USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 838 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 40 CYS SG : rot 150:sc= 0.0812 USER MOD Set 1.2: A 65 THR OG1 : rot 170:sc= 0.921 USER MOD Set 2.1: A 25 THR OG1 : rot -97:sc= 0.708 USER MOD Set 2.2: A 37 ASN : amide:sc= 0.812 K(o=1.5,f=-1.5) USER MOD Single : A 1 ALA N :NH3+ -144:sc= -0.0128 (180deg=-0.577) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 90:sc= 1.22 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 17 GLN : amide:sc= -1.64 K(o=-1.6,f=-3.2!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.348 F(o=-1.1,f=-0.35) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= -0.0725 (180deg=-0.556) USER MOD Single : A 41 SER OG : rot -128:sc= 0.925 USER MOD Single : A 43 TYR OH : rot -50:sc= 0.92 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.623 USER MOD Single : A 49 THR OG1 : rot -150:sc= -0.612 USER MOD Single : A 52 THR OG1 : rot -25:sc= 0.224! USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 70 SER OG : rot 150:sc= -1.92! USER MOD Single : A 74 THR OG1 : rot 76:sc= 0.52 USER MOD Single : A 75 ASN : amide:sc= -0.92 X(o=-0.92,f=-0.89) USER MOD Single : A 76 MET CE :methyl -140:sc= -2.14! (180deg=-2.93!) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.123 USER MOD Single : A 98 ASN : amide:sc= -2.17 K(o=-2.2,f=-3!) USER MOD Single : A 100 SER OG : rot 180:sc= 0.25 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 138:sc= -1.13 (180deg=-3.56!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 CYS SG : rot 180:sc= -2.55! USER MOD Single : A 106 SER OG : rot -80:sc= 0.0665 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 12.856 10.302 -5.737 1.00 0.00 N ATOM 2 CA ALA A 1 13.571 9.583 -6.784 1.00 0.00 C ATOM 3 C ALA A 1 15.052 9.453 -6.447 1.00 0.00 C ATOM 4 O ALA A 1 15.903 10.153 -6.998 1.00 0.00 O ATOM 5 CB ALA A 1 13.391 10.283 -8.122 1.00 0.00 C ATOM 0 H1 ALA A 1 11.905 9.897 -5.625 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.376 10.217 -4.840 1.00 0.00 H new ATOM 0 H3 ALA A 1 12.776 11.306 -5.997 1.00 0.00 H new ATOM 0 HA ALA A 1 13.152 8.579 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 1 13.930 9.735 -8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 1 12.331 10.318 -8.375 1.00 0.00 H new ATOM 0 HB3 ALA A 1 13.782 11.298 -8.057 1.00 0.00 H new ATOM 11 N PRO A 2 15.371 8.538 -5.519 1.00 0.00 N ATOM 12 CA PRO A 2 16.751 8.296 -5.088 1.00 0.00 C ATOM 13 C PRO A 2 17.589 7.630 -6.174 1.00 0.00 C ATOM 14 O PRO A 2 18.792 7.875 -6.281 1.00 0.00 O ATOM 15 CB PRO A 2 16.589 7.359 -3.889 1.00 0.00 C ATOM 16 CG PRO A 2 15.288 6.671 -4.119 1.00 0.00 C ATOM 17 CD PRO A 2 14.409 7.670 -4.821 1.00 0.00 C ATOM 0 HA PRO A 2 17.273 9.224 -4.854 1.00 0.00 H new ATOM 0 HB2 PRO A 2 17.410 6.644 -3.831 1.00 0.00 H new ATOM 0 HB3 PRO A 2 16.583 7.914 -2.951 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.422 5.775 -4.725 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.842 6.354 -3.176 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.726 7.185 -5.518 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.798 8.233 -4.116 1.00 0.00 H new ATOM 25 N ILE A 3 16.948 6.789 -6.978 1.00 0.00 N ATOM 26 CA ILE A 3 17.635 6.090 -8.057 1.00 0.00 C ATOM 27 C ILE A 3 18.685 5.130 -7.508 1.00 0.00 C ATOM 28 O ILE A 3 19.226 5.338 -6.422 1.00 0.00 O ATOM 29 CB ILE A 3 18.314 7.077 -9.025 1.00 0.00 C ATOM 30 CG1 ILE A 3 17.325 8.160 -9.459 1.00 0.00 C ATOM 31 CG2 ILE A 3 18.863 6.337 -10.236 1.00 0.00 C ATOM 32 CD1 ILE A 3 17.945 9.231 -10.329 1.00 0.00 C ATOM 0 H ILE A 3 15.954 6.575 -6.903 1.00 0.00 H new ATOM 0 HA ILE A 3 16.877 5.525 -8.600 1.00 0.00 H new ATOM 0 HB ILE A 3 19.146 7.557 -8.509 1.00 0.00 H new ATOM 0 HG12 ILE A 3 16.503 7.693 -10.002 1.00 0.00 H new ATOM 0 HG13 ILE A 3 16.897 8.627 -8.572 1.00 0.00 H new ATOM 0 HG21 ILE A 3 19.340 7.048 -10.911 1.00 0.00 H new ATOM 0 HG22 ILE A 3 19.595 5.599 -9.910 1.00 0.00 H new ATOM 0 HG23 ILE A 3 18.047 5.834 -10.756 1.00 0.00 H new ATOM 0 HD11 ILE A 3 17.186 9.965 -10.599 1.00 0.00 H new ATOM 0 HD12 ILE A 3 18.749 9.724 -9.782 1.00 0.00 H new ATOM 0 HD13 ILE A 3 18.348 8.776 -11.234 1.00 0.00 H new ATOM 44 N LYS A 4 18.972 4.078 -8.268 1.00 0.00 N ATOM 45 CA LYS A 4 19.960 3.086 -7.861 1.00 0.00 C ATOM 46 C LYS A 4 21.314 3.740 -7.606 1.00 0.00 C ATOM 47 O LYS A 4 21.788 4.542 -8.409 1.00 0.00 O ATOM 48 CB LYS A 4 20.098 2.004 -8.934 1.00 0.00 C ATOM 49 CG LYS A 4 21.263 1.058 -8.698 1.00 0.00 C ATOM 50 CD LYS A 4 20.800 -0.387 -8.616 1.00 0.00 C ATOM 51 CE LYS A 4 21.905 -1.350 -9.021 1.00 0.00 C ATOM 52 NZ LYS A 4 22.969 -1.442 -7.983 1.00 0.00 N ATOM 0 H LYS A 4 18.534 3.891 -9.170 1.00 0.00 H new ATOM 0 HA LYS A 4 19.617 2.627 -6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 4 19.175 1.426 -8.976 1.00 0.00 H new ATOM 0 HB3 LYS A 4 20.220 2.482 -9.906 1.00 0.00 H new ATOM 0 HG2 LYS A 4 21.988 1.164 -9.505 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.773 1.331 -7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 4 20.477 -0.609 -7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 4 19.935 -0.530 -9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 4 21.480 -2.339 -9.194 1.00 0.00 H new ATOM 0 HE3 LYS A 4 22.344 -1.023 -9.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 23.703 -2.108 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 23.393 -0.504 -7.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 22.555 -1.779 -7.090 1.00 0.00 H new ATOM 66 N GLY A 5 21.933 3.390 -6.482 1.00 0.00 N ATOM 67 CA GLY A 5 23.227 3.952 -6.142 1.00 0.00 C ATOM 68 C GLY A 5 23.277 5.454 -6.338 1.00 0.00 C ATOM 69 O GLY A 5 24.284 5.995 -6.793 1.00 0.00 O ATOM 0 H GLY A 5 21.561 2.728 -5.801 1.00 0.00 H new ATOM 0 HA2 GLY A 5 23.460 3.716 -5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 5 23.996 3.483 -6.756 1.00 0.00 H new ATOM 73 N VAL A 6 22.185 6.130 -5.994 1.00 0.00 N ATOM 74 CA VAL A 6 22.108 7.579 -6.134 1.00 0.00 C ATOM 75 C VAL A 6 22.663 8.031 -7.481 1.00 0.00 C ATOM 76 O VAL A 6 23.293 9.084 -7.584 1.00 0.00 O ATOM 77 CB VAL A 6 22.877 8.295 -5.008 1.00 0.00 C ATOM 78 CG1 VAL A 6 22.533 9.776 -4.983 1.00 0.00 C ATOM 79 CG2 VAL A 6 22.578 7.647 -3.664 1.00 0.00 C ATOM 0 H VAL A 6 21.342 5.697 -5.617 1.00 0.00 H new ATOM 0 HA VAL A 6 21.053 7.847 -6.070 1.00 0.00 H new ATOM 0 HB VAL A 6 23.945 8.199 -5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 6 23.086 10.265 -4.181 1.00 0.00 H new ATOM 0 HG12 VAL A 6 22.803 10.228 -5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 6 21.463 9.898 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 6 23.129 8.165 -2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 6 21.509 7.711 -3.459 1.00 0.00 H new ATOM 0 HG23 VAL A 6 22.881 6.600 -3.689 1.00 0.00 H new ATOM 89 N THR A 7 22.423 7.228 -8.513 1.00 0.00 N ATOM 90 CA THR A 7 22.899 7.545 -9.853 1.00 0.00 C ATOM 91 C THR A 7 21.936 8.482 -10.572 1.00 0.00 C ATOM 92 O THR A 7 20.754 8.552 -10.234 1.00 0.00 O ATOM 93 CB THR A 7 23.084 6.270 -10.699 1.00 0.00 C ATOM 94 OG1 THR A 7 23.752 5.265 -9.929 1.00 0.00 O ATOM 95 CG2 THR A 7 23.885 6.568 -11.958 1.00 0.00 C ATOM 0 H THR A 7 21.902 6.354 -8.446 1.00 0.00 H new ATOM 0 HA THR A 7 23.863 8.039 -9.737 1.00 0.00 H new ATOM 0 HB THR A 7 22.099 5.908 -10.992 1.00 0.00 H new ATOM 0 HG1 THR A 7 23.088 4.719 -9.458 1.00 0.00 H new ATOM 0 HG21 THR A 7 24.003 5.653 -12.539 1.00 0.00 H new ATOM 0 HG22 THR A 7 23.360 7.313 -12.556 1.00 0.00 H new ATOM 0 HG23 THR A 7 24.867 6.952 -11.682 1.00 0.00 H new ATOM 103 N PHE A 8 22.448 9.201 -11.566 1.00 0.00 N ATOM 104 CA PHE A 8 21.632 10.135 -12.332 1.00 0.00 C ATOM 105 C PHE A 8 22.263 10.420 -13.692 1.00 0.00 C ATOM 106 O PHE A 8 23.453 10.718 -13.786 1.00 0.00 O ATOM 107 CB PHE A 8 21.451 11.442 -11.558 1.00 0.00 C ATOM 108 CG PHE A 8 22.730 12.206 -11.365 1.00 0.00 C ATOM 109 CD1 PHE A 8 23.601 11.877 -10.339 1.00 0.00 C ATOM 110 CD2 PHE A 8 23.061 13.253 -12.210 1.00 0.00 C ATOM 111 CE1 PHE A 8 24.778 12.579 -10.159 1.00 0.00 C ATOM 112 CE2 PHE A 8 24.237 13.959 -12.035 1.00 0.00 C ATOM 113 CZ PHE A 8 25.097 13.620 -11.008 1.00 0.00 C ATOM 0 H PHE A 8 23.424 9.154 -11.859 1.00 0.00 H new ATOM 0 HA PHE A 8 20.656 9.678 -12.492 1.00 0.00 H new ATOM 0 HB2 PHE A 8 20.737 12.073 -12.087 1.00 0.00 H new ATOM 0 HB3 PHE A 8 21.019 11.220 -10.582 1.00 0.00 H new ATOM 0 HD1 PHE A 8 23.358 11.063 -9.672 1.00 0.00 H new ATOM 0 HD2 PHE A 8 22.393 13.521 -13.015 1.00 0.00 H new ATOM 0 HE1 PHE A 8 25.448 12.313 -9.355 1.00 0.00 H new ATOM 0 HE2 PHE A 8 24.483 14.774 -12.700 1.00 0.00 H new ATOM 0 HZ PHE A 8 26.017 14.168 -10.870 1.00 0.00 H new ATOM 123 N GLY A 9 21.456 10.324 -14.745 1.00 0.00 N ATOM 124 CA GLY A 9 21.953 10.573 -16.085 1.00 0.00 C ATOM 125 C GLY A 9 22.583 9.342 -16.708 1.00 0.00 C ATOM 126 O GLY A 9 23.762 9.352 -17.059 1.00 0.00 O ATOM 0 H GLY A 9 20.467 10.078 -14.693 1.00 0.00 H new ATOM 0 HA2 GLY A 9 21.133 10.916 -16.715 1.00 0.00 H new ATOM 0 HA3 GLY A 9 22.688 11.377 -16.053 1.00 0.00 H new ATOM 130 N GLU A 10 21.795 8.280 -16.843 1.00 0.00 N ATOM 131 CA GLU A 10 22.285 7.036 -17.425 1.00 0.00 C ATOM 132 C GLU A 10 21.659 6.793 -18.796 1.00 0.00 C ATOM 133 O GLU A 10 22.364 6.595 -19.785 1.00 0.00 O ATOM 134 CB GLU A 10 21.980 5.858 -16.497 1.00 0.00 C ATOM 135 CG GLU A 10 23.100 5.548 -15.519 1.00 0.00 C ATOM 136 CD GLU A 10 24.279 4.861 -16.181 1.00 0.00 C ATOM 137 OE1 GLU A 10 24.072 3.805 -16.815 1.00 0.00 O ATOM 138 OE2 GLU A 10 25.409 5.381 -16.066 1.00 0.00 O ATOM 0 H GLU A 10 20.816 8.256 -16.558 1.00 0.00 H new ATOM 0 HA GLU A 10 23.365 7.123 -17.548 1.00 0.00 H new ATOM 0 HB2 GLU A 10 21.070 6.073 -15.937 1.00 0.00 H new ATOM 0 HB3 GLU A 10 21.781 4.973 -17.101 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.438 6.474 -15.054 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.715 4.913 -14.721 1.00 0.00 H new ATOM 145 N ASP A 11 20.332 6.810 -18.845 1.00 0.00 N ATOM 146 CA ASP A 11 19.610 6.593 -20.093 1.00 0.00 C ATOM 147 C ASP A 11 18.156 7.035 -19.964 1.00 0.00 C ATOM 148 O ASP A 11 17.720 7.975 -20.628 1.00 0.00 O ATOM 149 CB ASP A 11 19.674 5.118 -20.494 1.00 0.00 C ATOM 150 CG ASP A 11 19.707 4.927 -21.998 1.00 0.00 C ATOM 151 OD1 ASP A 11 18.914 5.593 -22.697 1.00 0.00 O ATOM 152 OD2 ASP A 11 20.524 4.113 -22.475 1.00 0.00 O ATOM 0 H ASP A 11 19.734 6.972 -18.035 1.00 0.00 H new ATOM 0 HA ASP A 11 20.086 7.194 -20.868 1.00 0.00 H new ATOM 0 HB2 ASP A 11 20.561 4.663 -20.053 1.00 0.00 H new ATOM 0 HB3 ASP A 11 18.810 4.595 -20.083 1.00 0.00 H new ATOM 157 N THR A 12 17.408 6.349 -19.105 1.00 0.00 N ATOM 158 CA THR A 12 16.002 6.669 -18.890 1.00 0.00 C ATOM 159 C THR A 12 15.477 6.011 -17.620 1.00 0.00 C ATOM 160 O THR A 12 16.151 5.176 -17.016 1.00 0.00 O ATOM 161 CB THR A 12 15.136 6.221 -20.083 1.00 0.00 C ATOM 162 OG1 THR A 12 13.788 6.671 -19.905 1.00 0.00 O ATOM 163 CG2 THR A 12 15.155 4.707 -20.227 1.00 0.00 C ATOM 0 H THR A 12 17.753 5.568 -18.547 1.00 0.00 H new ATOM 0 HA THR A 12 15.936 7.752 -18.789 1.00 0.00 H new ATOM 0 HB THR A 12 15.550 6.662 -20.990 1.00 0.00 H new ATOM 0 HG1 THR A 12 13.244 6.384 -20.668 1.00 0.00 H new ATOM 0 HG21 THR A 12 14.537 4.414 -21.076 1.00 0.00 H new ATOM 0 HG22 THR A 12 16.179 4.370 -20.390 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.763 4.250 -19.318 1.00 0.00 H new ATOM 171 N VAL A 13 14.268 6.392 -17.218 1.00 0.00 N ATOM 172 CA VAL A 13 13.651 5.838 -16.019 1.00 0.00 C ATOM 173 C VAL A 13 12.912 4.541 -16.330 1.00 0.00 C ATOM 174 O VAL A 13 12.619 4.245 -17.489 1.00 0.00 O ATOM 175 CB VAL A 13 12.667 6.837 -15.381 1.00 0.00 C ATOM 176 CG1 VAL A 13 12.508 6.556 -13.895 1.00 0.00 C ATOM 177 CG2 VAL A 13 13.132 8.266 -15.616 1.00 0.00 C ATOM 0 H VAL A 13 13.697 7.082 -17.706 1.00 0.00 H new ATOM 0 HA VAL A 13 14.457 5.633 -15.314 1.00 0.00 H new ATOM 0 HB VAL A 13 11.693 6.714 -15.855 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.809 7.272 -13.462 1.00 0.00 H new ATOM 0 HG12 VAL A 13 12.125 5.545 -13.755 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.475 6.649 -13.402 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.425 8.958 -15.159 1.00 0.00 H new ATOM 0 HG22 VAL A 13 14.117 8.406 -15.171 1.00 0.00 H new ATOM 0 HG23 VAL A 13 13.187 8.459 -16.687 1.00 0.00 H new ATOM 187 N TRP A 14 12.614 3.773 -15.290 1.00 0.00 N ATOM 188 CA TRP A 14 11.908 2.507 -15.452 1.00 0.00 C ATOM 189 C TRP A 14 12.718 1.537 -16.306 1.00 0.00 C ATOM 190 O TRP A 14 12.183 0.560 -16.828 1.00 0.00 O ATOM 191 CB TRP A 14 10.537 2.742 -16.087 1.00 0.00 C ATOM 192 CG TRP A 14 9.557 3.397 -15.161 1.00 0.00 C ATOM 193 CD1 TRP A 14 9.609 4.676 -14.685 1.00 0.00 C ATOM 194 CD2 TRP A 14 8.383 2.803 -14.597 1.00 0.00 C ATOM 195 NE1 TRP A 14 8.536 4.913 -13.859 1.00 0.00 N ATOM 196 CE2 TRP A 14 7.769 3.781 -13.789 1.00 0.00 C ATOM 197 CE3 TRP A 14 7.788 1.543 -14.697 1.00 0.00 C ATOM 198 CZ2 TRP A 14 6.592 3.534 -13.087 1.00 0.00 C ATOM 199 CZ3 TRP A 14 6.620 1.299 -13.999 1.00 0.00 C ATOM 200 CH2 TRP A 14 6.032 2.291 -13.204 1.00 0.00 C ATOM 0 H TRP A 14 12.850 4.004 -14.325 1.00 0.00 H new ATOM 0 HA TRP A 14 11.773 2.066 -14.464 1.00 0.00 H new ATOM 0 HB2 TRP A 14 10.658 3.363 -16.975 1.00 0.00 H new ATOM 0 HB3 TRP A 14 10.130 1.787 -16.419 1.00 0.00 H new ATOM 0 HD1 TRP A 14 10.379 5.395 -14.922 1.00 0.00 H new ATOM 0 HE1 TRP A 14 8.343 5.790 -13.376 1.00 0.00 H new ATOM 0 HE3 TRP A 14 8.233 0.773 -15.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 6.137 4.296 -12.472 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 6.153 0.328 -14.068 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.118 2.070 -12.673 1.00 0.00 H new ATOM 211 N GLU A 15 14.011 1.815 -16.444 1.00 0.00 N ATOM 212 CA GLU A 15 14.893 0.966 -17.236 1.00 0.00 C ATOM 213 C GLU A 15 16.229 0.759 -16.528 1.00 0.00 C ATOM 214 O GLU A 15 16.794 -0.334 -16.551 1.00 0.00 O ATOM 215 CB GLU A 15 15.126 1.583 -18.617 1.00 0.00 C ATOM 216 CG GLU A 15 14.105 1.152 -19.656 1.00 0.00 C ATOM 217 CD GLU A 15 14.748 0.581 -20.905 1.00 0.00 C ATOM 218 OE1 GLU A 15 15.206 -0.580 -20.859 1.00 0.00 O ATOM 219 OE2 GLU A 15 14.794 1.296 -21.928 1.00 0.00 O ATOM 0 H GLU A 15 14.470 2.620 -16.018 1.00 0.00 H new ATOM 0 HA GLU A 15 14.410 -0.004 -17.356 1.00 0.00 H new ATOM 0 HB2 GLU A 15 15.106 2.669 -18.529 1.00 0.00 H new ATOM 0 HB3 GLU A 15 16.123 1.310 -18.964 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.442 0.405 -19.220 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.487 2.007 -19.929 1.00 0.00 H new ATOM 226 N VAL A 16 16.729 1.818 -15.898 1.00 0.00 N ATOM 227 CA VAL A 16 17.997 1.753 -15.182 1.00 0.00 C ATOM 228 C VAL A 16 17.835 2.203 -13.734 1.00 0.00 C ATOM 229 O VAL A 16 18.529 1.717 -12.842 1.00 0.00 O ATOM 230 CB VAL A 16 19.070 2.624 -15.861 1.00 0.00 C ATOM 231 CG1 VAL A 16 18.698 4.097 -15.771 1.00 0.00 C ATOM 232 CG2 VAL A 16 20.435 2.372 -15.238 1.00 0.00 C ATOM 0 H VAL A 16 16.275 2.731 -15.869 1.00 0.00 H new ATOM 0 HA VAL A 16 18.318 0.712 -15.202 1.00 0.00 H new ATOM 0 HB VAL A 16 19.121 2.350 -16.915 1.00 0.00 H new ATOM 0 HG11 VAL A 16 19.468 4.697 -16.256 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.742 4.262 -16.268 1.00 0.00 H new ATOM 0 HG13 VAL A 16 18.617 4.388 -14.724 1.00 0.00 H new ATOM 0 HG21 VAL A 16 21.181 2.996 -15.731 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.401 2.617 -14.176 1.00 0.00 H new ATOM 0 HG23 VAL A 16 20.703 1.322 -15.360 1.00 0.00 H new ATOM 242 N GLN A 17 16.913 3.133 -13.509 1.00 0.00 N ATOM 243 CA GLN A 17 16.659 3.649 -12.169 1.00 0.00 C ATOM 244 C GLN A 17 16.446 2.509 -11.179 1.00 0.00 C ATOM 245 O GLN A 17 16.998 2.517 -10.080 1.00 0.00 O ATOM 246 CB GLN A 17 15.438 4.570 -12.176 1.00 0.00 C ATOM 247 CG GLN A 17 14.727 4.648 -10.835 1.00 0.00 C ATOM 248 CD GLN A 17 13.719 5.779 -10.774 1.00 0.00 C ATOM 249 OE1 GLN A 17 14.070 6.923 -10.481 1.00 0.00 O ATOM 250 NE2 GLN A 17 12.459 5.465 -11.050 1.00 0.00 N ATOM 0 H GLN A 17 16.329 3.545 -14.237 1.00 0.00 H new ATOM 0 HA GLN A 17 17.533 4.220 -11.855 1.00 0.00 H new ATOM 0 HB2 GLN A 17 15.751 5.572 -12.471 1.00 0.00 H new ATOM 0 HB3 GLN A 17 14.734 4.221 -12.931 1.00 0.00 H new ATOM 0 HG2 GLN A 17 14.219 3.703 -10.642 1.00 0.00 H new ATOM 0 HG3 GLN A 17 15.465 4.781 -10.044 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.213 4.504 -11.288 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.737 6.185 -11.024 1.00 0.00 H new ATOM 259 N GLY A 18 15.640 1.529 -11.576 1.00 0.00 N ATOM 260 CA GLY A 18 15.367 0.396 -10.712 1.00 0.00 C ATOM 261 C GLY A 18 14.237 0.668 -9.739 1.00 0.00 C ATOM 262 O GLY A 18 14.266 0.206 -8.598 1.00 0.00 O ATOM 0 H GLY A 18 15.171 1.500 -12.481 1.00 0.00 H new ATOM 0 HA2 GLY A 18 15.115 -0.471 -11.323 1.00 0.00 H new ATOM 0 HA3 GLY A 18 16.269 0.142 -10.155 1.00 0.00 H new ATOM 266 N TYR A 19 13.239 1.420 -10.189 1.00 0.00 N ATOM 267 CA TYR A 19 12.096 1.756 -9.348 1.00 0.00 C ATOM 268 C TYR A 19 10.824 1.877 -10.182 1.00 0.00 C ATOM 269 O TYR A 19 10.856 1.760 -11.407 1.00 0.00 O ATOM 270 CB TYR A 19 12.355 3.065 -8.599 1.00 0.00 C ATOM 271 CG TYR A 19 13.326 2.922 -7.449 1.00 0.00 C ATOM 272 CD1 TYR A 19 13.044 2.086 -6.376 1.00 0.00 C ATOM 273 CD2 TYR A 19 14.525 3.624 -7.436 1.00 0.00 C ATOM 274 CE1 TYR A 19 13.928 1.953 -5.323 1.00 0.00 C ATOM 275 CE2 TYR A 19 15.416 3.497 -6.388 1.00 0.00 C ATOM 276 CZ TYR A 19 15.113 2.660 -5.333 1.00 0.00 C ATOM 277 OH TYR A 19 15.997 2.531 -4.287 1.00 0.00 O ATOM 0 H TYR A 19 13.198 1.809 -11.131 1.00 0.00 H new ATOM 0 HA TYR A 19 11.960 0.952 -8.625 1.00 0.00 H new ATOM 0 HB2 TYR A 19 12.741 3.805 -9.300 1.00 0.00 H new ATOM 0 HB3 TYR A 19 11.409 3.450 -8.219 1.00 0.00 H new ATOM 0 HD1 TYR A 19 12.118 1.531 -6.365 1.00 0.00 H new ATOM 0 HD2 TYR A 19 14.765 4.280 -8.260 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.693 1.299 -4.496 1.00 0.00 H new ATOM 0 HE2 TYR A 19 16.344 4.049 -6.394 1.00 0.00 H new ATOM 0 HH TYR A 19 16.782 3.095 -4.450 1.00 0.00 H new ATOM 287 N LYS A 20 9.703 2.113 -9.508 1.00 0.00 N ATOM 288 CA LYS A 20 8.419 2.253 -10.184 1.00 0.00 C ATOM 289 C LYS A 20 7.482 3.159 -9.390 1.00 0.00 C ATOM 290 O LYS A 20 7.863 3.708 -8.358 1.00 0.00 O ATOM 291 CB LYS A 20 7.772 0.880 -10.381 1.00 0.00 C ATOM 292 CG LYS A 20 8.322 0.114 -11.572 1.00 0.00 C ATOM 293 CD LYS A 20 9.400 -0.870 -11.151 1.00 0.00 C ATOM 294 CE LYS A 20 9.206 -2.226 -11.812 1.00 0.00 C ATOM 295 NZ LYS A 20 10.069 -2.385 -13.016 1.00 0.00 N ATOM 0 H LYS A 20 9.658 2.211 -8.494 1.00 0.00 H new ATOM 0 HA LYS A 20 8.597 2.708 -11.158 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.918 0.286 -9.479 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.697 1.009 -10.507 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.512 -0.422 -12.067 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.732 0.815 -12.299 1.00 0.00 H new ATOM 0 HD2 LYS A 20 10.380 -0.472 -11.415 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.384 -0.987 -10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.433 -3.015 -11.095 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.160 -2.345 -12.