USER MOD reduce.3.24.130724 H: found=0, std=0, add=343, rem=0, adj=10 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 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 9 ASN : amide:sc= -0.123 K(o=-0.12,f=-5.1!) USER MOD Single : A 11 ASN : amide:sc= -0.0388 X(o=-0.039,f=-0.42) 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+ 180:sc= 0 (180deg=0) 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= 0.0365 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 97:sc= -0.0877 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -4.245 -5.160 0.610 1.00 10.00 N ATOM 14 CA ILE A 2 -3.769 -5.397 -0.752 1.00 10.00 C ATOM 15 C ILE A 2 -4.189 -6.778 -1.288 1.00 10.00 C ATOM 16 O ILE A 2 -4.549 -7.697 -0.547 1.00 10.00 O ATOM 17 CB ILE A 2 -2.234 -5.161 -0.867 1.00 10.00 C ATOM 18 CG1 ILE A 2 -1.349 -5.712 0.275 1.00 10.00 C ATOM 19 CG2 ILE A 2 -1.960 -3.655 -0.999 1.00 10.00 C ATOM 20 CD1 ILE A 2 -1.446 -7.224 0.493 1.00 10.00 C ATOM 0 HA ILE A 2 -4.257 -4.663 -1.393 1.00 10.00 H new ATOM 0 HB ILE A 2 -1.949 -5.734 -1.749 1.00 10.00 H new ATOM 0 HG12 ILE A 2 -0.310 -5.456 0.066 1.00 10.00 H new ATOM 0 HG13 ILE A 2 -1.622 -5.208 1.202 1.00 10.00 H new ATOM 0 HG21 ILE A 2 -0.886 -3.486 -1.080 1.00 10.00 H new ATOM 0 HG22 ILE A 2 -2.456 -3.272 -1.891 1.00 10.00 H new ATOM 0 HG23 ILE A 2 -2.344 -3.137 -0.120 1.00 10.00 H new ATOM 0 HD11 ILE A 2 -0.791 -7.516 1.313 1.00 10.00 H new ATOM 0 HD12 ILE A 2 -2.474 -7.491 0.737 1.00 10.00 H new ATOM 0 HD13 ILE A 2 -1.142 -7.743 -0.416 1.00 10.00 H new ATOM 32 N LYS A 3 -4.077 -6.908 -2.606 1.00 10.00 N ATOM 33 CA LYS A 3 -4.119 -8.119 -3.407 1.00 10.00 C ATOM 34 C LYS A 3 -2.777 -8.188 -4.141 1.00 10.00 C ATOM 35 O LYS A 3 -2.050 -7.192 -4.232 1.00 10.00 O ATOM 36 CB LYS A 3 -5.281 -8.029 -4.417 1.00 10.00 C ATOM 37 CG LYS A 3 -6.668 -8.188 -3.775 1.00 10.00 C ATOM 38 CD LYS A 3 -7.773 -7.890 -4.802 1.00 10.00 C ATOM 39 CE LYS A 3 -9.174 -8.258 -4.286 1.00 10.00 C ATOM 40 NZ LYS A 3 -9.434 -9.719 -4.353 1.00 10.00 N ATOM 0 H LYS A 3 -3.941 -6.086 -3.194 1.00 10.00 H new ATOM 0 HA LYS A 3 -4.278 -9.007 -2.796 1.00 10.00 H new ATOM 0 HB2 LYS A 3 -5.234 -7.067 -4.927 1.00 10.00 H new ATOM 0 HB3 LYS A 3 -5.151 -8.799 -5.177 1.00 10.00 H new ATOM 0 HG2 LYS A 3 -6.784 -9.202 -3.391 1.00 10.00 H new ATOM 0 HG3 LYS A 3 -6.762 -7.512 -2.925 1.00 10.00 H new ATOM 0 HD2 LYS A 3 -7.751 -6.831 -5.057 1.00 10.00 H new ATOM 0 HD3 LYS A 3 -7.571 -8.443 -5.719 1.00 10.00 H new ATOM 0 HE2 LYS A 3 -9.280 -7.919 -3.255 1.00 10.00 H new ATOM 0 HE3 LYS A 3 -9.925 -7.730 -4.873 1.00 10.00 H new ATOM 0 HZ1 LYS A 3 -10.390 -9.918 -3.995 1.00 10.00 H new ATOM 0 HZ2 LYS A 3 -9.360 -10.040 -5.339 1.00 10.00 H new ATOM 0 HZ3 LYS A 3 -8.734 -10.223 -3.772 1.00 10.00 H new ATOM 54 N LEU A 4 -2.463 -9.353 -4.698 1.00 10.00 N ATOM 55 CA LEU A 4 -1.285 -9.587 -5.527 1.00 10.00 C ATOM 56 C LEU A 4 -1.812 -10.209 -6.813 1.00 10.00 C ATOM 57 O LEU A 4 -2.716 -11.049 -6.755 1.00 10.00 O ATOM 58 CB LEU A 4 -0.298 -10.542 -4.827 1.00 10.00 C ATOM 59 CG LEU A 4 0.278 -10.038 -3.487 1.00 10.00 C ATOM 60 CD1 LEU A 4 1.184 -11.112 -2.876 1.00 10.00 C ATOM 61 CD2 LEU A 4 1.077 -8.742 -3.643 1.00 10.00 C ATOM 0 H LEU A 4 -3.039 -10.187 -4.582 1.00 10.00 H new ATOM 0 HA LEU A 4 -0.739 -8.663 -5.716 1.00 10.00 H new ATOM 0 HB2 LEU A 4 -0.802 -11.492 -4.651 1.00 10.00 H new ATOM 0 HB3 LEU A 4 0.531 -10.742 -5.506 1.00 10.00 H new ATOM 0 HG LEU A 4 -0.569 -9.831 -2.833 1.00 10.00 H new ATOM 0 HD11 LEU A 4 1.588 -10.752 -1.930 1.00 10.00 H new ATOM 0 HD12 LEU A 4 0.606 -12.019 -2.701 1.00 10.00 H new ATOM 0 HD13 LEU A 4 2.003 -11.330 -3.561 1.00 10.00 H new ATOM 0 HD21 LEU A 4 1.460 -8.431 -2.671 1.00 10.00 H new ATOM 0 HD22 LEU A 4 1.911 -8.909 -4.325 1.00 10.00 H new ATOM 0 HD23 LEU A 4 0.430 -7.962 -4.044 1.00 10.00 H new ATOM 73 N VAL A 5 -1.290 -9.790 -7.966 1.00 10.00 N ATOM 74 CA VAL A 5 -1.875 -10.124 -9.264 1.00 10.00 C ATOM 75 C VAL A 5 -0.744 -10.414 -10.252 1.00 10.00 C ATOM 76 O VAL A 5 0.330 -9.817 -10.152 1.00 10.00 O ATOM 77 CB VAL A 5 -2.784 -8.969 -9.759 1.00 10.00 C ATOM 78 CG1 VAL A 5 -3.718 -9.465 -10.874 1.00 10.00 C ATOM 79 CG2 VAL A 5 -3.676 -8.341 -8.670 1.00 10.00 C ATOM 0 H VAL A 5 -0.452 -9.211 -8.026 1.00 10.00 H new ATOM 0 HA VAL A 5 -2.502 -11.011 -9.176 1.00 10.00 H new ATOM 0 HB VAL A 5 -2.089 -8.205 -10.106 1.00 10.00 H new ATOM 0 HG11 VAL A 5 -4.350 -8.644 -11.211 1.00 10.00 H new ATOM 0 HG12 VAL A 5 -3.123 -9.832 -11.710 1.00 10.00 H new ATOM 0 HG13 VAL A 5 -4.344 -10.271 -10.492 1.00 10.00 H new ATOM 0 HG21 VAL A 5 -4.276 -7.543 -9.107 1.00 10.00 H new ATOM 0 HG22 VAL A 5 -4.334 -9.104 -8.254 1.00 10.00 H new ATOM 0 HG23 VAL A 5 -3.049 -7.931 -7.878 1.00 10.00 H new ATOM 89 N GLN A 6 -0.996 -11.317 -11.206 1.00 10.00 N ATOM 90 CA GLN A 6 -0.096 -11.663 -12.301 1.00 10.00 C ATOM 91 C GLN A 6 -0.974 -11.941 -13.524 1.00 10.00 C ATOM 92 O GLN A 6 -1.756 -12.896 -13.484 1.00 10.00 O ATOM 93 CB GLN A 6 0.739 -12.916 -11.964 1.00 10.00 C ATOM 94 CG GLN A 6 1.528 -12.838 -10.649 1.00 10.00 C ATOM 95 CD GLN A 6 2.495 -14.014 -10.495 1.00 10.00 C