USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 344 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 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.665 K(o=-0.67,f=-1.3) USER MOD Single : A 7 SER OG : rot 31:sc= 1.24 USER MOD Single : A 9 ASN : amide:sc= -0.0229 K(o=-0.023,f=-6.1!) USER MOD Single : A 11 ASN : amide:sc= -0.019 K(o=-0.019,f=-0.54) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 153:sc= 1.12 (180deg=0.659) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 84:sc= -0.459 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -4.428 -5.265 0.574 1.00 10.00 N ATOM 14 CA ILE A 2 -3.858 -5.455 -0.763 1.00 10.00 C ATOM 15 C ILE A 2 -4.141 -6.857 -1.327 1.00 10.00 C ATOM 16 O ILE A 2 -4.348 -7.831 -0.597 1.00 10.00 O ATOM 17 CB ILE A 2 -2.344 -5.103 -0.811 1.00 10.00 C ATOM 18 CG1 ILE A 2 -1.481 -5.506 0.408 1.00 10.00 C ATOM 19 CG2 ILE A 2 -2.182 -3.591 -1.023 1.00 10.00 C ATOM 20 CD1 ILE A 2 -1.458 -7.006 0.714 1.00 10.00 C ATOM 0 HA ILE A 2 -4.368 -4.748 -1.417 1.00 10.00 H new ATOM 0 HB ILE A 2 -1.968 -5.707 -1.637 1.00 10.00 H new ATOM 0 HG12 ILE A 2 -0.458 -5.169 0.238 1.00 10.00 H new ATOM 0 HG13 ILE A 2 -1.849 -4.976 1.287 1.00 10.00 H new ATOM 0 HG21 ILE A 2 -1.122 -3.340 -1.057 1.00 10.00 H new ATOM 0 HG22 ILE A 2 -2.654 -3.303 -1.962 1.00 10.00 H new ATOM 0 HG23 ILE A 2 -2.655 -3.055 -0.200 1.00 10.00 H new ATOM 0 HD11 ILE A 2 -0.828 -7.190 1.584 1.00 10.00 H new ATOM 0 HD12 ILE A 2 -2.471 -7.351 0.920 1.00 10.00 H new ATOM 0 HD13 ILE A 2 -1.059 -7.546 -0.144 1.00 10.00 H new ATOM 32 N LYS A 3 -4.096 -6.938 -2.653 1.00 10.00 N ATOM 33 CA LYS A 3 -4.106 -8.144 -3.464 1.00 10.00 C ATOM 34 C LYS A 3 -2.769 -8.182 -4.206 1.00 10.00 C ATOM 35 O LYS A 3 -2.075 -7.164 -4.318 1.00 10.00 O ATOM 36 CB LYS A 3 -5.288 -8.083 -4.452 1.00 10.00 C ATOM 37 CG LYS A 3 -6.648 -8.330 -3.778 1.00 10.00 C ATOM 38 CD LYS A 3 -7.801 -8.030 -4.749 1.00 10.00 C ATOM 39 CE LYS A 3 -9.169 -8.472 -4.205 1.00 10.00 C ATOM 40 NZ LYS A 3 -9.365 -9.941 -4.289 1.00 10.00 N ATOM 0 H LYS A 3 -4.048 -6.097 -3.229 1.00 10.00 H new ATOM 0 HA LYS A 3 -4.228 -9.043 -2.860 1.00 10.00 H new ATOM 0 HB2 LYS A 3 -5.300 -7.106 -4.935 1.00 10.00 H new ATOM 0 HB3 LYS A 3 -5.137 -8.825 -5.236 1.00 10.00 H new ATOM 0 HG2 LYS A 3 -6.710 -9.365 -3.442 1.00 10.00 H new ATOM 0 HG3 LYS A 3 -6.740 -7.701 -2.892 1.00 10.00 H new ATOM 0 HD2 LYS A 3 -7.826 -6.960 -4.956 1.00 10.00 H new ATOM 0 HD3 LYS A 3 -7.612 -8.534 -5.697 1.00 10.00 H new ATOM 0 HE2 LYS A 3 -9.263 -8.155 -3.167 1.00 10.00 H new ATOM 0 HE3 LYS A 3 -9.959 -7.970 -4.765 1.00 10.00 H new ATOM 0 HZ1 LYS A 3 -10.301 -10.189 -3.910 1.00 10.00 H new ATOM 0 HZ2 LYS A 3 -9.302 -10.243 -5.282 1.00 10.00 H new ATOM 0 HZ3 LYS A 3 -8.629 -10.422 -3.734 1.00 10.00 H new ATOM 54 N LEU A 4 -2.420 -9.349 -4.738 1.00 10.00 N ATOM 55 CA LEU A 4 -1.230 -9.563 -5.553 1.00 10.00 C ATOM 56 C LEU A 4 -1.735 -10.186 -6.844 1.00 10.00 C ATOM 57 O LEU A 4 -2.569 -11.096 -6.797 1.00 10.00 O ATOM 58 CB LEU A 4 -0.235 -10.504 -4.848 1.00 10.00 C ATOM 59 CG LEU A 4 0.331 -9.987 -3.510 1.00 10.00 C ATOM 60 CD1 LEU A 4 1.271 -11.039 -2.911 1.00 10.00 C ATOM 61 CD2 LEU A 4 1.089 -8.664 -3.661 1.00 10.00 C ATOM 0 H LEU A 4 -2.974 -10.196 -4.610 1.00 10.00 H new ATOM 0 HA LEU A 4 -0.694 -8.631 -5.731 1.00 10.00 H new ATOM 0 HB2 LEU A 4 -0.729 -11.459 -4.669 1.00 10.00 H new ATOM 0 HB3 LEU A 4 0.597 -10.697 -5.525 1.00 10.00 H new ATOM 0 HG LEU A 4 -0.518 -9.806 -2.851 1.00 10.00 H new ATOM 0 HD11 LEU A 4 1.671 -10.673 -1.965 1.00 10.00 H new ATOM 0 HD12 LEU A 4 0.720 -11.963 -2.739 1.00 10.00 H new ATOM 0 HD13 LEU A 4 2.092 -11.229 -3.603 1.00 10.00 H new ATOM 0 HD21 LEU A 4 1.465 -8.347 -2.688 1.00 10.00 H new ATOM 0 HD22 LEU A 4 1.925 -8.800 -4.347 1.00 10.00 H new ATOM 0 HD23 LEU A 4 0.416 -7.902 -4.055 1.00 10.00 H new ATOM 73 N VAL A 5 -1.272 -9.689 -7.989 1.00 10.00 N ATOM 74 CA VAL A 5 -1.891 -9.987 -9.276 1.00 10.00 C ATOM 75 C VAL A 5 -0.794 -10.276 -10.297 1.00 10.00 C ATOM 76 O VAL A 5 0.310 -9.740 -10.196 1.00 10.00 O ATOM 77 CB VAL A 5 -2.817 -8.825 -9.713 1.00 10.00 C ATOM 78 CG1 VAL A 5 -3.703 -9.261 -10.891 1.00 10.00 C ATOM 79 CG2 VAL A 5 -3.746 -8.323 -8.592 1.00 10.00 C ATOM 0 H VAL A 5 -0.462 -9.072 -8.050 1.00 10.00 H new ATOM 0 HA VAL A 5 -2.522 -10.872 -9.196 1.00 10.00 H new ATOM 0 HB VAL A 5 -2.148 -8.011 -9.993 1.00 10.00 H new ATOM 0 HG11 VAL A 5 -4.348 -8.434 -11.187 1.00 10.00 H new ATOM 0 HG12 VAL A 5 -3.073 -9.549 -11.733 1.00 10.00 H new ATOM 0 HG13 VAL A 5 -4.317 -10.110 -10.590 1.00 10.00 H new ATOM 0 HG21 VAL A 5 -4.365 -7.509 -8.970 1.00 10.00 H new ATOM 0 HG22 VAL A 5 -4.385 -9.140 -8.256 1.00 10.00 H new ATOM 0 HG23 VAL A 5 -3.146 -7.964 -7.756 1.00 10.00 H new ATOM 89 N GLN A 6 -1.106 -11.130 -11.273 1.00 10.00 N ATOM 90 CA GLN A 6 -0.260 -11.522 -12.387 1.00 10.00 C ATOM 91 C GLN A 6 -1.205 -11.701 -13.575 1.00 10.00 C ATOM 92 O GLN A 6 -2.201 -12.418 -13.428 1.00 10.00 O ATOM 93 CB GLN A 6 0.462 -12.860 -12.114 1.00 10.00 C ATOM 94 CG GLN A 6 1.299 -12.950 -10.825 1.00 10.00 C ATOM 95 CD GLN A 6 0.487 -13.125 -9.535 1.00 10.00 C ATOM 96 OE1 GLN A 6 -0.608 -13.685 -9.523 1.00 10.00 O ATOM 97 NE2 GLN A 6 0.990 -12.635 -8.412 1.00 10.00 N ATOM 0 H GLN A 6 -2.015 -11.592 -11.303 1.00 10.00 H new ATOM 0 HA GLN A 6 0.511 -10.772 -12.562 1.00 10.00 H new ATOM 0 HB2 GLN A 6 -0.288 -13.651 -12.087 1.00 10.00 H new ATOM 0 HB3 GLN A 6 1.117 -13.070 -12.959 1.00 10.00 H new ATOM 0 HG2 GLN A 6 1.991 -13.787 -10.917 1.00 10.00 H new ATOM 0 HG3 GLN A 6 1.902 -12.046 -10.737 1.00 10.00 H new ATOM 0 HE21 GLN A 6 1.898 -12.170 -8.420 1.00 10.00 H new ATOM 0 HE22 GLN A 6 0.469 -12.722 -7.539 1.00 10.00 H new ATOM 106 N SER A 7 -0.938 -11.064 -14.717 1.00 10.00 N ATOM 107 CA SER A 7 -1.640 -11.271 -15.990 1.00 10.00 C ATOM 108 C SER A 7 -0.877 -10.551 -17.108 1.00 10.00 C ATOM 109 O SER A 7 -0.200 -9.558 -16.840 1.00 10.00 O ATOM 110 CB SER A 7 -3.079 -10.729 -15.926 1.00 10.00 C ATOM 111 OG SER A 7 -3.913 -11.669 -15.287 1.00 10.00 O ATOM 0 H SER A 7 -0.200 -10.363 -14.785 1.00 10.00 H new ATOM 0 HA SER A 7 -1.685 -12.342 -16.189 1.00 10.00 H new ATOM 0 HB2 SER A 7 -3.098 -9.784 -15.384 1.00 10.00 H new ATOM 0 HB3 SER A 7 -3.447 -10.527 -16.932 1.00 10.00 H new ATOM 0 HG SER A 7 -3.391 -12.177 -14.631 1.00 10.00 H new ATOM 117 N PRO A 8 -0.977 -11.001 -18.371 1.00 10.00 N ATOM 118 CA PRO A 8 -0.205 -10.425 -19.469 1.00 10.00 C ATOM 119 C PRO A 8 -0.623 -8.988 -19.811 1.00 10.00 C ATOM 120 O PRO A 8 0.194 -8.239 -20.349 1.00 10.00 O ATOM 121 CB PRO A 8 -0.405 -11.379 -20.655 1.00 10.00 C ATOM 122 CG PRO A 8 -1.741 -12.060 -20.358 1.00 10.00 C ATOM 123 CD PRO A 8 -1.749 -12.150 -18.834 1.00 10.00 C ATOM 0 HA PRO A 8 0.846 -10.335 -19.194 1.00 10.00 H new ATOM 0 HB2 PRO A 8 -0.433 -10.839 -21.602 1.00 10.00 H new ATOM 0 HB3 PRO A 8 0.406 -12.104 -20.726 1.00 10.00 H new ATOM 0 HG2 PRO A 8 -2.583 -11.478 -20.732 1.00 10.00 H new ATOM 0 HG3 PRO A 8 -1.804 -13.045 -20.821 1.00 10.00 H new ATOM 0 HD2 PRO A 8 -2.767 -12.122 -18.445 1.00 10.00 H new ATOM 0 HD3 PRO A 8 -1.304 -13.085 -18.494 1.00 10.00 H new ATOM 131 N ASN A 9 -1.866 -8.587 -19.509 1.00 10.00 N ATOM 132 CA ASN A 9 -2.385 -7.271 -19.885 1.00 10.00 C ATOM 133 C ASN A 9 -1.966 -6.146 -18.928 1.00 10.00 C ATOM 134 O ASN A 9 -2.030 -4.983 -19.325 1.00 10.00 O ATOM 135 CB ASN A 9 -3.916 -7.305 -20.069 1.00 10.00 C ATOM 136 CG ASN A 9 -4.754 -7.456 -18.796 1.00 10.00 C ATOM 137 OD1 ASN A 9 -4.252 -7.477 -17.678 1.00 10.00 O ATOM 138 ND2 ASN A 9 -6.060 -7.577 -18.951 1.00 10.00 N ATOM 0 H ASN A 9 -2.534 -9.165 -19.000 1.00 10.00 H new ATOM 0 HA ASN A 9 -1.925 -7.034 -20.844 1.00 10.00 H new ATOM 0 HB2 ASN A 9 -4.220 -6.386 -20.570 1.00 10.00 H new ATOM 0 HB3 ASN A 9 -4.161 -8.130 -20.739 1.00 10.00 H new ATOM 0 HD21 ASN A 9 -6.662 -7.689 -18.135 1.00 10.00 H new ATOM 0 HD22 ASN A 9 -6.466 -7.558 -19.886 1.00 10.00 H new ATOM 145 N GLY A 10 -1.533 -6.465 -17.699 1.00 10.00 N ATOM 146 CA GLY A 10 -1.177 -5.483 -16.673 1.00 10.00 C ATOM 147 C GLY A 10 -2.221 -4.386 -16.481 1.00 10.00 C ATOM 148 O GLY A 10 -1.831 -3.226 -16.331 1.00 10.00 O ATOM 0 H GLY A 10 -1.420 -7.430 -17.389 1.00 10.00 H new ATOM 0 HA2 GLY A 10 -1.028 -6.000 -15.725 1.00 10.00 H new ATOM 0 HA3 GLY A 10 -0.225 -5.023 -16.938 1.00 10.00 H new ATOM 152 N ASN A 11 -3.514 -4.727 -16.567 1.00 10.00 N ATOM 153 CA ASN A 11 -4.630 -3.779 -16.601 1.00 10.00 C ATOM 154 C ASN A 11 -4.598 -2.807 -15.414 1.00 10.00 C ATOM 155 O ASN A 11 -5.008 -3.151 -14.304 1.00 10.00 O ATOM 156 CB ASN A 11 -5.967 -4.531 -16.665 1.00 10.00 C ATOM 157 CG ASN A 11 -7.163 -3.587 -16.557 1.00 10.00 C ATOM 158 OD1 ASN A 11 -7.125 -2.446 -17.011 1.00 10.00 O ATOM 159 ND2 ASN A 11 -8.253 -4.041 -15.965 1.00 10.00 N ATOM 0 H ASN A 11 -3.819 -5.699 -16.616 1.00 10.00 H new ATOM 0 HA ASN A 11 -4.525 -3.177 -17.504 1.00 10.00 H new ATOM 0 HB2 ASN A 11 -6.026 -5.085 -17.602 1.00 10.00 H new ATOM 0 HB3 ASN A 11 -6.010 -5.263 -15.859 1.00 10.00 H new ATOM 0 HD21 ASN A 11 -9.075 -3.443 -15.881 1.00 10.00 H new ATOM 0 HD22 ASN A 11 -8.273 -4.990 -15.592 1.00 10.00 H new ATOM 166 N PHE A 12 -4.094 -1.595 -15.653 1.00 10.00 N ATOM 167 CA PHE A 12 -3.977 -0.549 -14.650 1.00 10.00 C ATOM 168 C PHE A 12 -5.368 0.043 -14.391 1.00 10.00 C ATOM 169 O PHE A 12 -5.978 0.612 -15.301 1.00 10.00 O ATOM 170 CB PHE A 12 -2.948 0.490 -15.130 1.00 10.00 C ATOM 171 CG PHE A 12 -2.967 1.835 -14.423 1.00 10.00 C ATOM 172 CD1 PHE A 12 -2.235 2.038 -13.236 1.00 10.00 C ATOM 173 CD2 PHE A 12 -3.682 2.907 -14.989 1.00 10.00 C ATOM 174 CE1 PHE A 12 -2.234 3.301 -12.617 1.00 10.00 C ATOM 175 CE2 PHE A 12 -3.671 4.171 -14.376 1.00 10.00 C ATOM 176 CZ PHE A 12 -2.948 4.369 -13.186 1.00 10.00 C ATOM 0 H PHE A 12 -3.750 -1.313 -16.571 1.00 10.00 H new ATOM 0 HA PHE A 12 -3.613 -0.939 -13.699 1.00 10.00 H new ATOM 0 HB2 PHE A 12 -1.952 0.060 -15.021 1.00 10.00 H new ATOM 0 HB3 PHE A 12 -3.106 0.661 -16.195 1.00 10.00 H new ATOM 0 HD1 PHE A 12 -1.675 1.223 -12.801 1.00 10.00 H new ATOM 0 HD2 PHE A 12 -4.242 2.757 -15.900 1.00 10.00 H new ATOM 0 HE1 PHE A 12 -1.682 3.450 -11.701 1.00 10.00 H new ATOM 0 HE2 PHE A 12 -4.218 4.991 -14.819 1.00 10.00 H new ATOM 0 HZ PHE A 12 -2.942 5.339 -12.711 1.00 10.00 H new ATOM 186 N ALA A 13 -5.872 -0.100 -13.160 1.00 10.00 N ATOM 187 CA ALA A 13 -7.222 0.325 -12.783 1.00 10.00 C ATOM 188 C ALA A 13 -7.272 1.728 -12.152 1.00 10.00 C ATOM 189 O ALA A 13 -8.364 2.274 -12.001 1.00 10.00 O ATOM 190 CB ALA A 13 -7.813 -0.703 -11.809 1.00 10.00 C ATOM 0 H ALA A 13 -5.348 -0.518 -12.391 1.00 10.00 H new ATOM 0 HA ALA A 13 -7.809 0.382 -13.700 1.00 10.00 H new ATOM 0 HB1 ALA A 13 -8.819 -0.396 -11.522 1.00 10.00 H new ATOM 0 HB2 ALA A 13 -7.856 -1.679 -12.292 1.00 10.00 H new ATOM 0 HB3 ALA A 13 -7.185 -0.765 -10.920 1.00 10.00 H new ATOM 196 N ALA A 14 -6.117 2.304 -11.790 1.00 10.00 N ATOM 197 CA ALA A 14 -5.920 3.489 -10.947 1.00 10.00 C ATOM 198 C ALA A 14 -6.578 3.406 -9.558 1.00 10.00 C ATOM 199 O ALA A 14 -5.861 3.418 -8.558 1.00 10.00 O ATOM 200 CB ALA A 14 -6.314 4.771 -11.693 1.00 10.00 C ATOM 0 H ALA A 14 -5.226 1.921 -12.105 1.00 10.00 H new ATOM 0 HA ALA A 14 -4.850 3.523 -10.740 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -6.157 5.632 -11.044 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -5.700 4.875 -12.588 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -7.365 4.718 -11.978 1.00 10.00 H new ATOM 206 N SER A 15 -7.905 3.314 -9.466 1.00 10.00 N ATOM 207 CA SER A 15 -8.655 3.304 -8.214 1.00 10.00 C ATOM 208 C SER A 15 -10.110 2.879 -8.451 1.00 10.00 C ATOM 209 O SER A 15 -10.586 2.874 -9.591 1.00 10.00 O ATOM 210 CB SER A 15 -8.578 4.689 -7.539 1.00 10.00 C ATOM 211 OG SER A 15 -8.799 5.750 -8.459 1.00 10.00 O ATOM 0 H SER A 15 -8.505 3.242 -10.288 1.00 10.00 H new ATOM 0 HA SER A 15 -8.206 2.571 -7.543 1.00 10.00 H new ATOM 0 HB2 SER A 15 -9.318 4.743 -6.740 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.599 4.811 -7.075 1.00 10.00 H new ATOM 0 HG SER A 15 -8.743 6.608 -7.989 1.00 10.00 H new ATOM 217 N PHE A 16 -10.817 2.520 -7.375 1.00 10.00 N ATOM 218 CA PHE A 16 -12.219 2.106 -7.371 1.00 10.00 C ATOM 219 C PHE A 16 -12.781 2.303 -5.955 1.00 10.00 C ATOM 220 O PHE A 16 -12.039 2.635 -5.027 1.00 10.00 O ATOM 221 CB PHE A 16 -12.303 0.630 -7.808 1.00 10.00 C ATOM 222 CG PHE A 16 -13.689 0.084 -8.101 1.00 10.00 C ATOM 223 CD1 PHE A 16 -14.488 0.678 -9.097 1.00 10.00 C ATOM 224 CD2 PHE A 16 -14.163 -1.051 -7.413 1.00 10.00 C ATOM 225 CE1 PHE A 16 -15.760 0.152 -9.391 1.00 10.00 C ATOM 226 CE2 PHE A 16 -15.430 -1.582 -7.715 1.00 10.00 C ATOM 227 CZ PHE A 16 -16.232 -0.978 -8.700 1.00 10.00 C ATOM 0 H PHE A 16 -10.406 2.510 -6.441 1.00 10.00 H new ATOM 0 HA PHE A 16 -12.808 2.703 -8.066 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -11.692 0.504 -8.702 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -11.854 0.017 -7.026 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -14.124 1.540 -9.637 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -13.552 -1.514 -6.652 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -16.374 0.617 -10.148 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -15.788 -2.455 -7.190 1.00 10.00 H new ATOM 0 HZ PHE A 16 -17.208 -1.381 -8.925 1.00 10.00 H new ATOM 237 N VAL A 17 -14.078 2.057 -5.764 1.00 10.00 N ATOM 238 CA VAL A 17 -14.729 2.030 -4.459 1.00 10.00 C ATOM 239 C VAL A 17 -15.652 0.810 -4.477 1.00 10.00 C ATOM 240 O VAL A 17 -16.385 0.603 -5.447 1.00 10.00 O ATOM 241 CB VAL A 17 -15.493 3.351 -4.194 1.00 10.00 C ATOM 242 CG1 VAL A 17 -16.204 3.336 -2.832 1.00 10.00 C ATOM 243 CG2 VAL A 17 -14.568 4.579 -4.224 1.00 10.00 C ATOM 0 H VAL A 17 -14.719 1.866 -6.534 1.00 10.00 H new ATOM 0 HA VAL A 17 -14.009 1.948 -3.645 1.00 10.00 H new ATOM 0 HB VAL A 17 -16.224 3.425 -4.999 1.00 10.00 H new ATOM 0 HG11 VAL A 17 -16.728 4.280 -2.685 1.00 10.00 H new ATOM 0 HG12 VAL A 17 -16.921 2.515 -2.805 1.00 10.00 H new ATOM 0 HG13 VAL A 17 -15.468 3.202 -2.039 1.00 10.00 H new ATOM 0 HG21 VAL A 17 -15.152 5.479 -4.033 1.00 10.00 H new ATOM 0 HG22 VAL A 17 -13.800 4.475 -3.457 1.00 10.00 H new ATOM 0 HG23 VAL A 17 -14.095 4.655 -5.203 1.00 10.00 H new ATOM 253 N LEU A 18 -15.606 0.000 -3.419 1.00 10.00 N ATOM 254 CA LEU A 18 -16.363 -1.238 -3.281 1.00 10.00 C ATOM 255 C LEU A 18 -16.709 -1.392 -1.807 1.00 10.00 C ATOM 256 O LEU A 18 -15.825 -1.260 -0.960 1.00 10.00 O ATOM 257 CB LEU A 18 -15.508 -2.425 -3.768 1.00 10.00 C ATOM 258 CG LEU A 18 -16.133 -3.817 -3.535 1.00 10.00 C ATOM 259 CD1 LEU A 18 -17.432 -4.011 -4.329 1.00 10.00 C ATOM 260 CD2 LEU A 18 -15.129 -4.902 -3.938 1.00 10.00 C ATOM 0 H LEU A 18 -15.019 0.197 -2.608 1.00 10.00 H new ATOM 0 HA LEU A 18 -17.273 -1.215 -3.881 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -15.317 -2.303 -4.834 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -14.542 -2.388 -3.265 1.00 10.00 H new ATOM 0 HG LEU A 18 -16.376 -3.894 -2.475 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -17.834 -5.005 -4.132 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -18.160 -3.259 -4.025 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -17.226 -3.907 -5.394 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -15.570 -5.885 -3.774 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -14.876 -4.790 -4.992 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -14.226 -4.804 -3.335 1.00 10.00 H