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.907 -3.322 -13.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.835 -1.648 -13.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.068 -2.297 -12.741 1.00 0.00 H new ATOM 309 N ASN A 21 6.256 3.308 -9.880 1.00 0.00 N ATOM 310 CA ASN A 21 5.265 4.147 -9.216 1.00 0.00 C ATOM 311 C ASN A 21 3.884 3.501 -9.266 1.00 0.00 C ATOM 312 O ASN A 21 3.297 3.346 -10.337 1.00 0.00 O ATOM 313 CB ASN A 21 5.217 5.530 -9.868 1.00 0.00 C ATOM 314 CG ASN A 21 6.534 6.273 -9.746 1.00 0.00 C ATOM 315 OD1 ASN A 21 7.513 5.876 -10.551 1.00 0.00 O flip ATOM 316 ND2 ASN A 21 6.669 7.192 -8.938 1.00 0.00 N flip ATOM 0 H ASN A 21 5.925 2.859 -10.734 1.00 0.00 H new ATOM 0 HA ASN A 21 5.559 4.255 -8.172 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.960 5.423 -10.922 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.426 6.120 -9.405 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.889 7.463 -8.339 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.561 7.682 -8.867 1.00 0.00 H new ATOM 323 N VAL A 22 3.369 3.126 -8.099 1.00 0.00 N ATOM 324 CA VAL A 22 2.056 2.498 -8.009 1.00 0.00 C ATOM 325 C VAL A 22 1.185 3.192 -6.968 1.00 0.00 C ATOM 326 O VAL A 22 1.691 3.772 -6.007 1.00 0.00 O ATOM 327 CB VAL A 22 2.172 1.004 -7.652 1.00 0.00 C ATOM 328 CG1 VAL A 22 2.693 0.833 -6.233 1.00 0.00 C ATOM 329 CG2 VAL A 22 0.829 0.311 -7.822 1.00 0.00 C ATOM 0 H VAL A 22 3.841 3.246 -7.203 1.00 0.00 H new ATOM 0 HA VAL A 22 1.591 2.595 -8.990 1.00 0.00 H new ATOM 0 HB VAL A 22 2.884 0.539 -8.334 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.768 -0.229 -5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.677 1.294 -6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.007 1.311 -5.534 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.929 -0.744 -7.566 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.094 0.776 -7.165 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.500 0.403 -8.857 1.00 0.00 H new ATOM 339 N ARG A 23 -0.128 3.129 -7.166 1.00 0.00 N ATOM 340 CA ARG A 23 -1.070 3.753 -6.244 1.00 0.00 C ATOM 341 C ARG A 23 -2.119 2.748 -5.778 1.00 0.00 C ATOM 342 O ARG A 23 -2.397 1.763 -6.463 1.00 0.00 O ATOM 343 CB ARG A 23 -1.753 4.948 -6.911 1.00 0.00 C ATOM 344 CG ARG A 23 -1.273 6.293 -6.390 1.00 0.00 C ATOM 345 CD ARG A 23 -2.348 6.986 -5.567 1.00 0.00 C ATOM 346 NE ARG A 23 -2.887 8.159 -6.249 1.00 0.00 N ATOM 347 CZ ARG A 23 -2.287 9.344 -6.260 1.00 0.00 C ATOM 348 NH1 ARG A 23 -1.132 9.512 -5.630 1.00 0.00 N ATOM 349 NH2 ARG A 23 -2.840 10.364 -6.903 1.00 0.00 N ATOM 0 H ARG A 23 -0.563 2.653 -7.956 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.513 4.101 -5.374 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.579 4.901 -7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.830 4.872 -6.758 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.381 6.151 -5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.988 6.929 -7.228 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.156 6.284 -5.360 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.932 7.285 -4.605 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.773 8.063 -6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.702 8.730 -5.135 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.673 10.423 -5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.727 10.239 -7.390 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.378 11.273 -6.910 1.00 0.00 H new ATOM 363 N ILE A 24 -2.698 3.004 -4.609 1.00 0.00 N ATOM 364 CA ILE A 24 -3.717 2.123 -4.053 1.00 0.00 C ATOM 365 C ILE A 24 -4.911 2.920 -3.537 1.00 0.00 C ATOM 366 O ILE A 24 -4.750 3.899 -2.808 1.00 0.00 O ATOM 367 CB ILE A 24 -3.153 1.265 -2.905 1.00 0.00 C ATOM 368 CG1 ILE A 24 -1.819 0.638 -3.316 1.00 0.00 C ATOM 369 CG2 ILE A 24 -4.151 0.188 -2.508 1.00 0.00 C ATOM 370 CD1 ILE A 24 -0.617 1.305 -2.685 1.00 0.00 C ATOM 0 H ILE A 24 -2.479 3.814 -4.029 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.042 1.467 -4.861 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.980 1.908 -2.042 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.824 -0.417 -3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.723 0.686 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.737 -0.410 -1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.079 0.655 -2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.353 -0.455 -3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.293 0.808 -3.021 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.587 2.354 -2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.689 1.234 -1.600 1.00 0.00 H new ATOM 382 N THR A 25 -6.110 2.492 -3.920 1.00 0.00 N ATOM 383 CA THR A 25 -7.332 3.164 -3.496 1.00 0.00 C ATOM 384 C THR A 25 -8.546 2.258 -3.668 1.00 0.00 C ATOM 385 O THR A 25 -9.269 2.354 -4.660 1.00 0.00 O ATOM 386 CB THR A 25 -7.561 4.465 -4.289 1.00 0.00 C ATOM 387 OG1 THR A 25 -6.472 5.370 -4.070 1.00 0.00 O ATOM 388 CG2 THR A 25 -8.867 5.127 -3.877 1.00 0.00 C ATOM 0 H THR A 25 -6.261 1.683 -4.523 1.00 0.00 H new ATOM 0 HA THR A 25 -7.209 3.406 -2.440 1.00 0.00 H new ATOM 0 HB THR A 25 -7.618 4.214 -5.348 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.716 6.012 -3.371 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.007 6.043 -4.450 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.697 4.447 -4.071 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.835 5.365 -2.814 1.00 0.00 H new ATOM 396 N PHE A 26 -8.764 1.379 -2.696 1.00 0.00 N ATOM 397 CA PHE A 26 -9.891 0.455 -2.740 1.00 0.00 C ATOM 398 C PHE A 26 -10.807 0.656 -1.535 1.00 0.00 C ATOM 399 O PHE A 26 -11.885 1.237 -1.653 1.00 0.00 O ATOM 400 CB PHE A 26 -9.392 -0.991 -2.779 1.00 0.00 C ATOM 401 CG PHE A 26 -10.498 -2.007 -2.798 1.00 0.00 C ATOM 402 CD1 PHE A 26 -11.066 -2.409 -3.996 1.00 0.00 C ATOM 403 CD2 PHE A 26 -10.969 -2.559 -1.618 1.00 0.00 C ATOM 404 CE1 PHE A 26 -12.084 -3.344 -4.016 1.00 0.00 C ATOM 405 CE2 PHE A 26 -11.986 -3.495 -1.633 1.00 0.00 C ATOM 406 CZ PHE A 26 -12.545 -3.887 -2.833 1.00 0.00 C ATOM 0 H PHE A 26 -8.175 1.287 -1.868 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.461 0.660 -3.646 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.769 -1.128 -3.663 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.758 -1.172 -1.911 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -10.710 -1.987 -4.924 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.537 -2.255 -0.676 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.519 -3.650 -4.956 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -12.343 -3.920 -0.706 1.00 0.00 H new ATOM 0 HZ PHE A 26 -13.341 -4.617 -2.846 1.00 0.00 H new ATOM 416 N GLU A 27 -10.367 0.170 -0.378 1.00 0.00 N ATOM 417 CA GLU A 27 -11.148 0.295 0.847 1.00 0.00 C ATOM 418 C GLU A 27 -10.429 -0.367 2.020 1.00 0.00 C ATOM 419 O GLU A 27 -9.973 -1.506 1.919 1.00 0.00 O ATOM 420 CB GLU A 27 -12.532 -0.331 0.663 1.00 0.00 C ATOM 421 CG GLU A 27 -13.672 0.664 0.792 1.00 0.00 C ATOM 422 CD GLU A 27 -15.010 0.073 0.393 1.00 0.00 C ATOM 423 OE1 GLU A 27 -15.350 0.133 -0.808 1.00 0.00 O ATOM 424 OE2 GLU A 27 -15.718 -0.449 1.279 1.00 0.00 O ATOM 0 H GLU A 27 -9.476 -0.313 -0.264 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.265 1.356 1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.581 -0.801 -0.319 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.665 -1.121 1.402 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.727 1.016 1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.463 1.533 0.169 1.00 0.00 H new ATOM 431 N LEU A 28 -10.332 0.355 3.130 1.00 0.00 N ATOM 432 CA LEU A 28 -9.669 -0.160 4.323 1.00 0.00 C ATOM 433 C LEU A 28 -10.453 0.201 5.581 1.00 0.00 C ATOM 434 O LEU A 28 -10.819 -0.672 6.368 1.00 0.00 O ATOM 435 CB LEU A 28 -8.246 0.392 4.418 1.00 0.00 C ATOM 436 CG LEU A 28 -7.128 -0.647 4.520 1.00 0.00 C ATOM 437 CD1 LEU