ATOM 96 OE1 GLN A 6 2.099 -15.177 -10.518 1.00 10.00 O ATOM 97 NE2 GLN A 6 3.782 -13.747 -10.327 1.00 10.00 N ATOM 0 H GLN A 6 -1.868 -11.845 -11.233 1.00 10.00 H new ATOM 0 HA GLN A 6 0.604 -10.848 -12.484 1.00 10.00 H new ATOM 0 HB2 GLN A 6 0.072 -13.777 -11.919 1.00 10.00 H new ATOM 0 HB3 GLN A 6 1.439 -13.097 -12.780 1.00 10.00 H new ATOM 0 HG2 GLN A 6 2.086 -11.902 -10.615 1.00 10.00 H new ATOM 0 HG3 GLN A 6 0.834 -12.826 -9.809 1.00 10.00 H new ATOM 0 HE21 GLN A 6 4.104 -12.779 -10.309 1.00 10.00 H new ATOM 0 HE22 GLN A 6 4.451 -14.509 -10.216 1.00 10.00 H new ATOM 106 N SER A 7 -0.875 -11.134 -14.585 1.00 10.00 N ATOM 107 CA SER A 7 -1.673 -11.292 -15.804 1.00 10.00 C ATOM 108 C SER A 7 -0.908 -10.692 -16.991 1.00 10.00 C ATOM 109 O SER A 7 -0.172 -9.722 -16.804 1.00 10.00 O ATOM 110 CB SER A 7 -3.025 -10.567 -15.680 1.00 10.00 C ATOM 111 OG SER A 7 -3.668 -10.813 -14.443 1.00 10.00 O ATOM 0 H SER A 7 -0.231 -10.344 -14.622 1.00 10.00 H new ATOM 0 HA SER A 7 -1.854 -12.356 -15.956 1.00 10.00 H new ATOM 0 HB2 SER A 7 -2.869 -9.495 -15.796 1.00 10.00 H new ATOM 0 HB3 SER A 7 -3.678 -10.884 -16.493 1.00 10.00 H new ATOM 0 HG SER A 7 -4.520 -10.329 -14.415 1.00 10.00 H new ATOM 117 N PRO A 8 -1.073 -11.204 -18.222 1.00 10.00 N ATOM 118 CA PRO A 8 -0.313 -10.717 -19.371 1.00 10.00 C ATOM 119 C PRO A 8 -0.698 -9.290 -19.784 1.00 10.00 C ATOM 120 O PRO A 8 0.131 -8.582 -20.358 1.00 10.00 O ATOM 121 CB PRO A 8 -0.578 -11.729 -20.491 1.00 10.00 C ATOM 122 CG PRO A 8 -1.937 -12.330 -20.129 1.00 10.00 C ATOM 123 CD PRO A 8 -1.918 -12.329 -18.602 1.00 10.00 C ATOM 0 HA PRO A 8 0.748 -10.645 -19.131 1.00 10.00 H new ATOM 0 HB2 PRO A 8 -0.602 -11.247 -21.468 1.00 10.00 H new ATOM 0 HB3 PRO A 8 0.199 -12.493 -20.532 1.00 10.00 H new ATOM 0 HG2 PRO A 8 -2.760 -11.733 -20.523 1.00 10.00 H new ATOM 0 HG3 PRO A 8 -2.053 -13.337 -20.530 1.00 10.00 H new ATOM 0 HD2 PRO A 8 -2.924 -12.218 -18.197 1.00 10.00 H new ATOM 0 HD3 PRO A 8 -1.520 -13.267 -18.214 1.00 10.00 H new ATOM 131 N ASN A 9 -1.935 -8.857 -19.509 1.00 10.00 N ATOM 132 CA ASN A 9 -2.465 -7.585 -20.004 1.00 10.00 C ATOM 133 C ASN A 9 -2.038 -6.369 -19.172 1.00 10.00 C ATOM 134 O ASN A 9 -2.109 -5.254 -19.689 1.00 10.00 O ATOM 135 CB ASN A 9 -4.000 -7.644 -20.142 1.00 10.00 C ATOM 136 CG ASN A 9 -4.784 -7.695 -18.830 1.00 10.00 C ATOM 137 OD1 ASN A 9 -4.227 -7.743 -17.739 1.00 10.00 O ATOM 138 ND2 ASN A 9 -6.103 -7.707 -18.904 1.00 10.00 N ATOM 0 H ASN A 9 -2.596 -9.382 -18.936 1.00 10.00 H new ATOM 0 HA ASN A 9 -2.023 -7.443 -20.990 1.00 10.00 H new ATOM 0 HB2 ASN A 9 -4.329 -6.772 -20.706 1.00 10.00 H new ATOM 0 HB3 ASN A 9 -4.259 -8.522 -20.733 1.00 10.00 H new ATOM 0 HD21 ASN A 9 -6.661 -7.756 -18.052 1.00 10.00 H new ATOM 0 HD22 ASN A 9 -6.563 -7.667 -19.813 1.00 10.00 H new ATOM 145 N GLY A 10 -1.592 -6.556 -17.921 1.00 10.00 N ATOM 146 CA GLY A 10 -1.242 -5.469 -17.007 1.00 10.00 C ATOM 147 C GLY A 10 -2.309 -4.378 -16.943 1.00 10.00 C ATOM 148 O GLY A 10 -1.971 -3.200 -17.077 1.00 10.00 O ATOM 0 H GLY A 10 -1.464 -7.482 -17.514 1.00 10.00 H new ATOM 0 HA2 GLY A 10 -1.087 -5.877 -16.008 1.00 10.00 H new ATOM 0 HA3 GLY A 10 -0.296 -5.027 -17.321 1.00 10.00 H new ATOM 152 N ASN A 11 -3.588 -4.760 -16.825 1.00 10.00 N ATOM 153 CA ASN A 11 -4.736 -3.850 -16.835 1.00 10.00 C ATOM 154 C ASN A 11 -4.740 -2.906 -15.620 1.00 10.00 C ATOM 155 O ASN A 11 -5.409 -3.158 -14.619 1.00 10.00 O ATOM 156 CB ASN A 11 -6.045 -4.644 -16.941 1.00 10.00 C ATOM 157 CG ASN A 11 -7.277 -3.741 -16.878 1.00 10.00 C ATOM 158 OD1 ASN A 11 -7.269 -2.607 -17.352 1.00 10.00 O ATOM 159 ND2 ASN A 11 -8.365 -4.230 -16.311 1.00 10.00 N ATOM 0 H ASN A 11 -3.857 -5.738 -16.717 1.00 10.00 H new ATOM 0 HA ASN A 11 -4.649 -3.214 -17.716 1.00 10.00 H new ATOM 0 HB2 ASN A 11 -6.054 -5.203 -17.877 1.00 10.00 H new ATOM 0 HB3 ASN A 11 -6.091 -5.375 -16.133 1.00 10.00 H new ATOM 0 HD21 ASN A 11 -9.213 -3.665 -16.262 1.00 10.00 H new ATOM 0 HD22 ASN A 11 -8.357 -5.173 -15.922 1.00 10.00 H new ATOM 166 N PHE A 12 -3.959 -1.829 -15.706 1.00 10.00 N ATOM 167 CA PHE A 12 -3.862 -0.779 -14.704 1.00 10.00 C ATOM 168 C PHE A 12 -5.246 -0.159 -14.465 1.00 10.00 C ATOM 169 O PHE A 12 -5.864 0.354 -15.402 1.00 10.00 O ATOM 170 CB PHE A 12 -2.824 0.251 -15.179 1.00 10.00 C ATOM 171 CG PHE A 12 -2.736 1.534 -14.370 1.00 10.00 C ATOM 172 CD1 PHE A 12 -1.924 1.605 -13.220 1.00 10.00 C ATOM 173 CD2 PHE A 12 -3.432 2.682 -14.797 1.00 10.00 C ATOM 174 CE1 PHE A 12 -1.821 2.809 -12.499 1.00 10.00 C ATOM 175 CE2 PHE A 12 -3.318 3.887 -14.083 1.00 10.00 C ATOM 176 CZ PHE A 12 -2.516 3.950 -12.931 1.00 10.00 C ATOM 0 H PHE A 12 -3.354 -1.662 -16.510 1.00 10.00 H new ATOM 0 HA PHE A 12 -3.529 -1.179 -13.746 1.00 10.00 H new ATOM 0 HB2 PHE A 12 -1.843 -0.224 -15.176 1.00 10.00 H new ATOM 0 HB3 PHE A 12 -3.049 0.512 -16.213 1.00 10.00 H new ATOM 0 HD1 PHE A 12 -1.379 0.732 -12.891 1.00 10.00 H new ATOM 0 HD2 PHE A 12 -4.056 2.636 -15.677 1.00 10.00 H new ATOM 0 HE1 PHE A 12 -1.206 2.856 -11.612 1.00 10.00 H new ATOM 0 HE2 PHE A 12 -3.848 4.766 -14.420 1.00 10.00 H new ATOM 0 HZ PHE A 12 -2.434 