new ATOM 272 N ASP A 19 -17.976 -1.698 -1.517 1.00 10.00 N ATOM 273 CA ASP A 19 -18.512 -1.956 -0.177 1.00 10.00 C ATOM 274 C ASP A 19 -18.047 -0.921 0.859 1.00 10.00 C ATOM 275 O ASP A 19 -17.531 -1.252 1.930 1.00 10.00 O ATOM 276 CB ASP A 19 -18.253 -3.416 0.230 1.00 10.00 C ATOM 277 CG ASP A 19 -18.946 -3.783 1.556 1.00 10.00 C ATOM 278 OD1 ASP A 19 -20.122 -3.407 1.766 1.00 10.00 O ATOM 279 OD2 ASP A 19 -18.340 -4.509 2.379 1.00 10.00 O ATOM 0 H ASP A 19 -18.689 -1.776 -2.242 1.00 10.00 H new ATOM 0 HA ASP A 19 -19.594 -1.827 -0.209 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -18.607 -4.079 -0.559 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -17.180 -3.580 0.326 1.00 10.00 H new ATOM 284 N GLY A 20 -18.186 0.362 0.506 1.00 10.00 N ATOM 285 CA GLY A 20 -17.886 1.485 1.390 1.00 10.00 C ATOM 286 C GLY A 20 -16.394 1.631 1.708 1.00 10.00 C ATOM 287 O GLY A 20 -16.047 2.282 2.697 1.00 10.00 O ATOM 0 H GLY A 20 -18.515 0.649 -0.416 1.00 10.00 H new ATOM 0 HA2 GLY A 20 -18.243 2.406 0.929 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -18.438 1.361 2.322 1.00 10.00 H new ATOM 291 N THR A 21 -15.517 1.048 0.890 1.00 10.00 N ATOM 292 CA THR A 21 -14.071 1.061 1.064 1.00 10.00 C ATOM 293 C THR A 21 -13.476 1.561 -0.255 1.00 10.00 C ATOM 294 O THR A 21 -13.937 1.164 -1.327 1.00 10.00 O ATOM 295 CB THR A 21 -13.611 -0.368 1.428 1.00 10.00 C ATOM 296 OG1 THR A 21 -14.371 -0.885 2.509 1.00 10.00 O ATOM 297 CG2 THR A 21 -12.132 -0.439 1.820 1.00 10.00 C ATOM 0 H THR A 21 -15.809 0.535 0.058 1.00 10.00 H new ATOM 0 HA THR A 21 -13.740 1.717 1.869 1.00 10.00 H new ATOM 0 HB THR A 21 -13.763 -0.961 0.526 1.00 10.00 H new ATOM 0 HG1 THR A 21 -14.064 -1.791 2.721 1.00 10.00 H new ATOM 0 HG21 THR A 21 -11.869 -1.468 2.065 1.00 10.00 H new ATOM 0 HG22 THR A 21 -11.518 -0.096 0.987 1.00 10.00 H new ATOM 0 HG23 THR A 21 -11.955 0.197 2.688 1.00 10.00 H new ATOM 305 N LYS A 22 -12.485 2.457 -0.198 1.00 10.00 N ATOM 306 CA LYS A 22 -11.764 2.912 -1.385 1.00 10.00 C ATOM 307 C LYS A 22 -10.618 1.940 -1.667 1.00 10.00 C ATOM 308 O LYS A 22 -10.061 1.343 -0.743 1.00 10.00 O ATOM 309 CB LYS A 22 -11.276 4.358 -1.178 1.00 10.00 C ATOM 310 CG LYS A 22 -10.662 4.966 -2.450 1.00 10.00 C ATOM 311 CD LYS A 22 -10.384 6.464 -2.275 1.00 10.00 C ATOM 312 CE LYS A 22 -9.767 7.037 -3.561 1.00 10.00 C ATOM 313 NZ LYS A 22 -9.492 8.492 -3.449 1.00 10.00 N ATOM 0 H LYS A 22 -12.163 2.884 0.671 1.00 10.00 H new ATOM 0 HA LYS A 22 -12.419 2.921 -2.256 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -12.113 4.976 -0.852 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -10.536 4.376 -0.378 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -9.734 4.448 -2.692 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.339 4.816 -3.291 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -11.310 6.989 -2.040 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -9.707 6.621 -1.435 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -8.840 6.509 -3.784 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -10.443 6.860 -4.397 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -9.077 8.836 -4.338 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -10.380 9.000 -3.262 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -8.826 8.660 -2.668 1.00 10.00 H new ATOM 327 N TRP A 23 -10.255 1.813 -2.938 1.00 10.00 N ATOM 328 CA TRP A 23 -9.279 0.875 -3.461 1.00 10.00 C ATOM 329 C TRP A 23 -8.414 1.674 -4.458 1.00 10.00 C ATOM 330 O TRP A 23 -8.943 2.542 -5.156 1.00 10.00 O ATOM 331 CB TRP A 23 -10.074 -0.300 -4.080 1.00 10.00 C ATOM 332 CG TRP A 23 -10.809 -1.201 -3.122 1.00 10.00 C ATOM 333 CD1 TRP A 23 -12.039 -0.954 -2.624 1.00 10.00 C ATOM 334 CD2 TRP A 23 -10.428 -2.504 -2.559 1.00 10.00 C ATOM 335 NE1 TRP A 23 -12.417 -1.953 -1.753 1.00 10.00 N ATOM 336 CE2 TRP A 23 -11.463 -2.944 -1.677 1.00 10.00 C ATOM 337 CE3 TRP A 23 -9.329 -3.379 -2.714 1.00 10.00 C ATOM 338 CZ2 TRP A 23 -11.389 -4.158 -0.972 1.00 10.00 C ATOM 339 CZ3 TRP A 23 -9.240 -4.596 -2.013 1.00 10.00 C ATOM 340 CH2 TRP A 23 -10.266 -4.985 -1.136 1.00 10.00 C ATOM 0 H TRP A 23 -10.659 2.397 -3.670 1.00 10.00 H new ATOM 0 HA TRP A 23 -8.606 0.439 -2.723 1.00 10.00 H new ATOM 0 HB2 TRP A 23 -10.798 0.112 -4.782 1.00 10.00 H new ATOM 0 HB3 TRP A 23 -9.382 -0.912 -4.658 1.00 10.00 H new ATOM 0 HD1 TRP A 23 -12.643 -0.094 -2.873 1.00 10.00 H new ATOM 0 HE1 TRP A 23 -13.293 -1.958 -1.230 1.00 10.00 H new ATOM 0 HE3 TRP A 23 -8.533 -3.105 -3.391 1.00 10.00 H new ATOM 0 HZ2 TRP A 23 -12.190 -4.452 -0.309 1.00 10.00 H new ATOM 0 HZ3 TRP A 23 -8.379 -5.234 -2.150 1.00 10.00 H new ATOM 0 HH2 TRP A 23 -10.192 -5.915 -0.591 1.00 10.00 H new ATOM 351 N ILE A 24 -7.093 1.453 -4.512 1.00 10.00 N ATOM 352 CA ILE A 24 -6.130 2.294 -5.233 1.00 10.00 C ATOM 353 C ILE A 24 -4.903 1.483 -5.705 1.00 10.00 C ATOM 354 O ILE A 24 -4.582 0.426 -5.162 1.00 10.00 O ATOM 355 CB ILE A 24 -5.758 3.509 -4.337 1.00 10.00 C ATOM 356 CG1 ILE A 24 -4.959 4.578 -5.118 1.00 10.00 C ATOM 357 CG2 ILE A 24 -5.031 3.085 -3.044 1.00 10.00 C ATOM 358 CD1 ILE A 24 -4.853 5.927 -4.396 1.00 10.00 C ATOM 0 H ILE A 