOM 690 CD1 TYR A 44 -2.151 7.164 -4.270 1.00 0.00 C ATOM 691 CD2 TYR A 44 -0.034 6.181 -4.736 1.00 0.00 C ATOM 692 CE1 TYR A 44 -1.553 8.397 -4.112 1.00 0.00 C ATOM 693 CE2 TYR A 44 0.573 7.411 -4.577 1.00 0.00 C ATOM 694 CZ TYR A 44 -0.192 8.516 -4.265 1.00 0.00 C ATOM 695 OH TYR A 44 0.407 9.745 -4.109 1.00 0.00 O ATOM 0 H TYR A 44 -3.875 2.909 -6.097 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.067 5.368 -4.469 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.007 4.142 -3.823 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.505 4.117 -5.502 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.220 7.073 -4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.568 5.318 -4.980 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.150 9.264 -3.870 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.642 7.508 -4.696 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.106 10.280 -3.468 1.00 0.00 H new ATOM 705 N ASN A 45 -4.257 6.627 -6.574 1.00 0.00 N ATOM 706 CA ASN A 45 -4.567 7.360 -7.804 1.00 0.00 C ATOM 707 C ASN A 45 -5.639 6.627 -8.600 1.00 0.00 C ATOM 708 O ASN A 45 -6.836 6.837 -8.398 1.00 0.00 O ATOM 709 CB ASN A 45 -3.316 7.579 -8.667 1.00 0.00 C ATOM 710 CG ASN A 45 -3.592 8.421 -9.901 1.00 0.00 C ATOM 711 OD1 ASN A 45 -4.403 9.350 -9.869 1.00 0.00 O ATOM 712 ND2 ASN A 45 -2.937 8.090 -11.004 1.00 0.00 N ATOM 0 H ASN A 45 -4.530 7.119 -5.723 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.944 8.342 -7.517 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.546 8.064 -8.067 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.918 6.612 -8.974 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.096 8.610 -11.867 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.274 7.315 -10.990 1.00 0.00 H new ATOM 719 N GLY A 46 -5.198 5.760 -9.484 1.00 0.00 N ATOM 720 CA GLY A 46 -6.112 4.956 -10.265 1.00 0.00 C ATOM 721 C GLY A 46 -5.689 3.505 -10.316 1.00 0.00 C ATOM 722 O GLY A 46 -6.396 2.665 -10.872 1.00 0.00 O ATOM 0 H GLY A 46 -4.211 5.593 -9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.113 5.027 -9.838 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.169 5.353 -11.279 1.00 0.00 H new ATOM 726 N GLN A 47 -4.544 3.203 -9.716 1.00 0.00 N ATOM 727 CA GLN A 47 -4.002 1.855 -9.744 1.00 0.00 C ATOM 728 C GLN A 47 -4.287 1.145 -8.432 1.00 0.00 C ATOM 729 O GLN A 47 -4.004 1.673 -7.357 1.00 0.00 O ATOM 730 CB GLN A 47 -2.486 1.862 -9.988 1.00 0.00 C ATOM 731 CG GLN A 47 -2.035 2.726 -11.155 1.00 0.00 C ATOM 732 CD GLN A 47 -1.726 4.155 -10.747 1.00 0.00 C ATOM 733 OE1 GLN A 47 -2.596 5.027 -10.775 1.00 0.00 O ATOM 734 NE2 GLN A 47 -0.484 4.403 -10.357 1.00 0.00 N ATOM 0 H GLN A 47 -3.974 3.876 -9.204 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.486 1.328 -10.566 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.987 2.209 -9.083 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.155 0.838 -10.162 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.148 2.283 -11.607 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.813 2.732 -11.918 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.207 3.653 -10.348 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.219 5.344 -10.066 1.00 0.00 H new ATOM 743 N VAL A 48 -4.853 -0.046 -8.520 1.00 0.00 N ATOM 744 CA VAL A 48 -5.103 -0.855 -7.339 1.00 0.00 C ATOM 745 C VAL A 48 -4.137 -2.032 -7.329 1.00 0.00 C ATOM 746 O VAL A 48 -3.587 -2.396 -8.370 1.00 0.00 O ATOM 747 CB VAL A 48 -6.554 -1.396 -7.308 1.00 0.00 C ATOM 748 CG1 VAL A 48 -6.689 -2.602 -8.226 1.00 0.00 C ATOM 749 CG2 VAL A 48 -6.986 -1.751 -5.887 1.00 0.00 C ATOM 0 H VAL A 48 -5.148 -0.475 -9.397 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.958 -0.224 -6.462 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.214 -0.607 -7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.714 -2.971 -8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.440 -2.312 -9.247 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.010 -3.388 -7.896 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.009 -2.127 -5.901 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.323 -2.517 -5.486 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.935 -0.862 -5.258 1.00 0.00 H new ATOM 759 N GLY A 49 -3.923 -2.621 -6.171 1.00 0.00 N ATOM 760 CA GLY A 49 -3.144 -3.833 -6.117 1.00 0.00 C ATOM 761 C GLY A 49 -2.677 -4.172 -4.718 1.00 0.00 C ATOM 762 O GLY A 49 -3.234 -3.684 -3.735 1.00 0.00 O ATOM 0 H GLY A 49 -4.271 -2.286 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.739 -4.659 -6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.277 -3.731 -6.769 1.00 0.00 H new ATOM 766 N TRP A 50 -1.663 -5.015 -4.629 1.00 0.00 N ATOM 767 CA TRP A 50 -1.199 -5.518 -3.350 1.00 0.00 C ATOM 768 C TRP A 50 0.118 -4.877 -2.944 1.00 0.00 C ATOM 769 O TRP A 50 0.984 -4.619 -3.781 1.00 0.00 O ATOM 770 CB TRP A 50 -1.039 -7.038 -3.418 1.00 0.00 C ATOM 771 CG TRP A 50 -2.294 -7.740 -3.836 1.00 0.00 C ATOM 772 CD1 TRP A 50 -2.705 -7.993 -5.113 1.00 0.00 C ATOM 773 CD2 TRP A 50 -3.306 -8.275 -2.976 1.00 0.00 C ATOM 774 NE1 TRP A 50 -3.910 -8.650 -5.100 1.00 0.00 N ATOM 775 CE2 TRP A 50 -4.299 -8.838 -3.801 1.00 0.00 C ATOM 776 CE3 TRP A 50 -3.468 -8.336 -1.590 1.00 0.00 C ATOM 777 CZ2 TRP A 50 -5.438 -9.449 -3.282 1.00 0.00 C ATOM 778 CZ3 TRP A 50 -4.599 -8.944 -1.077 1.00 0.00 C ATOM 779 CH2 TRP A 50 -5.570 -9.494 -1.921 1.00 0.00 C ATOM 0 H TRP A 50 -1.143 -5.367 -5.433 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.943 -5.261 -2.597 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.241 -7.283 -4.119 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.730 -7.409 -2.441 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -2.161 -7.716 -6.004 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.431 -8.949 -5.924 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.723 -7.916 -0.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.190 -9.872 -3.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.735 -8.995 -0.007 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.441 -9.964 -1.489 1.00 0.00 H new ATOM 790 N PHE A 51 0.252 -4.612 -1.657 1.00 0.00 N ATOM 791 CA PHE A 51 1.492 -4.101 -1.102 1.00 0.00 C ATOM 792 C PHE A 51 1.711 -4.703 0.284 1.00 0.00 C ATOM 793 O PHE A 51 0.748 -5.043 0.971 1.00 0.00 O ATOM 794 CB PHE A 51 1.464 -2.566 -1.033 1.00 0.00 C ATOM 795 CG PHE A 51 0.401 -1.999 -0.127 1.00 0.00 C ATOM 796 CD1 PHE A 51 0.639 -1.857 1.231 1.00 0.00 C ATOM 797 CD2 PHE A 51 -0.829 -1.604 -0.630 1.00 0.00 C ATOM 798 CE1 PHE A 51 -0.327 -1.340 2.066 1.00 0.00 C ATOM 799 CE2 PHE A 51 -1.798 -1.083 0.204 1.00 0.00 C ATOM 800 CZ PHE A 51 -1.545 -0.952 1.554 1.00 0.00 C ATOM 0 H PHE A 51 -0.491 -4.744 -0.971 1.00 0.00 H new ATOM 0 HA PHE A 51 2.320 -4.388 -1.750 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.438 -2.213 -0.695 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.314 -2.173 -2.038 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.593 -2.155 1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.031 -1.705 -1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.129 -1.239 3.123 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.752 -0.779 -0.200 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.302 -0.545 2.209 1.00 0.00 H new ATOM 810 N PRO A 52 2.974 -4.876 0.702 1.00 0.00 N ATOM 811 CA PRO A 52 3.298 -5.393 2.032 1.00 0.00 C ATOM 812 C PRO A 52 2.819 -4.453 3.137 1.00 0.00 C ATOM 813 O PRO A 52 3.036 -3.238 3.080 1.00 0.00 O ATOM 814 CB PRO A 52 4.826 -5.496 2.031 1.00 0.00 C ATOM 815 CG PRO A 52 5.222 -5.438 0.596 1.00 0.00 C ATOM 816 CD PRO A 52 4.183 -4.596 -0.084 1.00 0.00 C ATOM 0 HA PRO A 52 