4.875 -12.379 1.00 10.00 H new ATOM 186 N ALA A 13 -5.728 -0.208 -13.217 1.00 10.00 N ATOM 187 CA ALA A 13 -7.083 0.213 -12.849 1.00 10.00 C ATOM 188 C ALA A 13 -7.135 1.597 -12.179 1.00 10.00 C ATOM 189 O ALA A 13 -8.229 2.134 -12.011 1.00 10.00 O ATOM 190 CB ALA A 13 -7.696 -0.845 -11.924 1.00 10.00 C ATOM 0 H ALA A 13 -5.180 -0.545 -12.426 1.00 10.00 H new ATOM 0 HA ALA A 13 -7.657 0.304 -13.771 1.00 10.00 H new ATOM 0 HB1 ALA A 13 -8.705 -0.542 -11.643 1.00 10.00 H new ATOM 0 HB2 ALA A 13 -7.736 -1.803 -12.443 1.00 10.00 H new ATOM 0 HB3 ALA A 13 -7.084 -0.943 -11.027 1.00 10.00 H new ATOM 196 N ALA A 14 -5.981 2.170 -11.813 1.00 10.00 N ATOM 197 CA ALA A 14 -5.778 3.351 -10.964 1.00 10.00 C ATOM 198 C ALA A 14 -6.455 3.284 -9.583 1.00 10.00 C ATOM 199 O ALA A 14 -5.750 3.282 -8.573 1.00 10.00 O ATOM 200 CB ALA A 14 -6.144 4.638 -11.718 1.00 10.00 C ATOM 0 H ALA A 14 -5.090 1.787 -12.130 1.00 10.00 H new ATOM 0 HA ALA A 14 -4.711 3.364 -10.739 1.00 10.00 H new ATOM 0 HB1 ALA A 14 -5.985 5.498 -11.068 1.00 10.00 H new ATOM 0 HB2 ALA A 14 -5.516 4.732 -12.604 1.00 10.00 H new ATOM 0 HB3 ALA A 14 -7.191 4.599 -12.018 1.00 10.00 H new ATOM 206 N SER A 15 -7.785 3.230 -9.509 1.00 10.00 N ATOM 207 CA SER A 15 -8.553 3.255 -8.267 1.00 10.00 C ATOM 208 C SER A 15 -10.009 2.843 -8.518 1.00 10.00 C ATOM 209 O SER A 15 -10.473 2.832 -9.662 1.00 10.00 O ATOM 210 CB SER A 15 -8.467 4.653 -7.624 1.00 10.00 C ATOM 211 OG SER A 15 -8.666 5.697 -8.569 1.00 10.00 O ATOM 0 H SER A 15 -8.375 3.166 -10.339 1.00 10.00 H new ATOM 0 HA SER A 15 -8.125 2.532 -7.573 1.00 10.00 H new ATOM 0 HB2 SER A 15 -9.214 4.734 -6.835 1.00 10.00 H new ATOM 0 HB3 SER A 15 -7.492 4.774 -7.153 1.00 10.00 H new ATOM 0 HG SER A 15 -8.605 6.564 -8.116 1.00 10.00 H new ATOM 217 N PHE A 16 -10.729 2.500 -7.445 1.00 10.00 N ATOM 218 CA PHE A 16 -12.132 2.091 -7.451 1.00 10.00 C ATOM 219 C PHE A 16 -12.707 2.310 -6.042 1.00 10.00 C ATOM 220 O PHE A 16 -11.982 2.694 -5.120 1.00 10.00 O ATOM 221 CB PHE A 16 -12.218 0.610 -7.873 1.00 10.00 C ATOM 222 CG PHE A 16 -13.604 0.066 -8.169 1.00 10.00 C ATOM 223 CD1 PHE A 16 -14.390 0.646 -9.184 1.00 10.00 C ATOM 224 CD2 PHE A 16 -14.095 -1.049 -7.459 1.00 10.00 C ATOM 225 CE1 PHE A 16 -15.662 0.124 -9.477 1.00 10.00 C ATOM 226 CE2 PHE A 16 -15.363 -1.576 -7.762 1.00 10.00 C ATOM 227 CZ PHE A 16 -16.150 -0.986 -8.767 1.00 10.00 C ATOM 0 H PHE A 16 -10.328 2.501 -6.507 1.00 10.00 H new ATOM 0 HA PHE A 16 -12.713 2.681 -8.160 1.00 10.00 H new ATOM 0 HB2 PHE A 16 -11.601 0.473 -8.761 1.00 10.00 H new ATOM 0 HB3 PHE A 16 -11.776 0.004 -7.082 1.00 10.00 H new ATOM 0 HD1 PHE A 16 -14.015 1.494 -9.738 1.00 10.00 H new ATOM 0 HD2 PHE A 16 -13.496 -1.499 -6.681 1.00 10.00 H new ATOM 0 HE1 PHE A 16 -16.265 0.577 -10.250 1.00 10.00 H new ATOM 0 HE2 PHE A 16 -15.733 -2.435 -7.222 1.00 10.00 H new ATOM 0 HZ PHE A 16 -17.128 -1.385 -8.993 1.00 10.00 H new ATOM 237 N VAL A 17 -13.995 2.032 -5.846 1.00 10.00 N ATOM 238 CA VAL A 17 -14.639 2.039 -4.540 1.00 10.00 C ATOM 239 C VAL A 17 -15.670 0.905 -4.549 1.00 10.00 C ATOM 240 O VAL A 17 -16.354 0.694 -5.554 1.00 10.00 O ATOM 241 CB VAL A 17 -15.209 3.447 -4.240 1.00 10.00 C ATOM 242 CG1 VAL A 17 -16.297 3.907 -5.225 1.00 10.00 C ATOM 243 CG2 VAL A 17 -15.736 3.561 -2.804 1.00 10.00 C ATOM 0 H VAL A 17 -14.630 1.791 -6.607 1.00 10.00 H new ATOM 0 HA VAL A 17 -13.947 1.849 -3.720 1.00 10.00 H new ATOM 0 HB VAL A 17 -14.357 4.115 -4.367 1.00 10.00 H new ATOM 0 HG11 VAL A 17 -16.644 4.902 -4.946 1.00 10.00 H new ATOM 0 HG12 VAL A 17 -15.886 3.936 -6.234 1.00 10.00 H new ATOM 0 HG13 VAL A 17 -17.134 3.209 -5.194 1.00 10.00 H new ATOM 0 HG21 VAL A 17 -16.126 4.565 -2.638 1.00 10.00 H new ATOM 0 HG22 VAL A 17 -16.532 2.832 -2.650 1.00 10.00 H new ATOM 0 HG23 VAL A 17 -14.925 3.366 -2.102 1.00 10.00 H new ATOM 253 N LEU A 18 -15.753 0.150 -3.453 1.00 10.00 N ATOM 254 CA LEU A 18 -16.585 -1.040 -3.329 1.00 10.00 C ATOM 255 C LEU A 18 -17.009 -1.151 -1.871 1.00 10.00 C ATOM 256 O LEU A 18 -16.151 -1.143 -0.988 1.00 10.00 O ATOM 257 CB LEU A 18 -15.772 -2.280 -3.754 1.00 10.00 C ATOM 258 CG LEU A 18 -16.486 -3.630 -3.543 1.00 10.00 C ATOM 259 CD1 LEU A 18 -17.751 -3.759 -4.399 1.00 10.00 C ATOM 260 CD2 LEU A 18 -15.526 -4.774 -3.888 1.00 10.00 C ATOM 0 H LEU A 18 -15.227 0.358 -2.604 1.00 10.00 H new ATOM 0 HA LEU A 18 -17.464 -0.975 -3.970 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -15.514 -2.183 -4.809 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -14.835 -2.290 -3.197 1.00 10.00 H new ATOM 0 HG LEU A 18 -16.786 -3.681 -2.496 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -18.218 -4.727 -4.215 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -18.449 -2.964 -4.138 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -17.487 -3.678 -5.453 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -16.030 -5.729 -3.739 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -15.215 -4.686 -4.929 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -14.650 -4.721 -3.242 1.00 10.00 H new ATOM 272 N ASP A 19 -18.316 -1.274 -1.634 1.00 