A 28 -7.385 -1.595 5.680 1.00 0.00 C ATOM 438 CD2 LEU A 28 -6.998 -1.419 3.215 1.00 0.00 C ATOM 0 H LEU A 28 -10.704 1.299 3.229 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.626 -1.246 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.059 1.012 3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.188 1.045 5.289 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.189 -0.126 4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.579 -2.327 5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.427 -1.029 6.610 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.333 -2.110 5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.198 -2.154 3.305 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.937 -1.929 2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.766 -0.728 2.405 1.00 0.00 H new ATOM 450 N ASP A 29 -10.708 1.492 5.762 1.00 0.00 N ATOM 451 CA ASP A 29 -11.451 1.969 6.923 1.00 0.00 C ATOM 452 C ASP A 29 -12.631 2.835 6.494 1.00 0.00 C ATOM 453 O ASP A 29 -12.833 3.080 5.305 1.00 0.00 O ATOM 454 CB ASP A 29 -10.531 2.762 7.853 1.00 0.00 C ATOM 455 CG ASP A 29 -10.776 2.447 9.315 1.00 0.00 C ATOM 456 OD1 ASP A 29 -10.487 1.306 9.733 1.00 0.00 O ATOM 457 OD2 ASP A 29 -11.255 3.342 10.043 1.00 0.00 O ATOM 0 H ASP A 29 -10.411 2.227 5.120 1.00 0.00 H new ATOM 0 HA ASP A 29 -11.836 1.102 7.459 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -9.492 2.542 7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.680 3.828 7.684 1.00 0.00 H new ATOM 462 N GLU A 30 -13.408 3.293 7.470 1.00 0.00 N ATOM 463 CA GLU A 30 -14.570 4.130 7.193 1.00 0.00 C ATOM 464 C GLU A 30 -14.488 5.446 7.960 1.00 0.00 C ATOM 465 O GLU A 30 -15.190 6.406 7.643 1.00 0.00 O ATOM 466 CB GLU A 30 -15.858 3.391 7.561 1.00 0.00 C ATOM 467 CG GLU A 30 -15.902 2.929 9.008 1.00 0.00 C ATOM 468 CD GLU A 30 -17.232 3.222 9.674 1.00 0.00 C ATOM 469 OE1 GLU A 30 -17.509 4.409 9.948 1.00 0.00 O ATOM 470 OE2 GLU A 30 -17.997 2.266 9.920 1.00 0.00 O ATOM 0 H GLU A 30 -13.254 3.099 8.459 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.580 4.352 6.126 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -16.709 4.045 7.371 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -15.969 2.525 6.908 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.708 1.857 9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.105 3.419 9.566 1.00 0.00 H new ATOM 477 N ARG A 31 -13.627 5.482 8.972 1.00 0.00 N ATOM 478 CA ARG A 31 -13.454 6.679 9.786 1.00 0.00 C ATOM 479 C ARG A 31 -12.010 7.170 9.732 1.00 0.00 C ATOM 480 O ARG A 31 -11.647 8.138 10.400 1.00 0.00 O ATOM 481 CB ARG A 31 -13.854 6.397 11.236 1.00 0.00 C ATOM 482 CG ARG A 31 -13.058 5.275 11.880 1.00 0.00 C ATOM 483 CD ARG A 31 -12.597 5.650 13.280 1.00 0.00 C ATOM 484 NE ARG A 31 -11.510 6.625 13.255 1.00 0.00 N ATOM 485 CZ ARG A 31 -11.216 7.424 14.274 1.00 0.00 C ATOM 486 NH1 ARG A 31 -11.925 7.365 15.393 1.00 0.00 N ATOM 487 NH2 ARG A 31 -10.211 8.285 14.175 1.00 0.00 N ATOM 0 H ARG A 31 -13.038 4.696 9.248 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.100 7.459 9.382 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -13.724 7.306 11.823 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.914 6.144 11.269 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -13.670 4.374 11.927 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -12.192 5.041 11.261 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -13.437 6.058 13.841 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.268 4.754 13.806 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.946 6.696 12.408 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -12.698 6.705 15.473 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.697 7.980 16.174 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.664 8.333 13.316 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.986 8.898 14.958 1.00 0.00 H new ATOM 501 N VAL A 32 -11.191 6.495 8.932 1.00 0.00 N ATOM 502 CA VAL A 32 -9.787 6.862 8.790 1.00 0.00 C ATOM 503 C VAL A 32 -9.182 6.246 7.534 1.00 0.00 C ATOM 504 O VAL A 32 -8.029 5.816 7.534 1.00 0.00 O ATOM 505 CB VAL A 32 -8.964 6.418 10.014 1.00 0.00 C ATOM 506 CG1 VAL A 32 -8.618 4.940 9.917 1.00 0.00 C ATOM 507 CG2 VAL A 32 -7.705 7.262 10.143 1.00 0.00 C ATOM 0 H VAL A 32 -11.475 5.691 8.372 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.751 7.949 8.712 1.00 0.00 H new ATOM 0 HB VAL A 32 -9.567 6.567 10.910 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.037 4.644 10.790 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.536 4.353 9.877 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.033 4.762 9.015 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.135 6.935 11.013 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.096 7.147 9.246 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.980 8.310 10.263 1.00 0.00 H new ATOM 517 N ASP A 33 -9.968 6.207 6.463 1.00 0.00 N ATOM 518 CA ASP A 33 -9.510 5.644 5.198 1.00 0.00 C ATOM 519 C ASP A 33 -8.779 6.695 4.369 1.00 0.00 C ATOM 520 O ASP A 33 -7.770 6.404 3.727 1.00 0.00 O ATOM 521 CB ASP A 33 -10.692 5.084 4.406 1.00 0.00 C ATOM 522 CG ASP A 33 -11.220 6.068 3.381 1.00 0.00 C ATOM 523 OD1 ASP A 33 -12.063 6.913 3.749 1.00 0.00 O ATOM 524 OD2 ASP A 33 -10.791 5.993 2.210 1.00 0.00 O ATOM 0 H ASP A 33 -10.925 6.559 6.446 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.815 4.834 5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.386 4.167 3.902 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.493 4.816 5.095 1.00 0.00 H new ATOM 529 N LYS A 34 -9.295 7.920 4.387 1.00 0.00 N ATOM 530 CA LYS A 34 -8.692 9.016 3.638 1.00 0.00 C ATOM 531 C LYS A 34 -7.316 9.365 4.197 1.00 0.00 C ATOM 532 O LYS A 34 -6.524 10.044 3.544 1.00 0.00 O ATOM 533 CB LYS A 34 -9.599 10.248 3.678 1.00 0.00 C ATOM 534 CG LYS A 34 -9.451 11.070 4.947 1.00 0.00 C ATOM 535 CD LYS A 34 -9.867 10.280 6.176 1.00 0.00 C ATOM 536 CE LYS A 34 -10.274 11.198 7.318 1.00 0.00 C ATOM 537 NZ LYS A 34 -11.754 11.292 7.453 1.00 0.00 N ATOM 0 H LYS A 34 -10.130 8.178 4.913 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.573 8.694 2.603 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.378 10.880 2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.637 9.929 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.415 11.392 5.054 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.059 11.972 4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.698 9.622 5.923 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.043 9.643 6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.847 10.829 8.250 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.861 12.192 7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.991 11.927 8.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.160 11.668 6.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.146 10.347 7.639 1.00 0.00 H new ATOM 551 N VAL A 35 -7.038 8.896 5.409 1.00 0.00 N ATOM 552 CA VAL A 35 -5.757 9.156 6.055 1.00 0.00 C ATOM 553 C VAL A 35 -4.661 8.267 5.479 1.00 0.00 C ATOM 554 O VAL A 35 -3.474 8.490 5.723 1.00 0.00 O ATOM 555 CB VAL A 35 -5.840 8.932 7.576 1.00 0.00 C ATOM 556 CG1 VAL A 35 -4.568 9.414 8.257 1.00 0.00 C ATOM 557 CG2 VAL A 35 -7.061 9.632 8.152 1.00 0.00 C ATOM 0 H VAL A 35 -7.683 8.334 5.964 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.511 10.200 5.863 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.941 7.863 7.763 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.645 9.248 9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.714 8.862 7.865 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.432 10.478 8.063 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.104 9.463 9.228 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.994 10.702 7.955 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.962 9.234 7.686 1.00 0.00 H new ATOM 567 N LEU A 36 -5.065 7.259 4.714 1.00 0.00 N ATOM 568 CA LEU A 36 -4.117 6.335 4.103 1.00 0.00 C ATOM 569 C LEU A 36 -4.246 6.348 2.583 1.00 0.00 C ATOM 570 O LEU A 36 -3.577 5.587 1.886 1.00 0.00 O ATOM 571 CB LEU A 36 -4.341 4.918 4.633 1.00 0.00 C ATOM 572 CG LEU A 36 -5.447 4.113 3.948 1.00 0.00 C ATOM 573 CD1 LEU A 36 -4.858 3.186 2.896 1.00 0.00 C ATOM 574 CD2 LEU A 36 -6.242 3.320 4.975 1.00 0.00 C ATOM 0 H LEU A 36 -6.043 7.061 4.502 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.110 6.660 4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.406 4.365 4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.571 4.981 5.697 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.124 4.809 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.659 2.621 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.333 3.776 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.160 2.496 3.369 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.025 2.753 4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.577 2.633 5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -6.695 