24 -6.654 0.662 -4.042 1.00 10.00 H new ATOM 0 HA ILE A 24 -6.584 2.674 -6.148 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.698 3.967 -4.031 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -3.955 4.199 -5.308 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.431 4.733 -6.088 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -4.793 3.970 -2.453 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -5.675 2.424 -2.464 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -4.110 2.561 -3.300 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -4.278 6.623 -5.007 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -5.852 6.330 -4.229 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -4.353 5.788 -3.437 1.00 10.00 H new ATOM 370 N PHE A 25 -4.216 1.969 -6.740 1.00 10.00 N ATOM 371 CA PHE A 25 -2.933 1.460 -7.222 1.00 10.00 C ATOM 372 C PHE A 25 -1.859 1.493 -6.125 1.00 10.00 C ATOM 373 O PHE A 25 -1.890 2.356 -5.243 1.00 10.00 O ATOM 374 CB PHE A 25 -2.528 2.311 -8.440 1.00 10.00 C ATOM 375 CG PHE A 25 -1.158 2.053 -9.056 1.00 10.00 C ATOM 376 CD1 PHE A 25 -0.756 0.751 -9.406 1.00 10.00 C ATOM 377 CD2 PHE A 25 -0.303 3.136 -9.344 1.00 10.00 C ATOM 378 CE1 PHE A 25 0.464 0.532 -10.063 1.00 10.00 C ATOM 379 CE2 PHE A 25 0.926 2.917 -9.992 1.00 10.00 C ATOM 380 CZ PHE A 25 1.308 1.615 -10.360 1.00 10.00 C ATOM 0 H PHE A 25 -4.553 2.761 -7.287 1.00 10.00 H new ATOM 0 HA PHE A 25 -3.029 0.413 -7.509 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -3.279 2.165 -9.217 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.573 3.360 -8.147 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.393 -0.088 -9.167 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -0.593 4.138 -9.066 1.00 10.00 H new ATOM 0 HE1 PHE A 25 0.755 -0.470 -10.341 1.00 10.00 H new ATOM 0 HE2 PHE A 25 1.578 3.751 -10.207 1.00 10.00 H new ATOM 0 HZ PHE A 25 2.246 1.448 -10.869 1.00 10.00 H new ATOM 390 N LYS A 26 -0.870 0.591 -6.223 1.00 10.00 N ATOM 391 CA LYS A 26 0.339 0.621 -5.404 1.00 10.00 C ATOM 392 C LYS A 26 1.551 0.487 -6.337 1.00 10.00 C ATOM 393 O LYS A 26 2.224 1.499 -6.542 1.00 10.00 O ATOM 394 CB LYS A 26 0.239 -0.420 -4.265 1.00 10.00 C ATOM 395 CG LYS A 26 1.201 -0.218 -3.081 1.00 10.00 C ATOM 396 CD LYS A 26 2.679 -0.320 -3.474 1.00 10.00 C ATOM 397 CE LYS A 26 3.601 -0.368 -2.252 1.00 10.00 C ATOM 398 NZ LYS A 26 5.030 -0.359 -2.654 1.00 10.00 N ATOM 0 H LYS A 26 -0.893 -0.187 -6.883 1.00 10.00 H new ATOM 0 HA LYS A 26 0.464 1.569 -4.880 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -0.782 -0.415 -3.883 1.00 10.00 H new ATOM 0 HB3 LYS A 26 0.416 -1.409 -4.687 1.00 10.00 H new ATOM 0 HG2 LYS A 26 1.018 0.760 -2.636 1.00 10.00 H new ATOM 0 HG3 LYS A 26 0.984 -0.962 -2.315 1.00 10.00 H new ATOM 0 HD2 LYS A 26 2.832 -1.215 -4.077 1.00 10.00 H new ATOM 0 HD3 LYS A 26 2.947 0.534 -4.096 1.00 10.00 H new ATOM 0 HE2 LYS A 26 3.397 0.486 -1.606 1.00 10.00 H new ATOM 0 HE3 LYS A 26 3.390 -1.265 -1.670 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 5.630 -0.392 -1.805 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 5.228 -1.188 -3.250 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 5.235 0.509 -3.189 1.00 10.00 H new ATOM 412 N SER A 27 1.802 -0.678 -6.954 1.00 10.00 N ATOM 413 CA SER A 27 2.945 -0.878 -7.854 1.00 10.00 C ATOM 414 C SER A 27 2.652 -1.980 -8.877 1.00 10.00 C ATOM 415 O SER A 27 1.988 -2.963 -8.550 1.00 10.00 O ATOM 416 CB SER A 27 4.184 -1.304 -7.046 1.00 10.00 C ATOM 417 OG SER A 27 4.529 -0.386 -6.022 1.00 10.00 O ATOM 0 H SER A 27 1.218 -1.507 -6.842 1.00 10.00 H new ATOM 0 HA SER A 27 3.126 0.065 -8.370 1.00 10.00 H new ATOM 0 HB2 SER A 27 4.000 -2.282 -6.601 1.00 10.00 H new ATOM 0 HB3 SER A 27 5.030 -1.416 -7.724 1.00 10.00 H new ATOM 0 HG SER A 27 5.320 -0.711 -5.544 1.00 10.00 H new ATOM 423 N LYS A 28 3.225 -1.890 -10.083 1.00 10.00 N ATOM 424 CA LYS A 28 3.294 -3.017 -11.015 1.00 10.00 C ATOM 425 C LYS A 28 4.652 -3.020 -11.715 1.00 10.00 C ATOM 426 O LYS A 28 5.295 -1.973 -11.815 1.00 10.00 O ATOM 427 CB LYS A 28 2.106 -3.033 -12.001 1.00 10.00 C ATOM 428 CG LYS A 28 2.034 -1.855 -12.989 1.00 10.00 C ATOM 429 CD LYS A 28 1.015 -2.144 -14.106 1.00 10.00 C ATOM 430 CE LYS A 28 1.029 -1.030 -15.162 1.00 10.00 C ATOM 431 NZ LYS A 28 0.366 -1.443 -16.424 1.00 10.00 N ATOM 0 H LYS A 28 3.653 -1.035 -10.438 1.00 10.00 H new ATOM 0 HA LYS A 28 3.205 -3.945 -10.451 1.00 10.00 H new ATOM 0 HB2 LYS A 28 2.147 -3.960 -12.573 1.00 10.00 H new ATOM 0 HB3 LYS A 28 1.181 -3.055 -11.425 1.00 10.00 H new ATOM 0 HG2 LYS A 28 1.752 -0.946 -12.459 1.00 10.00 H new ATOM 0 HG3 LYS A 28 3.018 -1.678 -13.424 1.00 10.00 H new ATOM 0 HD2 LYS A 28 1.246 -3.100 -14.577 1.00 10.00 H new ATOM 0 HD3 LYS A 28 0.016 -2.233 -13.679 1.00 10.00 H new ATOM 0 HE2 LYS A 28 0.529 -0.148 -14.763 1.00 10.00 H new ATOM 0 HE3 LYS A 28 2.060 -0.744 -15.372 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -0.010 -0.604 -16.910 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 1.056 -1.919 -17.039 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -0.414 -2.096 -16.209 1.00 10.00 H new ATOM 445 N TYR A 