10.00 N ATOM 273 CA ASP A 19 -18.941 -1.476 -0.322 1.00 10.00 C ATOM 274 C ASP A 19 -18.366 -0.557 0.770 1.00 10.00 C ATOM 275 O ASP A 19 -18.013 -0.988 1.869 1.00 10.00 O ATOM 276 CB ASP A 19 -18.930 -2.969 0.045 1.00 10.00 C ATOM 277 CG ASP A 19 -19.745 -3.265 1.319 1.00 10.00 C ATOM 278 OD1 ASP A 19 -20.869 -2.734 1.472 1.00 10.00 O ATOM 279 OD2 ASP A 19 -19.295 -4.085 2.152 1.00 10.00 O ATOM 0 H ASP A 19 -19.003 -1.234 -2.387 1.00 10.00 H new ATOM 0 HA ASP A 19 -19.985 -1.170 -0.392 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -19.335 -3.548 -0.785 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -17.901 -3.297 0.190 1.00 10.00 H new ATOM 284 N GLY A 20 -18.227 0.732 0.440 1.00 10.00 N ATOM 285 CA GLY A 20 -17.788 1.764 1.376 1.00 10.00 C ATOM 286 C GLY A 20 -16.286 1.726 1.680 1.00 10.00 C ATOM 287 O GLY A 20 -15.846 2.378 2.629 1.00 10.00 O ATOM 0 H GLY A 20 -18.419 1.088 -0.496 1.00 10.00 H new ATOM 0 HA2 GLY A 20 -18.042 2.743 0.969 1.00 10.00 H new ATOM 0 HA3 GLY A 20 -18.341 1.654 2.309 1.00 10.00 H new ATOM 291 N THR A 21 -15.498 0.995 0.889 1.00 10.00 N ATOM 292 CA THR A 21 -14.048 0.904 1.006 1.00 10.00 C ATOM 293 C THR A 21 -13.472 1.436 -0.307 1.00 10.00 C ATOM 294 O THR A 21 -13.938 1.052 -1.382 1.00 10.00 O ATOM 295 CB THR A 21 -13.666 -0.567 1.274 1.00 10.00 C ATOM 296 OG1 THR A 21 -14.384 -1.072 2.389 1.00 10.00 O ATOM 297 CG2 THR A 21 -12.171 -0.754 1.553 1.00 10.00 C ATOM 0 H THR A 21 -15.869 0.432 0.124 1.00 10.00 H new ATOM 0 HA THR A 21 -13.648 1.491 1.833 1.00 10.00 H new ATOM 0 HB THR A 21 -13.920 -1.111 0.365 1.00 10.00 H new ATOM 0 HG1 THR A 21 -14.132 -2.006 2.545 1.00 10.00 H new ATOM 0 HG21 THR A 21 -11.964 -1.809 1.734 1.00 10.00 H new ATOM 0 HG22 THR A 21 -11.595 -0.413 0.693 1.00 10.00 H new ATOM 0 HG23 THR A 21 -11.889 -0.173 2.431 1.00 10.00 H new ATOM 305 N LYS A 22 -12.494 2.344 -0.239 1.00 10.00 N ATOM 306 CA LYS A 22 -11.786 2.833 -1.422 1.00 10.00 C ATOM 307 C LYS A 22 -10.627 1.882 -1.725 1.00 10.00 C ATOM 308 O LYS A 22 -10.072 1.260 -0.816 1.00 10.00 O ATOM 309 CB LYS A 22 -11.318 4.280 -1.188 1.00 10.00 C ATOM 310 CG LYS A 22 -10.790 4.940 -2.474 1.00 10.00 C ATOM 311 CD LYS A 22 -10.508 6.433 -2.266 1.00 10.00 C ATOM 312 CE LYS A 22 -9.979 7.050 -3.568 1.00 10.00 C ATOM 313 NZ LYS A 22 -9.718 8.505 -3.434 1.00 10.00 N ATOM 0 H LYS A 22 -12.173 2.759 0.636 1.00 10.00 H new ATOM 0 HA LYS A 22 -12.444 2.851 -2.291 1.00 10.00 H new ATOM 0 HB2 LYS A 22 -12.147 4.868 -0.795 1.00 10.00 H new ATOM 0 HB3 LYS A 22 -10.534 4.288 -0.431 1.00 10.00 H new ATOM 0 HG2 LYS A 22 -9.877 4.437 -2.793 1.00 10.00 H new ATOM 0 HG3 LYS A 22 -11.519 4.815 -3.274 1.00 10.00 H new ATOM 0 HD2 LYS A 22 -11.419 6.944 -1.955 1.00 10.00 H new ATOM 0 HD3 LYS A 22 -9.779 6.567 -1.467 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -9.059 6.543 -3.861 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -10.702 6.884 -4.366 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -9.362 8.879 -4.337 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -10.600 8.994 -3.180 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -9.008 8.663 -2.690 1.00 10.00 H new ATOM 327 N TRP A 23 -10.249 1.798 -2.996 1.00 10.00 N ATOM 328 CA TRP A 23 -9.270 0.867 -3.532 1.00 10.00 C ATOM 329 C TRP A 23 -8.384 1.678 -4.499 1.00 10.00 C ATOM 330 O TRP A 23 -8.898 2.557 -5.196 1.00 10.00 O ATOM 331 CB TRP A 23 -10.062 -0.286 -4.191 1.00 10.00 C ATOM 332 CG TRP A 23 -10.844 -1.186 -3.270 1.00 10.00 C ATOM 333 CD1 TRP A 23 -12.098 -0.941 -2.837 1.00 10.00 C ATOM 334 CD2 TRP A 23 -10.484 -2.483 -2.679 1.00 10.00 C ATOM 335 NE1 TRP A 23 -12.514 -1.936 -1.980 1.00 10.00 N ATOM 336 CE2 TRP A 23 -11.563 -2.923 -1.852 1.00 10.00 C ATOM 337 CE3 TRP A 23 -9.373 -3.351 -2.764 1.00 10.00 C ATOM 338 CZ2 TRP A 23 -11.525 -4.134 -1.137 1.00 10.00 C ATOM 339 CZ3 TRP A 23 -9.316 -4.563 -2.051 1.00 10.00 C ATOM 340 CH2 TRP A 23 -10.389 -4.955 -1.234 1.00 10.00 C ATOM 0 H TRP A 23 -10.638 2.409 -3.714 1.00 10.00 H new ATOM 0 HA TRP A 23 -8.610 0.413 -2.793 1.00 10.00 H new ATOM 0 HB2 TRP A 23 -10.755 0.147 -4.912 1.00 10.00 H new ATOM 0 HB3 TRP A 23 -9.360 -0.902 -4.753 1.00 10.00 H new ATOM 0 HD1 TRP A 23 -12.692 -0.085 -3.122 1.00 10.00 H new ATOM 0 HE1 TRP A 23 -13.414 -1.941 -1.500 1.00 10.00 H new ATOM 0 HE3 TRP A 23 -8.541 -3.076 -3.396 1.00 10.00 H new ATOM 0 HZ2 TRP A 23 -12.361 -4.430 -0.520 1.00 10.00 H new ATOM 0 HZ3 TRP A 23 -8.444 -5.194 -2.132 1.00 10.00 H new ATOM 0 HH2 TRP A 23 -10.341 -5.883 -0.683 1.00 10.00 H new ATOM 351 N ILE A 24 -7.064 1.452 -4.529 1.00 10.00 N ATOM 352 CA ILE A 24 -6.082 2.289 -5.226 1.00 10.00 C ATOM 353 C ILE A 24 -4.831 1.480 -5.637 1.00 10.00 C ATOM 354 O ILE A 24 -4.536 0.422 -5.078 1.00 10.00 O ATOM 355 CB ILE A 24 -5.757 3.520 -4.335 1.00 10.00 C ATOM 356 CG1 ILE A 24 -4.928 4.580 -5.095 1.00 10.00 C ATOM 357 CG2 ILE A 24 -5.091 3.123 -3.002 1.00 10.00 C ATOM 358 CD1 ILE A 24 -4.889 5.949 -4.404 1.00 10.00 C ATOM 0 H ILE A 24 -6.638 0.656 -4.054 1.00 10.00 H new ATOM 0 HA ILE A 24 -6.501 2.651 -6.165 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.713 