2.808 -6.347 2.229 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.276 -4.680 2.597 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.158 -6.425 2.494 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.214 -5.001 0.482 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.261 -6.437 0.161 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.443 -3.538 -0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.059 -4.874 -1.131 1.00 0.00 H new ATOM 824 N SER A 53 2.188 -5.029 4.150 1.00 0.00 N ATOM 825 CA SER A 53 1.550 -4.265 5.216 1.00 0.00 C ATOM 826 C SER A 53 2.542 -3.429 6.032 1.00 0.00 C ATOM 827 O SER A 53 2.153 -2.494 6.727 1.00 0.00 O ATOM 828 CB SER A 53 0.805 -5.234 6.131 1.00 0.00 C ATOM 829 OG SER A 53 1.614 -6.362 6.426 1.00 0.00 O ATOM 0 H SER A 53 2.103 -6.040 4.257 1.00 0.00 H new ATOM 0 HA SER A 53 0.861 -3.558 4.754 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.525 -4.728 7.055 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.119 -5.557 5.652 1.00 0.00 H new ATOM 0 HG SER A 53 2.388 -6.080 6.956 1.00 0.00 H new ATOM 835 N ASN A 54 3.824 -3.753 5.937 1.00 0.00 N ATOM 836 CA ASN A 54 4.835 -3.092 6.760 1.00 0.00 C ATOM 837 C ASN A 54 5.402 -1.847 6.086 1.00 0.00 C ATOM 838 O ASN A 54 6.362 -1.258 6.574 1.00 0.00 O ATOM 839 CB ASN A 54 5.976 -4.055 7.090 1.00 0.00 C ATOM 840 CG ASN A 54 5.614 -5.077 8.157 1.00 0.00 C ATOM 841 OD1 ASN A 54 4.373 -5.547 8.159 1.00 0.00 O flip ATOM 842 ND2 ASN A 54 6.455 -5.455 8.967 1.00 0.00 N flip ATOM 0 H ASN A 54 4.190 -4.464 5.304 1.00 0.00 H new ATOM 0 HA ASN A 54 4.338 -2.782 7.680 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.274 -4.579 6.182 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.840 -3.481 7.425 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.400 -5.073 8.937 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.209 -6.152 9.670 1.00 0.00 H new ATOM 849 N TYR A 55 4.816 -1.436 4.969 1.00 0.00 N ATOM 850 CA TYR A 55 5.320 -0.271 4.251 1.00 0.00 C ATOM 851 C TYR A 55 4.314 0.873 4.263 1.00 0.00 C ATOM 852 O TYR A 55 4.438 1.823 3.491 1.00 0.00 O ATOM 853 CB TYR A 55 5.679 -0.643 2.810 1.00 0.00 C ATOM 854 CG TYR A 55 6.909 -1.521 2.702 1.00 0.00 C ATOM 855 CD1 TYR A 55 8.178 -0.965 2.589 1.00 0.00 C ATOM 856 CD2 TYR A 55 6.798 -2.901 2.715 1.00 0.00 C ATOM 857 CE1 TYR A 55 9.302 -1.765 2.495 1.00 0.00 C ATOM 858 CE2 TYR A 55 7.914 -3.710 2.620 1.00 0.00 C ATOM 859 CZ TYR A 55 9.166 -3.138 2.510 1.00 0.00 C ATOM 860 OH TYR A 55 10.284 -3.941 2.426 1.00 0.00 O ATOM 0 H TYR A 55 4.003 -1.883 4.545 1.00 0.00 H new ATOM 0 HA TYR A 55 6.219 0.068 4.765 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.833 -1.158 2.355 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.842 0.270 2.237 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.288 0.109 2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.821 -3.353 2.801 1.00 0.00 H new ATOM 0 HE1 TYR A 55 10.281 -1.317 2.410 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.808 -4.785 2.632 1.00 0.00 H new ATOM 0 HH TYR A 55 10.013 -4.882 2.451 1.00 0.00 H new ATOM 870 N VAL A 56 3.336 0.801 5.158 1.00 0.00 N ATOM 871 CA VAL A 56 2.319 1.844 5.247 1.00 0.00 C ATOM 872 C VAL A 56 2.080 2.296 6.685 1.00 0.00 C ATOM 873 O VAL A 56 2.564 1.688 7.640 1.00 0.00 O ATOM 874 CB VAL A 56 0.978 1.409 4.632 1.00 0.00 C ATOM 875 CG1 VAL A 56 1.065 1.424 3.113 1.00 0.00 C ATOM 876 CG2 VAL A 56 0.578 0.035 5.144 1.00 0.00 C ATOM 0 H VAL A 56 3.225 0.039 5.827 1.00 0.00 H new ATOM 0 HA VAL A 56 2.715 2.681 4.672 1.00 0.00 H new ATOM 0 HB VAL A 56 0.207 2.117 4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.109 1.114 2.691 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.303 2.432 2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.846 0.737 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.373 -0.257 4.698 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.344 -0.692 4.873 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.476 0.066 6.229 1.00 0.00 H new ATOM 886 N THR A 57 1.335 3.381 6.806 1.00 0.00 N ATOM 887 CA THR A 57 0.995 3.985 8.082 1.00 0.00 C ATOM 888 C THR A 57 -0.373 4.657 7.990 1.00 0.00 C ATOM 889 O THR A 57 -0.523 5.677 7.325 1.00 0.00 O ATOM 890 CB THR A 57 2.066 5.021 8.486 1.00 0.00 C ATOM 891 OG1 THR A 57 3.239 4.346 8.948 1.00 0.00 O ATOM 892 CG2 THR A 57 1.566 5.987 9.552 1.00 0.00 C ATOM 0 H THR A 57 0.942 3.876 6.005 1.00 0.00 H new ATOM 0 HA THR A 57 0.959 3.205 8.842 1.00 0.00 H new ATOM 0 HB THR A 57 2.301 5.612 7.601 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.164 3.389 8.753 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.357 6.695 9.801 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.699 6.529 9.174 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.284 5.429 10.445 1.00 0.00 H new ATOM 900 N GLU A 58 -1.365 4.069 8.640 1.00 0.00 N ATOM 901 CA GLU A 58 -2.731 4.576 8.570 1.00 0.00 C ATOM 902 C GLU A 58 -2.824 5.960 9.210 1.00 0.00 C ATOM 903 O GLU A 58 -2.842 6.978 8.522 1.00 0.00 O ATOM 904 CB GLU A 58 -3.687 3.606 9.262 1.00 0.00 C ATOM 905 CG GLU A 58 -3.617 2.202 8.687 1.00 0.00 C ATOM 906 CD GLU A 58 -4.564 1.236 9.361 1.00 0.00 C ATOM 907 OE1 GLU A 58 -5.716 1.114 8.904 1.00 0.00 O ATOM 908 OE2 GLU A 58 -4.151 0.572 10.337 1.00 0.00 O ATOM 0 H GLU A 58 -1.252 3.240 9.223 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.016 4.663 7.521 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.454 3.570 10.326 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.707 3.981 9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.845 2.241 7.622 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.598 1.828 8.782 1.00 0.00 H new ATOM 915 N GLU A 59 -2.854 5.985 10.534 1.00 0.00 N ATOM 916 CA GLU A 59 -2.866 7.232 11.279 1.00 0.00 C ATOM 917 C GLU A 59 -1.928 7.127 12.470 1.00 0.00 C ATOM 918 O GLU A 59 -2.327 6.709 13.559 1.00 0.00 O ATOM 919 CB GLU A 59 -4.280 7.589 11.751 1.00 0.00 C ATOM 920 CG GLU A 59 -5.264 7.836 10.618 1.00 0.00 C ATOM 921 CD GLU A 59 -6.607 8.337 11.108 1.00 0.00 C ATOM 922 OE1 GLU A 59 -7.405 7.520 11.607 1.00 0.00 O ATOM 923 OE2 GLU A 59 -6.872 9.552 10.995 1.00 0.00 O ATOM 0 H GLU A 59 -2.871 5.148 11.117 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.526 8.028 10.616 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.658 6.781 12.378 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.230 8.481 12.376 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.840 8.564 9.926 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.408 6.911 10.059 1.00 0.00 H new ATOM 930 N GLY A 60 -0.672 7.468 12.247 1.00 0.00 N ATOM 931 CA GLY A 60 0.318 7.376 13.297 1.00 0.00 C ATOM 932 C GLY A 60 0.728 8.735 13.820 1.00 0.00 C ATOM 933 O GLY A 60 1.039 8.883 14.998 1.00 0.00 O ATOM 0 H GLY A 60 -0.318 7.809 11.353 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.080 6.778 14.117 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.197 6.854 12.920 1.00 0.00 H new ATOM 937 N ASP A 61 0.722 9.727 12.944 1.00 0.00 N ATOM 938 CA ASP A 61 1.146 11.072 13.306 1.00 0.00 C ATOM 939 C ASP A 61 0.154 12.092 12.776 1.00 0.00 C ATOM 940 O ASP A 61 0.180 12.363 11.556 1.00 0.00 O ATOM 941 CB ASP A 61 2.537 11.374 12.741 1.00 0.00 C ATOM 942 CG ASP A 61 3.614 10.470 13.309 1.00 0.00 C ATOM 943 OD1 ASP A 61 3.818 9.363 12.767 1.00 0.00 O ATOM 944 OD2 ASP A 61 4.280 10.868 14.290 1.00 0.00 O ATOM 0 H ASP A 61 0.427 9.626 11.973 1.00 0.00 H new ATOM 0 HA ASP A 61 1.187 11.134 14.393 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.514 11.266 11.657 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.792 12.412 12.953 1.00 0.00 H new TER 949 ASP A 61