29 5.079 -4.186 -12.195 1.00 10.00 N ATOM 446 CA TYR A 29 6.320 -4.397 -12.927 1.00 10.00 C ATOM 447 C TYR A 29 6.096 -5.537 -13.923 1.00 10.00 C ATOM 448 O TYR A 29 5.234 -6.392 -13.709 1.00 10.00 O ATOM 449 CB TYR A 29 7.470 -4.720 -11.956 1.00 10.00 C ATOM 450 CG TYR A 29 7.336 -6.014 -11.164 1.00 10.00 C ATOM 451 CD1 TYR A 29 6.650 -6.028 -9.933 1.00 10.00 C ATOM 452 CD2 TYR A 29 7.935 -7.199 -11.640 1.00 10.00 C ATOM 453 CE1 TYR A 29 6.569 -7.212 -9.176 1.00 10.00 C ATOM 454 CE2 TYR A 29 7.858 -8.385 -10.890 1.00 10.00 C ATOM 455 CZ TYR A 29 7.182 -8.396 -9.649 1.00 10.00 C ATOM 456 OH TYR A 29 7.143 -9.545 -8.917 1.00 10.00 O ATOM 0 H TYR A 29 4.543 -5.046 -12.078 1.00 10.00 H new ATOM 0 HA TYR A 29 6.601 -3.492 -13.466 1.00 10.00 H new ATOM 0 HB2 TYR A 29 8.398 -4.761 -12.526 1.00 10.00 H new ATOM 0 HB3 TYR A 29 7.565 -3.895 -11.251 1.00 10.00 H new ATOM 0 HD1 TYR A 29 6.184 -5.125 -9.568 1.00 10.00 H new ATOM 0 HD2 TYR A 29 8.456 -7.195 -12.586 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.039 -7.217 -8.235 1.00 10.00 H new ATOM 0 HE2 TYR A 29 8.316 -9.289 -11.263 1.00 10.00 H new ATOM 0 HH TYR A 29 7.615 -10.256 -9.399 1.00 10.00 H new ATOM 466 N TYR A 30 6.852 -5.558 -15.019 1.00 10.00 N ATOM 467 CA TYR A 30 6.788 -6.653 -15.975 1.00 10.00 C ATOM 468 C TYR A 30 7.797 -7.708 -15.527 1.00 10.00 C ATOM 469 O TYR A 30 8.993 -7.424 -15.422 1.00 10.00 O ATOM 470 CB TYR A 30 7.043 -6.141 -17.395 1.00 10.00 C ATOM 471 CG TYR A 30 6.729 -7.173 -18.462 1.00 10.00 C ATOM 472 CD1 TYR A 30 5.399 -7.355 -18.891 1.00 10.00 C ATOM 473 CD2 TYR A 30 7.759 -7.951 -19.022 1.00 10.00 C ATOM 474 CE1 TYR A 30 5.097 -8.300 -19.888 1.00 10.00 C ATOM 475 CE2 TYR A 30 7.465 -8.895 -20.022 1.00 10.00 C ATOM 476 CZ TYR A 30 6.134 -9.072 -20.462 1.00 10.00 C ATOM 477 OH TYR A 30 5.870 -9.980 -21.442 1.00 10.00 O ATOM 0 H TYR A 30 7.517 -4.825 -15.264 1.00 10.00 H new ATOM 0 HA TYR A 30 5.796 -7.104 -16.001 1.00 10.00 H new ATOM 0 HB2 TYR A 30 6.438 -5.251 -17.569 1.00 10.00 H new ATOM 0 HB3 TYR A 30 8.087 -5.839 -17.485 1.00 10.00 H new ATOM 0 HD1 TYR A 30 4.608 -6.766 -18.452 1.00 10.00 H new ATOM 0 HD2 TYR A 30 8.777 -7.823 -18.683 1.00 10.00 H new ATOM 0 HE1 TYR A 30 4.076 -8.436 -20.214 1.00 10.00 H new ATOM 0 HE2 TYR A 30 8.259 -9.486 -20.455 1.00 10.00 H new ATOM 0 HH TYR A 30 6.703 -10.416 -21.717 1.00 10.00 H new ATOM 487 N ASP A 31 7.317 -8.910 -15.214 1.00 10.00 N ATOM 488 CA ASP A 31 8.154 -10.058 -14.905 1.00 10.00 C ATOM 489 C ASP A 31 8.543 -10.689 -16.237 1.00 10.00 C ATOM 490 O ASP A 31 7.776 -11.460 -16.820 1.00 10.00 O ATOM 491 CB ASP A 31 7.424 -11.049 -13.986 1.00 10.00 C ATOM 492 CG ASP A 31 8.347 -12.194 -13.537 1.00 10.00 C ATOM 493 OD1 ASP A 31 9.051 -12.790 -14.380 1.00 10.00 O ATOM 494 OD2 ASP A 31 8.376 -12.489 -12.319 1.00 10.00 O ATOM 0 H ASP A 31 6.318 -9.113 -15.168 1.00 10.00 H new ATOM 0 HA ASP A 31 9.047 -9.756 -14.357 1.00 10.00 H new ATOM 0 HB2 ASP A 31 7.045 -10.522 -13.110 1.00 10.00 H new ATOM 0 HB3 ASP A 31 6.560 -11.461 -14.508 1.00 10.00 H new ATOM 499 N SER A 32 9.704 -10.306 -16.763 1.00 10.00 N ATOM 500 CA SER A 32 10.194 -10.776 -18.052 1.00 10.00 C ATOM 501 C SER A 32 10.482 -12.284 -18.063 1.00 10.00 C ATOM 502 O SER A 32 10.431 -12.902 -19.128 1.00 10.00 O ATOM 503 CB SER A 32 11.456 -9.988 -18.425 1.00 10.00 C ATOM 504 OG SER A 32 11.255 -8.592 -18.247 1.00 10.00 O ATOM 0 H SER A 32 10.336 -9.653 -16.300 1.00 10.00 H new ATOM 0 HA SER A 32 9.410 -10.606 -18.790 1.00 10.00 H new ATOM 0 HB2 SER A 32 12.292 -10.320 -17.809 1.00 10.00 H new ATOM 0 HB3 SER A 32 11.723 -10.191 -19.462 1.00 10.00 H new ATOM 0 HG SER A 32 12.073 -8.110 -18.489 1.00 10.00 H new ATOM 510 N SER A 33 10.774 -12.890 -16.907 1.00 10.00 N ATOM 511 CA SER A 33 11.059 -14.315 -16.803 1.00 10.00 C ATOM 512 C SER A 33 9.783 -15.131 -17.048 1.00 10.00 C ATOM 513 O SER A 33 9.818 -16.127 -17.773 1.00 10.00 O ATOM 514 CB SER A 33 11.666 -14.624 -15.425 1.00 10.00 C ATOM 515 OG SER A 33 12.752 -13.749 -15.141 1.00 10.00 O ATOM 0 H SER A 33 10.818 -12.398 -16.015 1.00 10.00 H new ATOM 0 HA SER A 33 11.784 -14.596 -17.566 1.00 10.00 H new ATOM 0 HB2 SER A 33 10.901 -14.523 -14.655 1.00 10.00 H new ATOM 0 HB3 SER A 33 12.010 -15.658 -15.398 1.00 10.00 H new ATOM 0 HG SER A 33 13.122 -13.962 -14.259 1.00 10.00 H new ATOM 521 N LYS A 34 8.646 -14.694 -16.492 1.00 10.00 N ATOM 522 CA LYS A 34 7.341 -15.317 -16.728 1.00 10.00 C ATOM 523 C LYS A 34 6.689 -14.795 -18.010 1.00 10.00 C ATOM 524 O LYS A 34 5.893 -15.512 -18.617 1.00 10.00 O ATOM 525 CB LYS A 34 6.420 -15.058 -15.528 1.00 10.00 C ATOM 526 CG LYS A 34 6.889 -15.696 -14.208 1.00 10.00 C ATOM 527 CD LYS A 34 6.904 -17.232 -14.247 1.00 10.00 C ATOM 528 CE LYS A 34 7.285 -17.785 -12.868 1.00 10.00 C ATOM 529 NZ LYS A 34 7.313 -19.269 -12.844 1.00 10.00 N ATOM 0 H LYS A 34 8.607 -13.893 -15.862 1.00 10.00 H new ATOM 0 HA LYS A 34 7.496 -16.389 -16.849 1.00 10.00 H new ATOM 0 HB2 LYS A 34 6.329 -13.982 -15.383 1.00 10.00 H new ATOM 0 HB3 LYS A 34 5.424 -15.434 -15.764 1.00 10.00 H new ATOM 0 HG2 LYS A 34 7.891 -15.336 -13.974 1.00 10.00 H new ATOM 0 HG3 LYS A 34 6.235 -15.366 -13.401 1.00 10.00 H new ATOM 0 HD2 LYS A 34 5.923 -17.607 -14.541 1.00 10.00 H new ATOM 0 HD3 LYS A 34 7.615 -17.579 -14.997 1.00 10.00 H new ATOM 0 HE2 LYS A 34 8.264 -17.401 -12.583 1.00 10.00 H new ATOM 0 HE3 LYS A 34 6.573 -17.425 -12.125 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 7.575 -19.596 -11.892 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 6.372 -19.638 -13.090 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 8.011 -19.614 -13.533 1.00 10.00 H new ATOM 543 N GLY A 35 7.027 -13.579 -18.440 1.00 10.00 N ATOM 544 CA GLY A 35 6.474 -12.951 -19.627 1.00 10.00 C ATOM 545 C GLY A 35 5.072 -12.397 -19.368 1.00 10.00 C ATOM 546 O GLY A 35 4.196 -12.562 -20.220 1.00 10.00 O ATOM 0 H GLY A 35 7.709 -12.995 -17.957 1.00 10.00 H new ATOM 0 HA2 GLY A 35 7.131 -12.144 -19.952 1.00 10.00 H new ATOM 0 HA3 GLY A 35 6.435 -13.677 -20.439 1.00 10.00 H new ATOM 550 N TYR A 36 4.833 -11.778 -18.204 1.00 10.00 N ATOM 551 CA TYR A 36 3.577 -11.090 -17.908 1.00 10.00 C ATOM 552 C TYR A 36 3.807 -9.912 -16.955 1.00 10.00 C ATOM 553 O TYR A 36 4.884 -9.785 -16.370 1.00 10.00 O ATOM 554 CB TYR A 36 2.498 -12.073 -17.400 1.00 10.00 C ATOM 555 CG TYR A 36 2.784 -13.038 -16.251 1.00 10.00 C ATOM 556 CD1 TYR A 36 3.644 -12.719 -15.180 1.00 10.00 C ATOM 557 CD2 TYR A 36 2.082 -14.261 -16.220 1.00 10.00 C ATOM 558 CE1 TYR A 36 3.809 -13.609 -14.104 1.00 10.00 C ATOM 559 CE2 TYR A 36 2.242 -15.159 -15.148 1.00 10.00 C ATOM 560 CZ TYR A 36 3.109 -14.835 -14.081 1.00 10.00 C ATOM 561 OH TYR A 36 3.276 -15.687 -13.030 1.00 10.00 O ATOM 0 H TYR A 36 5.510 -11.742 -17.442 1.00 10.00 H new ATOM 0 HA TYR A 36 3.191 -10.670 -18.837 1.00 10.00 H new ATOM 0 HB2 TYR A 36 1.636 -11.475 -17.106 1.00 10.00 H new ATOM 0 HB3 TYR A 36 2.191 -12.677 -18.254 1.00 10.00 H new ATOM 0 HD1 TYR A 36 4.181 -11.782 -15.186 1.00 10.00 H new ATOM 0 HD2 TYR A 36 1.413 -14.512 -17.030 1.00 10.00 H new ATOM 0 HE1 TYR A 36 4.474 -13.354 -13.292 1.00 10.00 H new ATOM 0 HE2 TYR A 36 1.703 -16.095 -15.141 1.00 10.00 H new ATOM 0 HH TYR A 36 2.724 -16.485 -13.165 1.00 10.00 H new ATOM 571 N TRP A 37 2.804 -9.046 -16.782 1.00 10.00 N ATOM 572 CA TRP A 37 2.830 -8.062 -15.711 1.00 10.00 C ATOM 573 C TRP A 37 2.511 -8.755 -14.389 1.00 10.00 C ATOM 574 O TRP A 37 1.769 -9.740 -14.347 1.00 10.00 O ATOM 575 CB TRP A 37 1.827 -6.936 -15.976 1.00 10.00 C ATOM 576 CG TRP A 37 2.254 -5.911 -16.979 1.00 10.00 C ATOM 577 CD1 TRP A 37 1.954 -5.907 -18.296 1.00 10.00 C ATOM 578 CD2 TRP A 37 3.028 -4.695 -16.751 1.00 10.00 C ATOM 579 NE1 TRP A 37 2.475 -4.777 -18.893 1.00 10.00 N ATOM 580 CE2 TRP A 37 3.148 -3.989 -17.983 1.00 10.00 C ATOM 581 CE3 TRP A 37 3.623 -4.108 -15.615 1.00 10.00 C ATOM 582 CZ2 TRP A 37 3.823 -2.763 -18.081 1.00 10.00 C ATOM 583 CZ3 TRP A 37 4.320 -2.888 -15.703 1.00 10.00 C ATOM 584 CH2 TRP A 37 4.417 -2.213 -16.933 1.00 10.00 C ATOM 0 H TRP A 37 1.971 -9.011 -17.370 1.00 10.00 H new ATOM 0 HA TRP A 37 3.824 -7.617 -15.662 1.00 10.00 H new ATOM 0 HB2 TRP A 37 0.891 -7.380 -16.314 1.00 10.00 H new ATOM 0 HB3 TRP A 37 1.618 -6.430 -15.033 1.00 10.00 H new ATOM 0 HD1 TRP A 37 1.390 -6.674 -18.806 1.00 10.00 H new ATOM 0 HE1 TRP A 37 2.375 -4.553 -19.883 1.00 10.00 H new ATOM 0 HE3 TRP A 37 3.542 -4.604 -14.659 1.00 10.00 H new ATOM 0 HZ2 TRP A 37 3.885 -2.248 -19.028 1.00 10.00 H new ATOM 0 HZ3 TRP A 37 4.782 -2.468 -14.822 1.00 10.00 H new ATOM 0 HH2 TRP A 37 4.947 -1.274 -16.995 1.00 10.00 H new ATOM 595 N VAL A 38 3.030 -8.182 -13.310 1.00 10.00 N ATOM 596 CA VAL A 38 2.808 -8.570 -11.928 1.00 10.00 C ATOM 597 C VAL A 38 2.635 -7.261 -11.151 1.00 10.00 C ATOM 598 O VAL A 38 3.165 -6.227 -11.566 1.00 10.00 O ATOM 599 CB VAL A 38 4.013 -9.399 -11.424 1.00 10.00 C ATOM 600 CG1 VAL A 38 3.852 -9.832 -9.958 1.00 10.00 C ATOM 601 CG2 VAL A 38 4.234 -10.652 -12.287 1.00 10.00 C ATOM 0 H VAL A 38 3.658 -7.382 -13.385 1.00 10.00 H new ATOM 0 HA VAL A 38 1.928 -9.200 -11.801 1.00 10.00 H new ATOM 0 HB VAL A 38 4.879 -8.742 -11.502 1.00 10.00 H new ATOM 0 HG11 VAL A 38 4.723 -10.411 -9.652 1.00 10.00 H new ATOM 0 HG12 VAL A 38 3.762 -8.949 -9.325 1.00 10.00 H new ATOM 0 HG13 VAL A 38 2.956 -10.444 -9.856 1.00 10.00 H new ATOM 0 HG21 VAL A 38 5.088 -11.211 -11.905 1.00 10.00 H new ATOM 0 HG22 VAL A 38 3.344 -11.280 -12.251 1.00 10.00 H new ATOM 0 HG23 VAL A 38 4.427 -10.355 -13.318 1.00 10.00 H new ATOM 611 N GLY A 39 1.920 -7.268 -10.027 1.00 10.00 N ATOM 612 CA GLY A 39 1.823 -6.076 -9.203 1.00 10.00 C ATOM 613 C GLY A 39 1.310 -6.343 -7.801 1.00 10.00 C ATOM 614 O GLY A 39 0.707 -7.383 -7.520 1.00 10.00 O ATOM 0 H GLY A 39 1.408 -8.076 -9.674 1.00 10.00 H new ATOM 0 HA2 GLY A 39 2.806 -5.609 -9.138 1.00 10.00 H new ATOM 0 HA3 GLY A 39 1.162 -5.360 -9.692 1.00 10.00 H new ATOM 618 N ILE A 40 1.557 -5.355 -6.943 1.00 10.00 N ATOM 619 CA ILE A 40 0.990 -5.213 -5.615 1.00 10.00 C ATOM 620 C ILE A 40 -0.103 -4.179 -5.833 1.00 10.00 C ATOM 621 O ILE A 40 0.176 -3.098 -6.360 1.00 10.00 O ATOM 622 CB ILE A 40 2.046 -4.696 -4.606 1.00 10.00 C ATOM 623 CG1 ILE A 40 3.306 -5.593 -4.568 1.00 10.00 C ATOM 624 CG2 ILE A 40 1.417 -4.567 -3.203 1.00 