3.978 -4.082 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -3.908 4.214 -5.213 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -5.341 4.701 -6.097 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -4.885 4.019 -2.417 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -5.760 2.470 -2.441 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -4.157 2.599 -3.204 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -4.289 6.639 -4.997 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -5.903 6.338 -4.310 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -4.448 5.844 -3.413 1.00 10.00 H new ATOM 370 N PHE A 25 -4.098 1.972 -6.638 1.00 10.00 N ATOM 371 CA PHE A 25 -2.791 1.481 -7.075 1.00 10.00 C ATOM 372 C PHE A 25 -1.766 1.431 -5.930 1.00 10.00 C ATOM 373 O PHE A 25 -1.852 2.211 -4.977 1.00 10.00 O ATOM 374 CB PHE A 25 -2.308 2.398 -8.214 1.00 10.00 C ATOM 375 CG PHE A 25 -0.899 2.135 -8.718 1.00 10.00 C ATOM 376 CD1 PHE A 25 -0.617 0.958 -9.435 1.00 10.00 C ATOM 377 CD2 PHE A 25 0.137 3.056 -8.465 1.00 10.00 C ATOM 378 CE1 PHE A 25 0.680 0.707 -9.910 1.00 10.00 C ATOM 379 CE2 PHE A 25 1.436 2.806 -8.943 1.00 10.00 C ATOM 380 CZ PHE A 25 1.708 1.634 -9.670 1.00 10.00 C ATOM 0 H PHE A 25 -4.418 2.765 -7.194 1.00 10.00 H new ATOM 0 HA PHE A 25 -2.890 0.453 -7.423 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -2.998 2.300 -9.052 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.365 3.432 -7.873 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -1.404 0.242 -9.621 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -0.067 3.955 -7.903 1.00 10.00 H new ATOM 0 HE1 PHE A 25 0.888 -0.199 -10.460 1.00 10.00 H new ATOM 0 HE2 PHE A 25 2.227 3.516 -8.751 1.00 10.00 H new ATOM 0 HZ PHE A 25 2.704 1.447 -10.043 1.00 10.00 H new ATOM 390 N LYS A 26 -0.751 0.561 -6.064 1.00 10.00 N ATOM 391 CA LYS A 26 0.420 0.539 -5.187 1.00 10.00 C ATOM 392 C LYS A 26 1.685 0.359 -6.042 1.00 10.00 C ATOM 393 O LYS A 26 2.465 1.310 -6.109 1.00 10.00 O ATOM 394 CB LYS A 26 0.213 -0.503 -4.061 1.00 10.00 C ATOM 395 CG LYS A 26 1.142 -0.389 -2.840 1.00 10.00 C ATOM 396 CD LYS A 26 2.621 -0.597 -3.180 1.00 10.00 C ATOM 397 CE LYS A 26 3.494 -0.793 -1.937 1.00 10.00 C ATOM 398 NZ LYS A 26 4.933 -0.838 -2.297 1.00 10.00 N ATOM 0 H LYS A 26 -0.725 -0.152 -6.793 1.00 10.00 H new ATOM 0 HA LYS A 26 0.556 1.486 -4.664 1.00 10.00 H new ATOM 0 HB2 LYS A 26 -0.817 -0.429 -3.713 1.00 10.00 H new ATOM 0 HB3 LYS A 26 0.334 -1.498 -4.490 1.00 10.00 H new ATOM 0 HG2 LYS A 26 1.016 0.594 -2.387 1.00 10.00 H new ATOM 0 HG3 LYS A 26 0.841 -1.125 -2.094 1.00 10.00 H new ATOM 0 HD2 LYS A 26 2.721 -1.467 -3.829 1.00 10.00 H new ATOM 0 HD3 LYS A 26 2.984 0.264 -3.742 1.00 10.00 H new ATOM 0 HE2 LYS A 26 3.317 0.020 -1.233 1.00 10.00 H new ATOM 0 HE3 LYS A 26 3.213 -1.718 -1.433 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 5.502 -0.972 -1.437 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 5.103 -1.629 -2.951 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 5.204 0.055 -2.756 1.00 10.00 H new ATOM 412 N SER A 27 1.880 -0.773 -6.735 1.00 10.00 N ATOM 413 CA SER A 27 3.060 -1.017 -7.577 1.00 10.00 C ATOM 414 C SER A 27 2.736 -1.989 -8.719 1.00 10.00 C ATOM 415 O SER A 27 1.924 -2.897 -8.548 1.00 10.00 O ATOM 416 CB SER A 27 4.194 -1.634 -6.737 1.00 10.00 C ATOM 417 OG SER A 27 4.557 -0.841 -5.618 1.00 10.00 O ATOM 0 H SER A 27 1.219 -1.550 -6.727 1.00 10.00 H new ATOM 0 HA SER A 27 3.367 -0.056 -7.991 1.00 10.00 H new ATOM 0 HB2 SER A 27 3.885 -2.620 -6.390 1.00 10.00 H new ATOM 0 HB3 SER A 27 5.069 -1.779 -7.371 1.00 10.00 H new ATOM 0 HG SER A 27 5.278 -1.283 -5.124 1.00 10.00 H new ATOM 423 N LYS A 28 3.432 -1.875 -9.858 1.00 10.00 N ATOM 424 CA LYS A 28 3.393 -2.864 -10.940 1.00 10.00 C ATOM 425 C LYS A 28 4.764 -2.951 -11.606 1.00 10.00 C ATOM 426 O LYS A 28 5.516 -1.973 -11.578 1.00 10.00 O ATOM 427 CB LYS A 28 2.279 -2.539 -11.957 1.00 10.00 C ATOM 428 CG LYS A 28 2.476 -1.219 -12.730 1.00 10.00 C ATOM 429 CD LYS A 28 1.304 -0.959 -13.689 1.00 10.00 C ATOM 430 CE LYS A 28 1.378 0.422 -14.364 1.00 10.00 C ATOM 431 NZ LYS A 28 2.511 0.553 -15.318 1.00 10.00 N ATOM 0 H LYS A 28 4.045 -1.084 -10.055 1.00 10.00 H new ATOM 0 HA LYS A 28 3.154 -3.840 -10.518 1.00 10.00 H new ATOM 0 HB2 LYS A 28 2.211 -3.357 -12.674 1.00 10.00 H new ATOM 0 HB3 LYS A 28 1.326 -2.497 -11.430 1.00 10.00 H new ATOM 0 HG2 LYS A 28 2.564 -0.392 -12.026 1.00 10.00 H new ATOM 0 HG3 LYS A 28 3.408 -1.259 -13.293 1.00 10.00 H new ATOM 0 HD2 LYS A 28 1.291 -1.733 -14.457 1.00 10.00 H new ATOM 0 HD3 LYS A 28 0.366 -1.039 -13.139 1.00 10.00 H new ATOM 0 HE2 LYS A 28 0.444 0.610 -14.893 1.00 10.00 H new ATOM 0 HE3 LYS A 28 1.469 1.189 -13.595 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 2.504 1.505 -15.737 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 3.408 0.404 -14.814 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 2.415 -0.158 -16.071 1.00 10.00 H new ATOM 445 N TYR A 29 5.077 -4.090 -12.223 1.00 10.00 N ATOM 446 CA TYR A 29 6.266 -4.292 -13.044 1.00 10.00 C ATOM 447 C