4.005 5.692 1.00 0.00 H new ATOM 586 N ASN A 37 -5.111 7.221 2.076 1.00 0.00 N ATOM 587 CA ASN A 37 -5.328 7.335 0.638 1.00 0.00 C ATOM 588 C ASN A 37 -5.005 8.743 0.149 1.00 0.00 C ATOM 589 O ASN A 37 -4.799 8.965 -1.044 1.00 0.00 O ATOM 590 CB ASN A 37 -6.775 6.981 0.289 1.00 0.00 C ATOM 591 CG ASN A 37 -7.195 7.529 -1.061 1.00 0.00 C ATOM 592 OD1 ASN A 37 -6.615 7.183 -2.091 1.00 0.00 O ATOM 593 ND2 ASN A 37 -8.207 8.388 -1.062 1.00 0.00 N ATOM 0 H ASN A 37 -5.673 7.859 2.639 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.659 6.634 0.139 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.891 5.897 0.290 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.438 7.374 1.060 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.534 8.790 -1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.658 8.646 -0.184 1.00 0.00 H new ATOM 600 N GLU A 38 -4.962 9.692 1.080 1.00 0.00 N ATOM 601 CA GLU A 38 -4.664 11.079 0.743 1.00 0.00 C ATOM 602 C GLU A 38 -3.316 11.501 1.320 1.00 0.00 C ATOM 603 O GLU A 38 -2.637 12.369 0.771 1.00 0.00 O ATOM 604 CB GLU A 38 -5.767 12.002 1.266 1.00 0.00 C ATOM 605 CG GLU A 38 -7.171 11.496 0.980 1.00 0.00 C ATOM 606 CD GLU A 38 -8.039 12.536 0.299 1.00 0.00 C ATOM 607 OE1 GLU A 38 -7.841 13.740 0.567 1.00 0.00 O ATOM 608 OE2 GLU A 38 -8.915 12.147 -0.501 1.00 0.00 O ATOM 0 H GLU A 38 -5.130 9.525 2.072 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.616 11.161 -0.343 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.646 12.125 2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.647 12.988 0.817 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.112 10.609 0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.641 11.192 1.915 1.00 0.00 H new ATOM 615 N LYS A 39 -2.935 10.883 2.432 1.00 0.00 N ATOM 616 CA LYS A 39 -1.669 11.192 3.085 1.00 0.00 C ATOM 617 C LYS A 39 -0.582 10.212 2.657 1.00 0.00 C ATOM 618 O LYS A 39 0.592 10.388 2.988 1.00 0.00 O ATOM 619 CB LYS A 39 -1.833 11.155 4.606 1.00 0.00 C ATOM 620 CG LYS A 39 -2.443 12.421 5.183 1.00 0.00 C ATOM 621 CD LYS A 39 -3.583 12.106 6.137 1.00 0.00 C ATOM 622 CE LYS A 39 -4.892 12.717 5.662 1.00 0.00 C ATOM 623 NZ LYS A 39 -4.789 14.193 5.500 1.00 0.00 N ATOM 0 H LYS A 39 -3.486 10.164 2.901 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.369 12.195 2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.460 10.305 4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.858 10.990 5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.675 12.990 5.707 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.809 13.052 4.373 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.696 11.026 6.227 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.343 12.485 7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.179 12.267 4.712 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.682 12.484 6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.727 14.623 5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.132 14.575 6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.435 14.414 4.547 1.00 0.00 H new ATOM 637 N CYS A 40 -0.979 9.181 1.918 1.00 0.00 N ATOM 638 CA CYS A 40 -0.037 8.173 1.444 1.00 0.00 C ATOM 639 C CYS A 40 -0.753 7.103 0.627 1.00 0.00 C ATOM 640 O CYS A 40 -1.138 6.059 1.154 1.00 0.00 O ATOM 641 CB CYS A 40 0.691 7.529 2.625 1.00 0.00 C ATOM 642 SG CYS A 40 -0.395 7.053 3.990 1.00 0.00 S ATOM 0 H CYS A 40 -1.946 9.022 1.635 1.00 0.00 H new ATOM 0 HA CYS A 40 0.693 8.666 0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.222 6.645 2.272 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.442 8.225 2.998 1.00 0.00 H new ATOM 0 HG CYS A 40 0.105 6.021 4.602 1.00 0.00 H new ATOM 648 N SER A 41 -0.930 7.370 -0.663 1.00 0.00 N ATOM 649 CA SER A 41 -1.605 6.432 -1.553 1.00 0.00 C ATOM 650 C SER A 41 -0.654 5.929 -2.635 1.00 0.00 C ATOM 651 O SER A 41 -0.906 4.908 -3.274 1.00 0.00 O ATOM 652 CB SER A 41 -2.824 7.094 -2.197 1.00 0.00 C ATOM 653 OG SER A 41 -2.568 8.457 -2.491 1.00 0.00 O ATOM 0 H SER A 41 -0.615 8.228 -1.115 1.00 0.00 H new ATOM 0 HA SER A 41 -1.935 5.580 -0.959 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.088 6.565 -3.112 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.680 7.018 -1.526 1.00 0.00 H new ATOM 0 HG SER A 41 -3.278 9.013 -2.107 1.00 0.00 H new ATOM 659 N VAL A 42 0.442 6.655 -2.835 1.00 0.00 N ATOM 660 CA VAL A 42 1.432 6.284 -3.838 1.00 0.00 C ATOM 661 C VAL A 42 2.679 5.693 -3.188 1.00 0.00 C ATOM 662 O VAL A 42 3.135 6.171 -2.149 1.00 0.00 O ATOM 663 CB VAL A 42 1.840 7.494 -4.699 1.00 0.00 C ATOM 664 CG1 VAL A 42 2.186 8.684 -3.817 1.00 0.00 C ATOM 665 CG2 VAL A 42 3.008 7.134 -5.605 1.00 0.00 C ATOM 0 H VAL A 42 0.666 7.504 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 42 0.968 5.533 -4.477 1.00 0.00 H new ATOM 0 HB VAL A 42 0.994 7.772 -5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.472 9.530 -4.443 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.319 8.955 -3.215 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.016 8.421 -3.161 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.283 8.001 -6.206 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.860 6.829 -4.997 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.719 6.314 -6.262 1.00 0.00 H new ATOM 675 N TYR A 43 3.225 4.652 -3.807 1.00 0.00 N ATOM 676 CA TYR A 43 4.418 3.995 -3.288 1.00 0.00 C ATOM 677 C TYR A 43 5.374 3.629 -4.419 1.00 0.00 C ATOM 678 O TYR A 43 4.958 3.432 -5.561 1.00 0.00 O ATOM 679 CB TYR A 43 4.033 2.739 -2.504 1.00 0.00 C ATOM 680 CG TYR A 43 3.065 3.004 -1.373 1.00 0.00 C ATOM 681 CD1 TYR A 43 1.715 3.213 -1.623 1.00 0.00 C ATOM 682 CD2 TYR A 43 3.501 3.046 -0.054 1.00 0.00 C ATOM 683 CE1 TYR A 43 0.827 3.456 -0.593 1.00 0.00 C ATOM 684 CE2 TYR A 43 2.620 3.287 0.982 1.00 0.00 C ATOM 685 CZ TYR A 43 1.284 3.491 0.707 1.00 0.00 C ATOM 686 OH TYR A 43 0.403 3.733 1.737 1.00 0.00 O ATOM 0 H TYR A 43 2.860 4.245 -4.668 1.00 0.00 H new ATOM 0 HA TYR A 43 4.924 4.692 -2.620 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.590 2.015 -3.188 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.936 2.283 -2.099 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.353 3.185 -2.640 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.547 2.887 0.165 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.220 3.618 -0.805 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.975 3.316 2.002 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.136 4.524 1.527 1.00 0.00 H new ATOM 696 N THR A 44 6.660 3.539 -4.092 1.00 0.00 N ATOM 697 CA THR A 44 7.677 3.197 -5.079 1.00 0.00 C ATOM 698 C THR A 44 8.064 1.726 -4.983 1.00 0.00 C ATOM 699 O THR A 44 8.249 1.193 -3.889 1.00 0.00 O ATOM 700 CB THR A 44 8.940 4.062 -4.906 1.00 0.00 C ATOM 701 OG1 THR A 44 8.574 5.399 -4.547 1.00 0.00 O ATOM 702 CG2 THR A 44 9.762 4.082 -6.186 1.00 0.00 C ATOM 0 H THR A 44 7.021 3.698 -3.152 1.00 0.00 H new ATOM 0 HA THR A 44 7.244 3.392 -6.060 1.00 0.00 H new ATOM 0 HB THR A 44 9.545 3.626 -4.111 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.383 5.941 -4.437 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.649 4.699 -6.039 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.065 3.066 -6.440 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.162 4.495 -6.997 1.00 0.00 H new ATOM 710 N VAL A 45 8.187 1.075 -6.135 1.00 0.00 N ATOM 711 CA VAL A 45 8.554 -0.335 -6.180 1.00 0.00 C ATOM 712 C VAL A 45 9.892 -0.532 -6.885 1.00 0.00 C ATOM 713 O VAL A 45 10.052 -0.162 -8.047 1.00 0.00 O ATOM 714 CB VAL A 45 7.480 -1.173 -6.899 1.00 0.00 C ATOM 715 CG1 VAL A 45 7.856 -2.647 -6.890 1.00 0.00 C ATOM 716 CG2 VAL A 45 6.118 -0.957 -6.256 1.00 0.00 C ATOM 0 H VAL A 45 8.038 1.502 -7.049 1.00 0.00 H new ATOM 0 HA VAL A 45 8.636 -0.673 -5.147 1.00 0.00 H new ATOM 0 HB VAL A 45 7.423 -0.845 -7.937 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.085 -3.222 -7.403 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.809 -2.782 -7.401 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.943 -2.994 -5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.371 -1.556 -6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.158 -1.256 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.848 0.097 -6.322 1.00 0.00 H new ATOM 726 N GLU A 46 10.849 -1.118 -6.172 1.00 0.00 N ATOM 727 CA GLU A 46 12.174 -1.364 -6.730 1.00 0.00 C ATOM 728 C GLU A 46 12.077 -2.148 -8.036 1.00 0.00 C ATOM 729 O GLU A 46 10.991 -2.549 -8.452 1.00 0.00 O ATOM 730 CB GLU A 46 13.040 -2.127 -5.727 1.00 0.00 C ATOM 731 CG GLU A 46 13.572 -1.260 -4.598 1.00 0.00 C ATOM 732 CD GLU A 46 13.858 -2.054 -3.338 1.00 0.00 C ATOM 733 OE1 GLU A 46 12.940 -2.189 -2.502 1.00 0.00 O ATOM 734 OE2 GLU A 46 14.998 -2.540 -3.188 1.00 0.00 O ATOM 0 H GLU A 46 10.732 -1.431 -5.208 1.00 0.00 H new ATOM 0 HA GLU A 46 12.637 -0.400 -6.939 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.456 -2.943 -5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.881 -2.578 -6.255 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.486 -0.764 -4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.847 -0.478 -4.373 1.00 0.00 H new ATOM 741 N SER A 47 13.222 -2.361 -8.677 1.00 0.00 N ATOM 742 CA SER A 47 13.267 -3.092 -9.938 1.00 0.00 C ATOM 743 C SER A 47 12.955 -4.570 -9.720 1.00 0.00 C ATOM 744 O SER A 47 12.474 -5.254 -10.622 1.00 0.00 O ATOM 745 CB SER A 47 14.643 -2.941 -10.591 1.00 0.00 C ATOM 746 OG SER A 47 14.522 -2.587 -11.958 1.00 0.00 O ATOM 0 H SER A 47 14.130 -2.038 -8.344 1.00 0.00 H new ATOM 0 HA SER A 47 12.510 -2.672 -10.600 1.00 0.00 H new ATOM 0 HB2 SER A 47 15.218 -2.179 -10.064 1.00 0.00 H new ATOM 0 HB3 SER A 47 15.196 -3.876 -10.502 1.00 0.00 H new ATOM 0 HG SER A 47 15.414 -2.495 -12.352 1.00 0.00 H new ATOM 752 N GLY A 48 13.234 -5.056 -8.514 1.00 0.00 N ATOM 753 CA GLY A 48 12.977 -6.448 -8.198 1.00 0.00 C ATOM 754 C GLY A 48 12.102 -6.613 -6.971 1.00 0.00 C ATOM 755 O GLY A 48 12.602 -6.813 -5.863 1.00 0.00 O ATOM 0 H GLY A 48 13.633 -4.510 -7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.496 -6.928 -9.050 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.925 -6.961 -8.036 1.00 0.00 H new ATOM 759 N THR A 49 10.790 -6.527 -7.166 1.00 0.00 N ATOM 760 CA THR A 49 9.843 -6.664 -6.066 1.00 0.00 C ATOM 761 C THR A 49 8.719 -7.629 -6.426 1.00 0.00 C ATOM 762 O THR A 49 8.421 -7.838 -7.601 1.00 0.00 O ATOM 763 CB THR A 49 9.233 -5.305 -5.677 1.00 0.00 C ATOM 764 OG1 THR A 49 10.124 -4.245 -6.042 1.00 0.00 O ATOM 765 CG2 THR A 49 8.952 -5.245 -4.183 1.00 0.00 C ATOM 0 H THR A 49 10.359 -6.363 -8.076 1.00 0.00 H new ATOM 0 HA THR A 49 10.400 -7.060 -5.217 1.00 0.00 H new ATOM 0 HB THR A 49 8.291 -5.189 -6.213 1.00 0.00 H new ATOM 0 HG1 THR A 49 10.010 -3.494 -5.423 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.521 -4.275 -3.932 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.251 -6.034 -3.913 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.882 -5.382 -3.632 1.00 0.00 H new ATOM 773 N GLU A 50 8.097 -8.213 -5.406 1.00 0.00 N ATOM 774 CA GLU A 50 7.005 -9.156 -5.617 1.00 0.00 C ATOM 775 C GLU A 50 5.694 -8.602 -5.067 1.00 0.00 C ATOM 776 O GLU A 50 5.689 -7.802 -4.131 1.00 0.00 O ATOM 777 CB GLU A 50 7.324 -10.497 -4.952 1.00 0.00 C ATOM 778 CG GLU A 50 7.912 -11.524 -5.904 1.00 0.00 C ATOM 779 CD GLU A 50 7.011 -12.730 -6.090 1.00 0.00 C ATOM 780 OE1 GLU A 50 5.833 -12.538 -6.459 1.00 0.00 O ATOM 781 OE2 GLU A 50 7.483 -13.864 -5.867 1.00 0.00 O ATOM 0 H GLU A 50 8.331 -8.050 -4.427 1.00 0.00 H new ATOM 0 HA GLU A 50 6.893 -9.309 -6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.024 -10.330 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.412 -10.901 -4.513 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.091 -11.056 -6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.880 -11.853 -5.525 1.00 0.00 H new ATOM 788 N VAL A 51 4.583 -9.032 -5.656 1.00 0.00 N ATOM 789 CA VAL A 51 3.265 -8.581 -5.225 1.00 0.00 C ATOM 790 C VAL A 51 2.990 -8.986 -3.782 1.00 0.00 C ATOM 791 O VAL A 51 2.091 -8.449 -3.134 1.00 0.00 O ATOM 792 CB VAL A 51 2.155 -9.149 -6.128 1.00 0.00 C ATOM 793 CG1 VAL A 51 0.825 -8.475 -5.828 1.00 0.00 C ATOM 794 CG2 VAL A 51 2.525 -8.987 -7.594 1.00 0.00 C ATOM 0 H VAL A 51 4.569 -9.692 -6.433 1.00 0.00 H new ATOM 0 HA VAL A 51 3.262 -7.494 -5.300 1.00 0.00 H new ATOM 0 HB VAL A 51 2.051 -10.214 -5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.053 -8.889 -6.476 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.556 -8.648 -4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.912 -7.403 -6.007 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.729 -9.394 -8.217 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.659 -7.929 -7.821 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.453 -9.521 -7.796 1.00 0.00 H new ATOM 804 N THR A 52 3.770 -9.939 -3.281 1.00 0.00 N ATOM 805 CA THR A 52 3.610 -10.418 -1.914 1.00 0.00 C ATOM 806 C THR A 52 4.526 -9.664 -0.957 1.00 0.00 C ATOM 807 O THR A 52 4.318 -9.680 0.256 1.00 0.00 O ATOM 808 CB THR A 52 3.906 -11.926 -1.809 1.00 0.00 C ATOM 809 OG1 THR A 52 3.874 -12.337 -0.438 1.00 0.00 O ATOM 810 CG2 THR A 52 5.264 -12.254 -2.411 1.00 0.00 C ATOM 0 H THR A 52 4.519 -10.394 -3.802 1.00 0.00 H new ATOM 0 HA THR A 52 2.571 -10.239 -1.636 1.00 0.00 H new ATOM 0 HB THR A 52 3.140 -12.464 -2.367 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.078 -11.571 0.138 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.451 -13.324 -2.325 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.275 -11.967 -3.462 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.041 -11.706 -1.877 1.00 0.00 H new ATOM 818 N GLU A 53 5.539 -9.005 -1.510 1.00 0.00 N ATOM 819 CA GLU A 53 6.487 -8.245 -0.703 1.00 0.00 C ATOM 820 C GLU A 53 5.815 -7.024 -0.081 1.00 0.00 C ATOM 821 O GLU A 53 6.133 -6.631 1.041 1.00 0.00 O ATOM 822 CB GLU A 53 7.679 -7.806 -1.555 1.00 0.00 C ATOM 823 CG GLU A 53 9.024 -8.052 -0.893 1.00 0.00 C ATOM 824 CD GLU A 53 9.920 -8.963 -1.710 1.00 0.00 C ATOM 825 OE1 GLU A 53 9.775 -10.198 -1.594 1.00 0.00 O ATOM 826 OE2 GLU A 53 10.765 -8.440 -2.466 1.00 0.00 O ATOM 0 H GLU A 53 5.725 -8.982 -2.513 1.00 0.00 H new ATOM 0 HA GLU A 53 6.842 -8.891 0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.650 -8.337 -2.507 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.583 -6.744 -1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 53 9.528 -7.098 -0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 53 8.865 -8.493 0.091 1.00 0.00 H new ATOM 833 N PHE A 54 4.885 -6.428 -0.820 1.00 0.00 N ATOM 834 CA PHE A 54 4.169 -5.250 -0.342 1.00 0.00 C ATOM 835 C PHE A 54 3.166 -5.627 0.744 1.00 0.00 C ATOM 836 O PHE A 54 2.758 -4.786 1.546 1.00 0.00 O ATOM 837 CB PHE A 54 3.446 -4.562 -1.502 1.00 0.00 C ATOM 838 CG PHE A 54 4.237 -4.552 -2.780 1.00 0.00 C ATOM 839 CD1 PHE A 54 5.385 -3.786 -2.893 1.00 0.00 C ATOM 840 CD2 PHE A 54 3.830 -5.309 -3.867 1.00 0.00 C ATOM 841 CE1 PHE A 54 6.115 -3.775 -4.067 1.00 0.00 C ATOM 842 CE2 PHE A 54 4.556 -5.303 -5.043 1.00 0.00 C ATOM 843 CZ PHE A 54 5.699 -4.534 -5.144 1.00 0.00 C ATOM 0 H PHE A 54 4.610 -6.741 -1.751 1.00 0.00 H new ATOM 0 HA PHE A 54 4.898 -4.560 0.084 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.495 -5.065 -1.677 1.00 0.00 H new ATOM 0 HB3 PHE A 54 3.216 -3.535 -1.218 1.00 0.00 H new ATOM 0 HD1 PHE A 54 5.714 -3.190 -2.054 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.936 -5.910 -3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.009 -3.174 -4.142 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.230 -5.899 -5.882 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.266 -4.526 -6.063 1.00 0.00 H new ATOM 853 N ALA A 55 2.773 -6.896 0.764 1.00 0.00 N ATOM 854 CA ALA A 55 1.819 -7.385 1.752 1.00 0.00 C ATOM 855 C ALA A 55 2.320 -7.133 3.170 1.00 0.00 C ATOM 856 O ALA A 55 1.533 -7.069 4.115 1.00 0.00 O ATOM 857 CB ALA A 55 1.553 -8.868 1.540 1.00 0.00 C ATOM 0 H ALA A 55 3.100 -7.604 0.107 1.00 0.00 H new ATOM 0 HA ALA A 55 0.886 -6.837 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.839 -9.220 2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.144 -9.025 0.542 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.486 -9.423 1.641 1.00 0.00 H new ATOM 863 N CYS A 56 3.634 -6.992 3.312 1.00 0.00 N ATOM 864 CA CYS A 56 4.240 -6.749 4.616 1.00 0.00 C ATOM 865 C CYS A 56 4.850 -5.353 4.680 1.00 0.00 C ATOM 866 O CYS A 56 5.603 -5.034 5.600 1.00 0.00 O ATOM 867 CB CYS A 56 5.312 -7.801 4.907 1.00 0.00 C ATOM 868 SG CYS A 56 5.040 -8.727 6.436 1.00 0.00 S ATOM 0 H CYS A 56 4.299 -7.042 2.540 1.00 0.00 H new ATOM 0 HA CYS A 56 3.458 -6.819 5.372 1.00 0.00 H new ATOM 0 HB2 CYS A 56 5.354 -8.502 4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 56 6.283 -7.310 4.960 1.00 0.00 H new ATOM 0 HG CYS A 56 5.996 -9.593 6.594 1.00 0.00 H new ATOM 874 N VAL A 57 4.520 -4.523 3.695 1.00 0.00 N ATOM 875 CA VAL A 57 5.036 -3.160 3.639 1.00 0.00 C ATOM 876 C VAL A 57 3.902 -2.142 3.665 1.00 0.00 C ATOM 877 O VAL A 57 4.055 -1.039 4.190 1.00 0.00 O ATOM 878 CB VAL A 57 5.886 -2.933 2.374 1.00 0.00 C ATOM 879 CG1 VAL A 57 6.371 -1.493 2.308 1.00 0.00 C ATOM 880 CG2 VAL A 57 7.058 -3.902 2.340 1.00 0.00 C ATOM 0 H VAL A 57 3.898 -4.771 2.925 1.00 0.00 H new ATOM 0 HA VAL A 57 5.664 -3.023 4.519 1.00 0.00 H new ATOM 0 HB VAL A 57 5.263 -3.121 1.499 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.970 -1.352 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.513 -0.821 2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 57 6.978 -1.273 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.648 -3.728 1.440 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.683 -3.748 3.219 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.684 -4.926 2.336 1.00 0.00 H new ATOM 890 N VAL A 58 2.761 -2.520 3.095 1.00 0.00 N ATOM 891 CA VAL A 58 1.599 -1.640 3.054 1.00 0.00 C ATOM 892 C VAL A 58 0.677 -1.893 4.241 1.00 0.00 C ATOM 893 O VAL A 58 -0.320 -1.195 4.426 1.00 0.00 O ATOM 894 CB VAL A 58 0.801 -1.825 1.750 1.00 0.00 C ATOM 895 CG1 VAL A 58 -0.215 -0.706 1.582 1.00 0.00 C ATOM 896 CG2 VAL A 58 1.741 -1.886 0.555 1.00 0.00 C ATOM 0 H VAL A 58 2.617 -3.429 2.656 1.00 0.00 H new ATOM 0 HA VAL A 58 1.974 -0.618 3.100 1.00 0.00 H new ATOM 0 HB VAL A 58 0.260 -2.769 1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.769 -0.854 0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.907 -0.714 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.302 0.253 1.546 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.161 -2.017 -0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.311 -0.959 0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.426 -2.726 0.673 1.00 0.00 H new ATOM 906 N ALA A 59 1.016 -2.896 5.045 1.00 0.00 N ATOM 907 CA ALA A 59 0.220 -3.239 6.216 1.00 0.00 C ATOM 908 C ALA A 59 0.783 -2.585 7.474 1.00 0.00 C ATOM 909 O ALA A 59 0.177 -2.652 8.543 1.00 0.00 O ATOM 910 CB ALA A 59 0.158 -4.750 6.388 1.00 0.00 C ATOM 0 H ALA A 59 1.837 -3.485 4.906 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.790 -2.860 6.061 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.440 -4.992 7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.297 -5.198 5.505 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.166 -5.143 6.516 1.00 0.00 H new ATOM 916 N GLU A 60 1.944 -1.953 7.337 1.00 0.00 N ATOM 917 CA GLU A 60 2.588 -1.288 8.464 1.00 0.00 C ATOM 918 C GLU A 60 2.608 0.225 8.264 1.00 0.00 C ATOM 919 O GLU A 60 2.231 0.985 9.156 1.00 0.00 O ATOM 920 CB GLU A 60 4.016 -1.808 8.644 1.00 0.00 C ATOM 921 CG GLU A 60 4.816 -1.848 7.353 1.00 0.00 C ATOM 922 CD GLU A 60 6.160 -2.531 7.521 1.00 0.00 C ATOM 923 OE1 GLU A 60 6.450 -3.004 8.639 1.00 0.00 O ATOM 924 OE2 GLU A 60 6.921 -2.592 6.532 1.00 0.00 O ATOM 0 H GLU A 60 2.458 -1.887 6.458 1.00 0.00 H new ATOM 0 HA GLU A 60 2.012 -1.511 9.362 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.536 -1.176 9.364 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.978 -2.811 9.069 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.240 -2.370 6.589 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.972 -0.830 6.995 1.00 0.00 H new ATOM 931 N ALA A 61 3.052 0.655 7.087 1.00 0.00 N ATOM 932 CA ALA A 61 3.120 2.075 6.769 1.00 0.00 C ATOM 933 C ALA A 61 1.768 2.750 6.977 1.00 0.00 C ATOM 934 O ALA A 61 1.693 3.864 7.496 1.00 0.00 O ATOM 935 CB ALA A 61 3.596 2.273 5.337 1.00 0.00 C ATOM 0 H ALA A 61 3.370 0.039 6.338 1.00 0.00 H new ATOM 0 HA ALA A 61 3.837 2.540 7.446 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.642 3.339 5.113 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.587 1.834 5.219 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.900 1.788 4.652 1.00 0.00 H new ATOM 941 N VAL A 62 0.703 2.069 6.568 1.00 0.00 N ATOM 942 CA VAL A 62 -0.647 2.602 6.710 1.00 0.00 C ATOM 943 C VAL A 62 -0.989 2.847 8.175 1.00 0.00 C ATOM 944 O VAL A 62 -1.534 3.893 8.530 1.00 0.00 O ATOM 945 CB VAL A 62 -1.693 1.650 6.102 1.00 0.00 C ATOM 946 CG1 VAL A 62 -3.100 2.172 6.353 1.00 0.00 C ATOM 947 CG2 VAL A 62 -1.443 1.465 4.613 1.00 0.00 C ATOM 0 H VAL A 62 0.749 1.146 6.135 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.672 3.549 6.171 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.599 0.678 6.587 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.826 1.486 5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.274 2.249 7.426 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.210 3.156 5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.192 0.789 4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.508 2.430 4.110 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.450 1.043 4.461 1.00 0.00 H new ATOM 957 N VAL A 63 -0.666 1.876 9.023 1.00 0.00 N ATOM 958 CA VAL A 63 -0.937 1.987 10.452 1.00 0.00 C ATOM 959 C VAL A 63 -0.317 3.252 11.033 1.00 0.00 C ATOM 960 O VAL A 63 -0.936 3.948 11.838 1.00 0.00 O ATOM 961 CB VAL A 63 -0.402 0.765 11.221 1.00 0.00 C ATOM 962 CG1 VAL A 63 -0.639 0.928 12.715 1.00 0.00 C ATOM 963 CG2 VAL A 63 -1.047 -0.513 10.707 1.00 0.00 C ATOM 0 H VAL A 63 -0.216 1.004 8.746 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.020 2.033 10.566 1.00 0.00 H new ATOM 0 HB VAL A 63 0.673 0.695 11.053 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.254 0.055 13.242 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.125 1.821 13.070 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.708 1.025 12.905 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.657 -1.366 11.262 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.127 -0.455 10.842 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.820 -0.635 9.648 1.00 0.00 H new ATOM 973 N LYS A 64 0.912 3.545 10.620 1.00 0.00 N ATOM 974 CA LYS A 64 1.618 4.728 11.097 1.00 0.00 C ATOM 975 C LYS A 64 0.735 5.968 10.994 1.00 0.00 C ATOM 976 O LYS A 64 0.318 6.532 12.006 1.00 0.00 O ATOM 977 CB LYS A 64 2.905 4.937 10.295 1.00 0.00 C ATOM 978 CG LYS A 64 3.687 3.658 10.056 1.00 0.00 C ATOM 979 CD LYS A 64 3.848 2.855 11.336 1.00 0.00 C ATOM 980 CE LYS A 64 4.546 3.664 12.418 1.00 0.00 C ATOM 981 NZ LYS A 64 5.059 2.797 13.515 1.00 0.00 N ATOM 0 H LYS A 64 1.440 2.979 9.956 1.00 0.00 H new ATOM 0 HA LYS A 64 1.872 4.571 12.145 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.655 5.385 9.333 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.540 5.648 10.823 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.176 3.053 9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.670 3.901 9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.868 2.537 11.693 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.421 1.951 11.130 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.373 4.221 11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.851 4.397 12.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.528 3.386 14.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.267 2.284 13.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.741 2.114 13.128 1.00 0.00 H new ATOM 995 N THR A 65 0.453 6.387 9.764 1.00 0.00 N ATOM 996 CA THR A 65 -0.381 7.559 9.529 1.00 0.00 C ATOM 997 C THR A 65 -1.767 7.380 10.139 1.00 0.00 C ATOM 998 O THR A 65 -2.479 8.354 10.384 1.00 0.00 O ATOM 999 CB THR A 65 -0.528 7.851 8.024 1.00 0.00 C ATOM 1000 OG1 THR A 65 0.246 6.915 7.266 1.00 0.00 O ATOM 1001 CG2 THR A 65 -0.079 9.268 7.701 1.00 0.00 C ATOM 0 H THR A 65 0.790 5.932 8.916 1.00 0.00 H new ATOM 0 HA THR A 65 0.117 8.402 10.008 1.00 0.00 H new ATOM 0 HB THR A 65 -1.580 7.751 7.758 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.019 6.996 6.316 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.192 9.451 6.632 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.690 9.979 8.257 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.967 9.391 7.981 1.00 0.00 H new ATOM 1009 N LEU A 66 -2.143 6.129 10.382 1.00 0.00 N ATOM 1010 CA LEU A 66 -3.445 5.821 10.964 1.00 0.00 C ATOM 1011 C LEU A 66 -3.297 5.326 12.399 1.00 0.00 C ATOM 1012 O LEU A 66 -3.829 4.277 12.760 1.00 0.00 O ATOM 1013 CB LEU A 66 -4.167 4.769 10.120 1.00 0.00 C ATOM 1014 CG LEU A 66 -4.906 5.289 8.887 1.00 0.00 C ATOM 1015 CD1 LEU A 66 -3.953 6.040 7.970 1.00 0.00 C ATOM 1016 CD2 LEU A 66 -5.573 4.142 8.142 1.00 0.00 C ATOM 0 H LEU A 66 -1.565 5.312 10.185 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.036 6.737 10.975 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.436 4.029 9.795 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.884 4.251 10.757 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.681 5.981 9.217 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.497 6.403 7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.523 6.886 8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.155 5.371 7.648 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.094 4.531 7.267 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.816 3.425 7.824 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.287 3.647 8.800 1.00 0.00 H new ATOM 1028 N GLN A 67 -2.571 6.088 13.210 1.00 0.00 N ATOM 1029 CA GLN A 67 -2.354 5.726 14.606 1.00 0.00 C ATOM 1030 C GLN A 67 -2.738 6.875 15.532 1.00 0.00 C ATOM 1031 O GLN A 67 -2.106 7.113 16.562 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.892 5.338 14.833 1.00 0.00 C ATOM 1033 CG GLN A 67 -0.622 3.853 14.658 1.00 0.00 C ATOM 1034 CD GLN A 67 -0.096 3.202 15.922 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -0.731 3.263 16.976 1.00 0.00 O ATOM 1036 NE2 GLN A 67 1.069 2.573 15.823 1.00 0.00 N ATOM 0 H GLN A 67 -2.123 6.959 12.925 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.989 4.871 14.836 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.265 5.897 14.139 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.598 5.636 15.839 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.542 3.354 14.353 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.100 3.711 13.854 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.561 