10.00 C ATOM 625 CD1 ILE A 40 4.433 -5.039 -3.687 1.00 10.00 C ATOM 0 H ILE A 40 2.194 -4.593 -7.174 1.00 10.00 H new ATOM 0 HA ILE A 40 0.628 -6.152 -5.197 1.00 10.00 H new ATOM 0 HB ILE A 40 2.372 -3.711 -4.941 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.026 -6.582 -4.205 1.00 10.00 H new ATOM 0 HG13 ILE A 40 3.681 -5.721 -5.584 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.167 -4.203 -2.500 1.00 10.00 H new ATOM 0 HG22 ILE A 40 0.584 -3.865 -3.241 1.00 10.00 H new ATOM 0 HG23 ILE A 40 1.056 -5.542 -2.875 1.00 10.00 H new ATOM 0 HD11 ILE A 40 5.282 -5.722 -3.710 1.00 10.00 H new ATOM 0 HD12 ILE A 40 4.742 -4.063 -4.062 1.00 10.00 H new ATOM 0 HD13 ILE A 40 4.077 -4.938 -2.662 1.00 10.00 H new ATOM 637 N TYR A 41 -1.342 -4.492 -5.473 1.00 10.00 N ATOM 638 CA TYR A 41 -2.460 -3.678 -5.903 1.00 10.00 C ATOM 639 C TYR A 41 -3.498 -3.658 -4.802 1.00 10.00 C ATOM 640 O TYR A 41 -3.925 -4.706 -4.331 1.00 10.00 O ATOM 641 CB TYR A 41 -3.015 -4.250 -7.219 1.00 10.00 C ATOM 642 CG TYR A 41 -3.006 -3.249 -8.355 1.00 10.00 C ATOM 643 CD1 TYR A 41 -3.827 -2.112 -8.271 1.00 10.00 C ATOM 644 CD2 TYR A 41 -2.203 -3.449 -9.493 1.00 10.00 C ATOM 645 CE1 TYR A 41 -3.888 -1.202 -9.339 1.00 10.00 C ATOM 646 CE2 TYR A 41 -2.266 -2.549 -10.572 1.00 10.00 C ATOM 647 CZ TYR A 41 -3.113 -1.423 -10.495 1.00 10.00 C ATOM 648 OH TYR A 41 -3.114 -0.492 -11.484 1.00 10.00 O ATOM 0 H TYR A 41 -1.591 -5.293 -4.893 1.00 10.00 H new ATOM 0 HA TYR A 41 -2.153 -2.649 -6.092 1.00 10.00 H new ATOM 0 HB2 TYR A 41 -2.426 -5.121 -7.506 1.00 10.00 H new ATOM 0 HB3 TYR A 41 -4.036 -4.595 -7.056 1.00 10.00 H new ATOM 0 HD1 TYR A 41 -4.414 -1.937 -7.381 1.00 10.00 H new ATOM 0 HD2 TYR A 41 -1.536 -4.297 -9.538 1.00 10.00 H new ATOM 0 HE1 TYR A 41 -4.528 -0.334 -9.274 1.00 10.00 H new ATOM 0 HE2 TYR A 41 -1.669 -2.719 -11.456 1.00 10.00 H new ATOM 0 HH TYR A 41 -2.458 0.206 -11.277 1.00 10.00 H new ATOM 658 N GLU A 42 -3.955 -2.470 -4.419 1.00 10.00 N ATOM 659 CA GLU A 42 -5.075 -2.314 -3.508 1.00 10.00 C ATOM 660 C GLU A 42 -6.325 -1.998 -4.337 1.00 10.00 C ATOM 661 O GLU A 42 -7.158 -1.236 -3.874 1.00 10.00 O ATOM 662 CB GLU A 42 -4.740 -1.261 -2.425 1.00 10.00 C ATOM 663 CG GLU A 42 -5.517 -1.501 -1.122 1.00 10.00 C ATOM 664 CD GLU A 42 -5.187 -0.432 -0.065 1.00 10.00 C ATOM 665 OE1 GLU A 42 -4.195 -0.591 0.682 1.00 10.00 O ATOM 666 OE2 GLU A 42 -5.930 0.569 0.049 1.00 10.00 O ATOM 0 H GLU A 42 -3.555 -1.587 -4.735 1.00 10.00 H new ATOM 0 HA GLU A 42 -5.278 -3.232 -2.956 1.00 10.00 H new ATOM 0 HB2 GLU A 42 -3.670 -1.284 -2.217 1.00 10.00 H new ATOM 0 HB3 GLU A 42 -4.970 -0.266 -2.805 1.00 10.00 H new ATOM 0 HG2 GLU A 42 -6.587 -1.492 -1.328 1.00 10.00 H new ATOM 0 HG3 GLU A 42 -5.276 -2.489 -0.730 1.00 10.00 H new ATOM 673 N VAL A 43 -6.465 -2.541 -5.562 1.00 10.00 N ATOM 674 CA VAL A 43 -7.714 -2.495 -6.335 1.00 10.00 C ATOM 675 C VAL A 43 -7.803 -3.640 -7.356 1.00 10.00 C ATOM 676 O VAL A 43 -8.838 -4.308 -7.414 1.00 10.00 O ATOM 677 CB VAL A 43 -7.956 -1.103 -6.984 1.00 10.00 C ATOM 678 CG1 VAL A 43 -6.848 -0.573 -7.894 1.00 10.00 C ATOM 679 CG2 VAL A 43 -9.273 -1.060 -7.763 1.00 10.00 C ATOM 0 H VAL A 43 -5.708 -3.026 -6.043 1.00 10.00 H new ATOM 0 HA VAL A 43 -8.527 -2.647 -5.625 1.00 10.00 H new ATOM 0 HB VAL A 43 -7.981 -0.445 -6.116 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -7.134 0.403 -8.285 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -5.923 -0.479 -7.325 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -6.695 -1.265 -8.722 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -9.405 -0.071 -8.201 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -9.251 -1.808 -8.556 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -10.102 -1.271 -7.088 1.00 10.00 H new ATOM 689 N TRP A 44 -6.755 -3.874 -8.156 1.00 10.00 N ATOM 690 CA TRP A 44 -6.787 -4.880 -9.216 1.00 10.00 C ATOM 691 C TRP A 44 -6.893 -6.289 -8.609 1.00 10.00 C ATOM 692 O TRP A 44 -6.545 -6.495 -7.444 1.00 10.00 O ATOM 693 CB TRP A 44 -5.551 -4.714 -10.118 1.00 10.00 C ATOM 694 CG TRP A 44 -5.546 -5.446 -11.427 1.00 10.00 C ATOM 695 CD1 TRP A 44 -6.617 -5.663 -12.223 1.00 10.00 C ATOM 696 CD2 TRP A 44 -4.406 -6.015 -12.149 1.00 10.00 C ATOM 697 NE1 TRP A 44 -6.235 -6.380 -13.333 1.00 10.00 N ATOM 698 CE2 TRP A 44 -4.881 -6.629 -13.345 1.00 10.00 C ATOM 699 CE3 TRP A 44 -3.015 -6.084 -11.912 1.00 10.00 C ATOM 700 CZ2 TRP A 44 -4.029 -7.298 -14.239 1.00 10.00 C ATOM 701 CZ3 TRP A 44 -2.148 -6.747 -12.801 1.00 10.00 C ATOM 702 CH2 TRP A 44 -2.654 -7.363 -13.959 1.00 10.00 C ATOM 0 H TRP A 44 -5.869 -3.374 -8.085 1.00 10.00 H new ATOM 0 HA TRP A 44 -7.670 -4.740 -9.839 1.00 10.00 H new ATOM 0 HB2 TRP A 44 -5.427 -3.651 -10.326 1.00 10.00 H new ATOM 0 HB3 TRP A 44 -4.676 -5.032 -9.551 1.00 10.00 H new ATOM 0 HD1 TRP A 44 -7.622 -5.324 -12.018 1.00 10.00 H new ATOM 0 HE1 TRP A 44 -6.879 -6.690 -14.061 1.00 10.00 H new ATOM 0 HE3 TRP A 44 -2.607 -5.617 -11.028 1.00 10.00 H new ATOM 0 HZ2 TRP A 44 -4.427 -7.757 -15.132 1.00 10.00 H new ATOM 0 HZ3 TRP A 44 -1.089 -6.783 -12.592 1.00 10.00 H new ATOM 0 HH2 TRP A 44 -1.988 -7.884 -14.631 1.00 10.00 H new