TYR A 29 5.982 -5.401 -14.061 1.00 10.00 C ATOM 448 O TYR A 29 5.101 -6.236 -13.843 1.00 10.00 O ATOM 449 CB TYR A 29 7.487 -4.637 -12.171 1.00 10.00 C ATOM 450 CG TYR A 29 7.447 -5.977 -11.450 1.00 10.00 C ATOM 451 CD1 TYR A 29 6.784 -6.102 -10.211 1.00 10.00 C ATOM 452 CD2 TYR A 29 8.120 -7.089 -11.994 1.00 10.00 C ATOM 453 CE1 TYR A 29 6.798 -7.327 -9.517 1.00 10.00 C ATOM 454 CE2 TYR A 29 8.138 -8.315 -11.308 1.00 10.00 C ATOM 455 CZ TYR A 29 7.480 -8.440 -10.064 1.00 10.00 C ATOM 456 OH TYR A 29 7.528 -9.628 -9.398 1.00 10.00 O ATOM 0 H TYR A 29 4.490 -4.922 -12.162 1.00 10.00 H new ATOM 0 HA TYR A 29 6.503 -3.369 -13.574 1.00 10.00 H new ATOM 0 HB2 TYR A 29 8.375 -4.615 -12.802 1.00 10.00 H new ATOM 0 HB3 TYR A 29 7.607 -3.851 -11.425 1.00 10.00 H new ATOM 0 HD1 TYR A 29 6.263 -5.254 -9.793 1.00 10.00 H new ATOM 0 HD2 TYR A 29 8.625 -6.998 -12.944 1.00 10.00 H new ATOM 0 HE1 TYR A 29 6.289 -7.417 -8.569 1.00 10.00 H new ATOM 0 HE2 TYR A 29 8.655 -9.163 -11.732 1.00 10.00 H new ATOM 0 HH TYR A 29 8.038 -10.278 -9.925 1.00 10.00 H new ATOM 466 N TYR A 30 6.718 -5.419 -15.173 1.00 10.00 N ATOM 467 CA TYR A 30 6.639 -6.505 -16.140 1.00 10.00 C ATOM 468 C TYR A 30 7.675 -7.551 -15.736 1.00 10.00 C ATOM 469 O TYR A 30 8.865 -7.244 -15.634 1.00 10.00 O ATOM 470 CB TYR A 30 6.860 -5.978 -17.561 1.00 10.00 C ATOM 471 CG TYR A 30 6.624 -7.029 -18.630 1.00 10.00 C ATOM 472 CD1 TYR A 30 5.316 -7.469 -18.905 1.00 10.00 C ATOM 473 CD2 TYR A 30 7.707 -7.569 -19.349 1.00 10.00 C ATOM 474 CE1 TYR A 30 5.084 -8.432 -19.901 1.00 10.00 C ATOM 475 CE2 TYR A 30 7.486 -8.533 -20.348 1.00 10.00 C ATOM 476 CZ TYR A 30 6.169 -8.966 -20.633 1.00 10.00 C ATOM 477 OH TYR A 30 5.934 -9.884 -21.612 1.00 10.00 O ATOM 0 H TYR A 30 7.380 -4.685 -15.424 1.00 10.00 H new ATOM 0 HA TYR A 30 5.649 -6.962 -16.141 1.00 10.00 H new ATOM 0 HB2 TYR A 30 6.193 -5.134 -17.737 1.00 10.00 H new ATOM 0 HB3 TYR A 30 7.880 -5.602 -17.648 1.00 10.00 H new ATOM 0 HD1 TYR A 30 4.485 -7.064 -18.347 1.00 10.00 H new ATOM 0 HD2 TYR A 30 8.713 -7.241 -19.132 1.00 10.00 H new ATOM 0 HE1 TYR A 30 4.077 -8.764 -20.107 1.00 10.00 H new ATOM 0 HE2 TYR A 30 8.320 -8.943 -20.898 1.00 10.00 H new ATOM 0 HH TYR A 30 6.784 -10.151 -22.021 1.00 10.00 H new ATOM 487 N ASP A 31 7.226 -8.774 -15.461 1.00 10.00 N ATOM 488 CA ASP A 31 8.080 -9.881 -15.057 1.00 10.00 C ATOM 489 C ASP A 31 8.563 -10.602 -16.311 1.00 10.00 C ATOM 490 O ASP A 31 8.029 -11.644 -16.699 1.00 10.00 O ATOM 491 CB ASP A 31 7.351 -10.826 -14.092 1.00 10.00 C ATOM 492 CG ASP A 31 8.254 -11.978 -13.612 1.00 10.00 C ATOM 493 OD1 ASP A 31 9.495 -11.899 -13.758 1.00 10.00 O ATOM 494 OD2 ASP A 31 7.721 -12.944 -13.022 1.00 10.00 O ATOM 0 H ASP A 31 6.239 -9.025 -15.515 1.00 10.00 H new ATOM 0 HA ASP A 31 8.943 -9.501 -14.511 1.00 10.00 H new ATOM 0 HB2 ASP A 31 6.998 -10.260 -13.230 1.00 10.00 H new ATOM 0 HB3 ASP A 31 6.471 -11.238 -14.585 1.00 10.00 H new ATOM 499 N SER A 32 9.542 -10.004 -16.991 1.00 10.00 N ATOM 500 CA SER A 32 10.097 -10.486 -18.252 1.00 10.00 C ATOM 501 C SER A 32 10.534 -11.958 -18.195 1.00 10.00 C ATOM 502 O SER A 32 10.476 -12.654 -19.211 1.00 10.00 O ATOM 503 CB SER A 32 11.285 -9.594 -18.640 1.00 10.00 C ATOM 504 OG SER A 32 10.987 -8.219 -18.435 1.00 10.00 O ATOM 0 H SER A 32 9.983 -9.143 -16.667 1.00 10.00 H new ATOM 0 HA SER A 32 9.310 -10.432 -19.004 1.00 10.00 H new ATOM 0 HB2 SER A 32 12.159 -9.871 -18.050 1.00 10.00 H new ATOM 0 HB3 SER A 32 11.541 -9.761 -19.686 1.00 10.00 H new ATOM 0 HG SER A 32 11.762 -7.675 -18.689 1.00 10.00 H new ATOM 510 N SER A 33 10.930 -12.452 -17.017 1.00 10.00 N ATOM 511 CA SER A 33 11.344 -13.834 -16.798 1.00 10.00 C ATOM 512 C SER A 33 10.198 -14.841 -16.987 1.00 10.00 C ATOM 513 O SER A 33 10.467 -16.029 -17.177 1.00 10.00 O ATOM 514 CB SER A 33 11.947 -13.954 -15.392 1.00 10.00 C ATOM 515 OG SER A 33 12.899 -12.921 -15.159 1.00 10.00 O ATOM 0 H SER A 33 10.971 -11.884 -16.171 1.00 10.00 H new ATOM 0 HA SER A 33 12.090 -14.085 -17.552 1.00 10.00 H new ATOM 0 HB2 SER A 33 11.154 -13.899 -14.646 1.00 10.00 H new ATOM 0 HB3 SER A 33 12.425 -14.927 -15.278 1.00 10.00 H new ATOM 0 HG SER A 33 13.270 -13.015 -14.257 1.00 10.00 H new ATOM 521 N LYS A 34 8.931 -14.398 -16.964 1.00 10.00 N ATOM 522 CA LYS A 34 7.753 -15.246 -17.185 1.00 10.00 C ATOM 523 C LYS A 34 6.843 -14.683 -18.284 1.00 10.00 C ATOM 524 O LYS A 34 6.044 -15.436 -18.840 1.00 10.00 O ATOM 525 CB LYS A 34 6.961 -15.419 -15.876 1.00 10.00 C ATOM 526 CG LYS A 34 7.702 -16.081 -14.695 1.00 10.00 C ATOM 527 CD LYS A 34 7.727 -17.619 -14.693 1.00 10.00 C ATOM 528 CE LYS A 34 8.615 -18.233 -15.783 1.00 10.00 C ATOM 529 NZ LYS A 34 8.761 -19.702 -15.627 1.00 10.00 N ATOM 0 H LYS A 34 8.694 -13.422 -16.788 1.00 10.00 H new ATOM 0 HA LYS A 34 8.110 -16.220 -17.518 1.00 10.00 H new ATOM 0 HB2 LYS A 34 6.619 -14.436 -15.554 1.00 10.00 H new ATOM 0 HB3 LYS A 34 6.072 -16.010 -16.093 1.00 10.00 H new ATOM 0 HG2 LYS A 34 8.731 -15.720 -14.689 1.00 10.00 H new ATOM 0 HG3 LYS A 34 7.241 -15.743 -13.767 1.00 10.00 H new ATOM 0 HD2 LYS A 34 8.074 -17.965 -13.719 1.00 10.00 H new ATOM 0 HD3 LYS A 34 6.709 -17.988 -14.818 1.00 10.00 H new ATOM 0 HE2 LYS A 34 8.189 -18.014 -16.762 1.00 10.00 H new ATOM 0 HE3 LYS A 34 9.600 -17.767 -15.752 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 9.369 -20.073 -16.385 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 9.192 -19.912 -14.704 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 7.825 -20.152 -15.683 1.00 10.00 H new ATOM 543 N GLY A 35 6.986 -13.405 -18.644 1.00 10.00 N ATOM 544 CA GLY A 35 6.329 -12.816 -19.802 1.00 10.00 C ATOM 545 C GLY A 35 4.917 -12.325 -19.482 1.00 10.00 C ATOM 546 O GLY A 35 4.018 -12.488 -20.310 1.00 10.00 O ATOM 0 H GLY A 35 7.570 -12.746 -18.129 1.00 10.00 H new ATOM 0 HA2 GLY A 35 6.926 -11.982 -20.170 1.00 10.00 H new ATOM 0 HA3 GLY A 35 6.282 -13.553 -20.604 1.00 10.00 H new ATOM 550 N TYR A 36 4.698 -11.759 -18.291 1.00 10.00 N ATOM 551 CA TYR A 36 3.432 -11.140 -17.910 1.00 10.00 C ATOM 552 C TYR A 36 3.686 -9.984 -16.940 1.00 10.00 C ATOM 553 O TYR A 36 4.770 -9.880 -16.361 1.00 10.00 O ATOM 554 CB TYR A 36 2.462 -12.188 -17.330 1.00 10.00 C ATOM 555 CG TYR A 36 3.005 -13.187 -16.317 1.00 10.00 C ATOM 556 CD1 TYR A 36 3.503 -12.753 -15.073 1.00 10.00 C ATOM 557 CD2 TYR A 36 2.942 -14.567 -16.596 1.00 10.00 C ATOM 558 CE1 TYR A 36 3.943 -13.687 -14.119 1.00 10.00 C ATOM 559 CE2 TYR A 36 3.356 -15.508 -15.636 1.00 10.00 C ATOM 560 CZ TYR A 36 3.859 -15.071 -14.389 1.00 10.00 C ATOM 561 OH TYR A 36 4.260 -15.968 -13.445 1.00 10.00 O ATOM 0 H TYR A 36 5.406 -11.719 -17.558 1.00 10.00 H new ATOM 0 HA TYR A 36 2.953 -10.727 -18.798 1.00 10.00 H new ATOM 0 HB2 TYR A 36 1.636 -11.654 -16.861 1.00 10.00 H new ATOM 0 HB3 TYR A 36 2.044 -12.753 -18.164 1.00 10.00 H new ATOM 0 HD1 TYR A 36 3.547 -11.697 -14.851 1.00 10.00 H new ATOM 0 HD2 TYR A 36 2.573 -14.904 -17.553 1.00 10.00 H new ATOM 0 HE1 TYR A 36 4.346 -13.346 -13.177 1.00 10.00 H new ATOM 0 HE2 TYR A 36 3.290 -16.564 -15.851 1.00 10.00 H new ATOM 0 HH TYR A 36 4.137 -16.879 -13.786 1.00 10.00 H new ATOM 571 N TRP A 37 2.698 -9.108 -16.758 1.00 10.00 N ATOM 572 CA TRP A 37 2.748 -8.093 -15.716 1.00 10.00 C ATOM 573 C TRP A 37 2.467 -8.739 -14.365 1.00 10.00 C ATOM 574 O TRP A 37 1.768 -9.750 -14.272 1.00 10.00 O ATOM 575 CB TRP A 37 1.738 -6.977 -16.001 1.00 10.00 C ATOM 576 CG TRP A 37 2.168 -5.996 -17.046 1.00 10.00 C ATOM 577 CD1 TRP A 37 1.942 -6.092 -18.375 1.00 10.00 C ATOM 578 CD2 TRP A 37 2.911 -4.753 -16.861 1.00 10.00 C ATOM 579 NE1 TRP A 37 2.496 -5.005 -19.022 1.00 10.00 N ATOM 580 CE2 TRP A 37 3.123 -4.153 -18.138 1.00 10.00 C ATOM 581 CE3 TRP A 37 3.433 -4.076 -15.738 1.00 10.00 C ATOM 582 CZ2 TRP A 37 3.836 -2.953 -18.291 1.00 10.00 C ATOM 583 CZ3 TRP A 37 4.163 -2.880 -15.881 1.00 10.00 C ATOM 584 CH2 TRP A 37 4.367 -2.320 -17.154 1.00 10.00 C ATOM 0 H TRP A 37 1.850 -9.085 -17.325 1.00 10.00 H new ATOM 0 HA TRP A 37 3.743 -7.648 -15.699 1.00 10.00 H new ATOM 0 HB2 TRP A 37 0.796 -7.429 -16.312 1.00 10.00 H new ATOM 0 HB3 TRP A 37 1.542 -6.438 -15.074 1.00 10.00 H new ATOM 0 HD1 TRP A 37 1.409 -6.897 -18.858 1.00 10.00 H new ATOM 0 HE1 TRP A 37 2.447 -4.852 -20.029 1.00 10.00 H new ATOM 0 HE3 TRP A 37 3.270 -4.483 -14.751 1.00 10.00 H new ATOM 0 HZ2 TRP A 37 3.975 -2.521 -19.271 1.00 10.00 H new ATOM 0 HZ3 TRP A 37 4.568 -2.391 -15.008 1.00 10.00 H new ATOM 0 HH2 TRP A 37 4.931 -1.405 -17.258 1.00 10.00 H new ATOM 595 N VAL A 38 2.980 -8.107 -13.315 1.00 10.00 N ATOM 596 CA VAL A 38 2.803 -8.470 -11.921 1.00 10.00 C ATOM 597 C VAL A 38 2.577 -7.154 -11.173 1.00 10.00 C ATOM 598 O VAL A 38 3.053 -6.100 -11.612 1.00 10.00 O ATOM 599 CB VAL A 38 4.058 -9.226 -11.423 1.00 10.00 C ATOM 600 CG1 VAL A 38 3.965 -9.603 -9.936 1.00 10.00 C ATOM 601 CG2 VAL A 38 4.306 -10.504 -12.242 1.00 10.00 C ATOM 0 H VAL A 38 3.565 -7.279 -13.425 1.00 10.00 H new ATOM 0 HA VAL A 38 1.958 -9.139 -11.760 1.00 10.00 H new ATOM 0 HB VAL A 38 4.892 -8.536 -11.556 1.00 10.00 H new ATOM 0 HG11 VAL A 38 4.870 -10.131 -9.637 1.00 10.00 H new ATOM 0 HG12 VAL A 38 3.858 -8.698 -9.337 1.00 10.00 H new ATOM 0 HG13 VAL A 38 3.100 -10.247 -9.777 1.00 10.00 H new ATOM 0 HG21 VAL A 38 5.195 -11.010 -11.866 1.00 10.00 H new ATOM 0 HG22 VAL A 38 3.445 -11.167 -12.152 1.00 10.00 H new ATOM 0 HG23 VAL A 38 4.454 -10.242 -13.290 1.00 10.00 H new ATOM 611 N GLY A 39 1.875 -7.187 -10.040 1.00 10.00 N ATOM 612 CA GLY A 39 1.749 -6.008 -9.204 1.00 10.00 C ATOM 613 C GLY A 39 1.311 -6.332 -7.787 1.00 10.00 C ATOM 614 O GLY A 39 0.756 -7.400 -7.510 1.00 10.00 O ATOM 0 H GLY A 39 1.391 -8.013 -9.688 1.00 10.00 H new ATOM 0 HA2 GLY A 39 2.706 -5.487 -9.173 1.00 10.00 H new ATOM 0 HA3 GLY A 39 1.029 -5.325 -9.654 1.00 10.00 H new ATOM 618 N ILE A 40 1.562 -5.360 -6.913 1.00 10.00 N ATOM 619 CA ILE A 40 1.024 -5.270 -5.567 1.00 10.00 C ATOM 620 C ILE A 40 -0.048 -4.206 -5.732 1.00 10.00 C ATOM 621 O ILE A 40 0.249 -3.118 -6.232 1.00 10.00 O ATOM 622 CB ILE A 40 2.106 -4.822 -4.552 1.00 10.00 C ATOM 623 CG1 ILE A 40 3.349 -5.743 -4.581 1.00 10.00 C ATOM 624 CG2 ILE A 40 1.498 -4.751 -3.136 1.00 10.00 C ATOM 625 CD1 ILE A 40 4.498 -5.257 -3.688 1.00 10.00 C ATOM 0 H ILE A 40 2.176 -4.578 -7.140 1.00 10.00 H new ATOM 0 HA ILE A 40 0.653 -6.218 -5.178 1.00 10.00 H new ATOM 0 HB ILE A 40 2.448 -3.829 -4.841 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.055 -6.745 -4.267 1.00 10.00 H new ATOM 0 HG13 ILE A 40 3.707 -5.823 -5.607 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.263 -4.436 -2.427 1.00 10.00 H new ATOM 0 HG22 ILE A 40 0.678 -4.033 -3.128 1.00 10.00 H new ATOM 0 HG23 ILE A 40 1.123 -5.734 -2.851 1.00 10.00 H new ATOM 0 HD11 ILE A 40 5.334 -5.953 -3.760 1.00 10.00 H new ATOM 0 HD12 ILE A 40 4.820 -4.268 -4.015 1.00 10.00 H new ATOM 0 HD13 ILE A 40 4.158 -5.204 -2.654 1.00 10.00 H new ATOM 637 N TYR A 41 -1.290 -4.504 -5.376 1.00 10.00 N ATOM 638 CA TYR A 41 -2.398 -3.682 -5.820 1.00 10.00 C ATOM 639 C TYR A 41 -3.449 -3.667 -4.733 1.00 10.00 C ATOM 640 O TYR A 41 -3.854 -4.725 -4.265 1.00 10.00 O ATOM 641 CB TYR A 41 -2.950 -4.269 -7.134 1.00 10.00 C ATOM 642 CG TYR A 41 -2.950 -3.288 -8.286 1.00 10.00 C ATOM 643 CD1 TYR A 41 -3.682 -2.094 -8.177 1.00 10.00 C ATOM 644 CD2 TYR A 41 -2.246 -3.574 -9.473 1.00 10.00 C ATOM 645 CE1 TYR A 41 -3.751 -1.206 -9.263 1.00 10.00 C ATOM 646 CE2 TYR A 41 -2.327 -2.700 -10.571 1.00 10.00 C ATOM 647 CZ TYR A 41 -3.088 -1.517 -10.466 1.00 10.00 C ATOM 648 OH TYR A 41 -3.136 -0.632 -11.496 1.00 10.00 O ATOM 0 H TYR A 41 -1.550 -5.297 -4.790 1.00 10.00 H new ATOM 0 HA TYR A 41 -2.082 -2.656 -6.009 1.00 10.00 H new ATOM 0 HB2 TYR A 41 -2.356 -5.140 -7.410 1.00 10.00 H new ATOM 0 HB3 TYR A 41 -3.969 -4.618 -6.966 1.00 10.00 H new ATOM 0 HD1 TYR A 41 -4.193 -1.858 -7.255 1.00 10.00 H new ATOM 0 HD2 TYR A 41 -1.643 -4.467 -9.539 1.00 10.00 H new ATOM 0 HE1 TYR A 41 -4.311 -0.287 -9.176 1.00 10.00 H new ATOM 0 HE2 TYR A 41 -1.809 -2.933 -11.490 1.00 10.00 H new ATOM 0 HH TYR A 41 -2.323 -0.085 -11.495 1.00 10.00 H new ATOM 658 N GLU A 42 -3.951 -2.494 -4.364 1.00 10.00 N ATOM 659 CA GLU A 42 -5.114 -2.383 -3.498 1.00 10.00 C ATOM 660 C GLU A 42 -6.318 -2.012 -4.367 1.00 10.00 C ATOM 661 O GLU A 42 -7.145 -1.228 -3.927 1.00 10.00 O ATOM 662 CB GLU A 42 -4.824 -1.422 -2.324 1.00 10.00 C ATOM 663 CG GLU A 42 -5.800 -1.638 -1.153 1.00 10.00 C ATOM 664 CD GLU A 42 -5.303 -1.026 0.166 1.00 10.00 C ATOM 665 OE1 GLU A 42 -5.022 0.193 0.226 1.00 10.00 O ATOM 666 OE2 GLU A 42 -5.232 -1.770 1.171 1.00 10.00 O ATOM 0 H GLU A 42 -3.563 -1.597 -4.657 1.00 10.00 H new ATOM 0 HA GLU A 42 -5.355 -3.329 -3.014 1.00 10.00 H new ATOM 0 HB2 GLU A 42 -3.801 -1.571 -1.977 1.00 10.00 H new ATOM 0 HB3 GLU A 42 -4.896 -0.391 -2.672 1.00 10.00 H new ATOM 0 HG2 GLU A 42 -6.766 -1.202 -1.408 1.00 10.00 H new ATOM 0 HG3 GLU A 42 -5.960 -2.707 -1.013 1.00 10.00 H new ATOM 673 N VAL A 43 -6.428 -2.540 -5.597 1.00 10.00 N ATOM 674 CA VAL A 43 -7.665 -2.478 -6.386 1.00 10.00 C ATOM 675 C VAL A 43 -7.761 -3.631 -7.387 1.00 10.00 C ATOM 676 O VAL A 43 -8.803 -4.289 -7.439 1.00 10.00 O ATOM 677 CB VAL A 43 -7.870 -1.088 -7.054 1.00 10.00 C ATOM 678 CG1 VAL A 43 -6.720 -0.574 -7.919 1.00 10.00 C ATOM 679 CG2 VAL A 43 -9.153 -1.040 -7.888 1.00 10.00 C ATOM 0 H VAL A 43 -5.663 -3.020 -6.070 1.00 10.00 H new ATOM 0 HA VAL A 43 -8.493 -2.603 -5.688 1.00 10.00 H new ATOM 0 HB VAL A 43 -7.929 -0.423 -6.192 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -6.981 0.402 -8.329 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -5.820 -0.483 -7.311 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -6.538 -1.273 -8.735 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -9.258 -0.052 -8.337 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -9.104 -1.793 -8.675 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -10.011 -1.241 -7.247 1.00 10.00 H new ATOM 689 N TRP A 44 -6.715 -3.882 -8.185 1.00 10.00 N ATOM 690 CA TRP A 44 -6.807 -4.831 -9.289 1.00 10.00 C ATOM 691 C TRP A 44 -7.021 -6.252 -8.750 1.00 10.00 C ATOM 692 O TRP A 44 -6.493 -6.619 -7.698 1.00 10.00 O ATOM 693 CB TRP A 44 -5.562 -4.718 -10.181 1.00 10.00 C ATOM 694 CG TRP A 44 -5.587 -5.435 -11.501 1.00 10.00 C ATOM 695 CD1 TRP A 44 -6.652 -5.581 -12.325 1.00 10.00 C ATOM 696 CD2 TRP A 44 -4.464 -6.037 -12.213 1.00 10.00 C ATOM 697 NE1 TRP A 44 -6.283 -6.287 -13.451 1.00 10.00 N ATOM 698 CE2 TRP A 44 -4.934 -6.573 -13.449 1.00 10.00 C ATOM 699 CE3 TRP A 44 -3.086 -6.172 -11.942 1.00 10.00 C ATOM 700 CZ2 TRP A 44 -4.080 -7.217 -14.356 1.00 10.00 C ATOM 701 CZ3 TRP A 44 -2.216 -6.805 -12.848 1.00 10.00 C ATOM 702 CH2 TRP A 44 -2.710 -7.327 -14.054 1.00 10.00 C ATOM 0 H TRP A 44 -5.801 -3.440 -8.083 1.00 10.00 H new ATOM 0 HA TRP A 44 -7.671 -4.594 -9.909 1.00 10.00 H new ATOM 0 HB2 TRP A 44 -5.383 -3.661 -10.376 1.00 10.00 H new ATOM 0 HB3 TRP A 44 -4.707 -5.087 -9.614 1.00 10.00 H new ATOM 0 HD1 TRP A 44 -7.644 -5.201 -12.129 1.00 10.00 H new ATOM 0 HE1 TRP A 44 -6.927 -6.563 -14.192 1.00 10.00 H new ATOM 0 HE3 TRP A 44 -2.690 -5.780 -11.017 1.00 10.00 H new ATOM 0 HZ2 TRP A 44 -4.470 -7.624 -15.277 1.00 10.00 H new ATOM 0 HZ3 TRP A 44 -1.165 -6.890 -12.615 1.00 10.00 H new ATOM 0 HH2 TRP A 44 -2.040 -7.812 -14.748 1.00 10.00 H new