2.548 14.930 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.472 2.115 16.640 1.00 0.00 H new ATOM 1045 N PRO A 68 -3.799 7.607 15.160 1.00 0.00 N ATOM 1046 CA PRO A 68 -4.291 8.744 15.944 1.00 0.00 C ATOM 1047 C PRO A 68 -4.929 8.308 17.259 1.00 0.00 C ATOM 1048 O PRO A 68 -4.593 8.825 18.325 1.00 0.00 O ATOM 1049 CB PRO A 68 -5.337 9.381 15.027 1.00 0.00 C ATOM 1050 CG PRO A 68 -5.796 8.270 14.146 1.00 0.00 C ATOM 1051 CD PRO A 68 -4.600 7.381 13.946 1.00 0.00 C ATOM 0 HA PRO A 68 -3.486 9.421 16.230 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.164 9.799 15.601 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -4.909 10.197 14.445 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.618 7.721 14.606 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -6.162 8.653 13.193 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -4.889 6.335 13.845 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.048 7.648 13.045 1.00 0.00 H new ATOM 1059 N VAL A 69 -5.851 7.355 17.176 1.00 0.00 N ATOM 1060 CA VAL A 69 -6.535 6.848 18.360 1.00 0.00 C ATOM 1061 C VAL A 69 -7.111 5.459 18.110 1.00 0.00 C ATOM 1062 O VAL A 69 -8.327 5.287 18.020 1.00 0.00 O ATOM 1063 CB VAL A 69 -7.671 7.792 18.798 1.00 0.00 C ATOM 1064 CG1 VAL A 69 -7.124 8.929 19.648 1.00 0.00 C ATOM 1065 CG2 VAL A 69 -8.413 8.332 17.585 1.00 0.00 C ATOM 0 H VAL A 69 -6.142 6.918 16.301 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.792 6.791 19.155 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.377 7.224 19.404 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.941 9.585 19.948 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.643 8.520 20.536 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.396 9.498 19.070 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.212 8.997 17.913 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.720 8.884 16.950 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.840 7.503 17.021 1.00 0.00 H new ATOM 1075 N SER A 70 -6.230 4.470 18.000 1.00 0.00 N ATOM 1076 CA SER A 70 -6.651 3.095 17.757 1.00 0.00 C ATOM 1077 C SER A 70 -7.207 2.464 19.030 1.00 0.00 C ATOM 1078 O SER A 70 -7.711 1.341 19.010 1.00 0.00 O ATOM 1079 CB SER A 70 -5.477 2.266 17.234 1.00 0.00 C ATOM 1080 OG SER A 70 -4.302 3.052 17.130 1.00 0.00 O ATOM 0 H SER A 70 -5.220 4.595 18.075 1.00 0.00 H new ATOM 0 HA SER A 70 -7.440 3.110 17.005 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.297 1.424 17.902 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.728 1.851 16.258 1.00 0.00 H new ATOM 0 HG SER A 70 -3.515 2.485 17.270 1.00 0.00 H new ATOM 1086 N ASP A 71 -7.110 3.194 20.136 1.00 0.00 N ATOM 1087 CA ASP A 71 -7.604 2.708 21.419 1.00 0.00 C ATOM 1088 C ASP A 71 -9.128 2.728 21.457 1.00 0.00 C ATOM 1089 O ASP A 71 -9.746 2.119 22.332 1.00 0.00 O ATOM 1090 CB ASP A 71 -7.041 3.556 22.560 1.00 0.00 C ATOM 1091 CG ASP A 71 -7.573 4.976 22.544 1.00 0.00 C ATOM 1092 OD1 ASP A 71 -8.766 5.166 22.862 1.00 0.00 O ATOM 1093 OD2 ASP A 71 -6.797 5.896 22.213 1.00 0.00 O ATOM 0 H ASP A 71 -6.694 4.125 20.170 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.270 1.678 21.543 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -7.290 3.089 23.513 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.953 3.578 22.490 1.00 0.00 H new ATOM 1098 N LEU A 72 -9.730 3.432 20.505 1.00 0.00 N ATOM 1099 CA LEU A 72 -11.183 3.533 20.430 1.00 0.00 C ATOM 1100 C LEU A 72 -11.742 2.574 19.384 1.00 0.00 C ATOM 1101 O LEU A 72 -12.797 1.968 19.581 1.00 0.00 O ATOM 1102 CB LEU A 72 -11.598 4.967 20.097 1.00 0.00 C ATOM 1103 CG LEU A 72 -11.419 5.397 18.641 1.00 0.00 C ATOM 1104 CD1 LEU A 72 -12.668 5.078 17.833 1.00 0.00 C ATOM 1105 CD2 LEU A 72 -11.093 6.881 18.559 1.00 0.00 C ATOM 0 H LEU A 72 -9.234 3.942 19.774 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.592 3.260 21.403 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.647 5.092 20.365 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.025 5.646 20.728 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.584 4.839 18.217 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.522 5.391 16.799 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -12.857 4.005 17.864 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -13.521 5.609 18.256 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.969 7.169 17.515 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.906 7.457 19.000 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.170 7.081 19.103 1.00 0.00 H new ATOM 1117 N LEU A 73 -11.029 2.439 18.271 1.00 0.00 N ATOM 1118 CA LEU A 73 -11.452 1.551 17.194 1.00 0.00 C ATOM 1119 C LEU A 73 -11.622 0.122 17.700 1.00 0.00 C ATOM 1120 O LEU A 73 -12.589 -0.559 17.359 1.00 0.00 O ATOM 1121 CB LEU A 73 -10.435 1.582 16.052 1.00 0.00 C ATOM 1122 CG LEU A 73 -10.485 2.809 15.141 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -9.910 4.025 15.851 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -9.736 2.542 13.844 1.00 0.00 C ATOM 0 H LEU A 73 -10.155 2.933 18.091 1.00 0.00 H new ATOM 0 HA LEU A 73 -12.415 1.902 16.825 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.435 1.513 16.481 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -10.580 0.693 15.439 1.00 0.00 H new ATOM 0 HG LEU A 73 -11.528 3.015 14.898 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.954 4.888 15.187 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -10.490 4.229 16.751 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.873 3.830 16.125 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.782 3.426 13.208 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.695 2.309 14.067 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.194 1.699 13.327 1.00 0.00 H new ATOM 1136 N THR A 74 -10.676 -0.326 18.520 1.00 0.00 N ATOM 1137 CA THR A 74 -10.721 -1.673 19.075 1.00 0.00 C ATOM 1138 C THR A 74 -11.986 -1.887 19.896 1.00 0.00 C ATOM 1139 O THR A 74 -12.410 -3.021 20.117 1.00 0.00 O ATOM 1140 CB THR A 74 -9.493 -1.957 19.961 1.00 0.00 C ATOM 1141 OG1 THR A 74 -8.325 -1.360 19.386 1.00 0.00 O ATOM 1142 CG2 THR A 74 -9.276 -3.454 20.121 1.00 0.00 C ATOM 0 H THR A 74 -9.869 0.225 18.814 1.00 0.00 H new ATOM 0 HA THR A 74 -10.718 -2.363 18.231 1.00 0.00 H new ATOM 0 HB THR A 74 -9.675 -1.525 20.945 1.00 0.00 H new ATOM 0 HG1 THR A 74 -8.342 -0.392 19.540 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.404 -3.630 20.750 1.00 0.00 H new ATOM 0 HG22 THR A 74 -10.155 -3.901 20.585 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.114 -3.905 19.142 1.00 0.00 H new ATOM 1150 N ASN A 75 -12.587 -0.790 20.346 1.00 0.00 N ATOM 1151 CA ASN A 75 -13.806 -0.858 21.145 1.00 0.00 C ATOM 1152 C ASN A 75 -15.025 -1.091 20.257 1.00 0.00 C ATOM 1153 O ASN A 75 -15.988 -1.737 20.666 1.00 0.00 O ATOM 1154 CB ASN A 75 -13.986 0.430 21.950 1.00 0.00 C ATOM 1155 CG ASN A 75 -12.784 0.739 22.822 1.00 0.00 C ATOM 1156 OD1 ASN A 75 -12.010 -0.153 23.172 1.00 0.00 O ATOM 1157 ND2 ASN A 75 -12.621 2.009 23.177 1.00 0.00 N ATOM 0 H ASN A 75 -12.250 0.157 20.171 1.00 0.00 H new ATOM 0 HA ASN A 75 -13.714 -1.698 21.833 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -14.159 1.261 21.267 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -14.873 0.343 22.577 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.830 2.277 23.762 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -13.287 2.715 22.864 1.00 0.00 H new ATOM 1164 N MET A 76 -14.974 -0.559 19.040 1.00 0.00 N ATOM 1165 CA MET A 76 -16.073 -0.710 18.094 1.00 0.00 C ATOM 1166 C MET A 76 -15.917 -1.990 17.279 1.00 0.00 C ATOM 1167 O MET A 76 -16.890 -2.518 16.743 1.00 0.00 O ATOM 1168 CB MET A 76 -16.139 0.499 17.159 1.00 0.00 C ATOM 1169 CG MET A 76 -14.953 0.602 16.214 1.00 0.00 C ATOM 1170 SD MET A 76 -15.282 1.671 14.800 1.00 0.00 S ATOM 1171 CE MET A 76 -14.372 3.141 15.268 1.00 0.00 C ATOM 0 H MET A 76 -14.184 -0.020 18.686 1.00 0.00 H new ATOM 0 HA MET A 76 -17.002 -0.773 18.661 1.00 0.00 H new ATOM 0 HB2 MET A 76 -17.056 0.445 16.573 1.00 0.00 H new ATOM 0 HB3 MET A 76 -16.196 1.408 17.758 1.00 0.00 H new ATOM 0 HG2 MET A 76 -14.090 0.984 16.760 1.00 0.00 H new ATOM 0 HG3 MET A 76 -14.690 -0.394 15.858 1.00 0.00 H new ATOM 0 HE1 MET A 76 -14.948 4.026 14.998 1.00 0.00 H new ATOM 0 HE2 MET A 76 -14.199 3.135 16.344 1.00 0.00 H new ATOM 0 HE3 MET A 76 -13.415 3.158 14.747 1.00 0.00 H new ATOM 1181 N GLY A 77 -14.685 -2.484 17.190 1.00 0.00 N ATOM 1182 CA GLY A 77 -14.425 -3.698 16.439 1.00 0.00 C ATOM 1183 C GLY A 77 -13.156 -3.608 15.614 1.00 0.00 C ATOM 1184 O GLY A 77 -12.376 -4.559 15.558 1.00 0.00 O ATOM 0 H GLY A 77 -13.863 -2.065 17.625 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.348 -4.539 17.128 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -15.269 -3.902 15.781 1.00 0.00 H new ATOM 1188 N ILE A 78 -12.949 -2.464 14.972 1.00 0.00 N ATOM 1189 CA ILE A 78 -11.767 -2.255 14.146 1.00 0.00 C ATOM 1190 C ILE A 78 -10.494 -2.317 14.983 1.00 0.00 C ATOM 1191 O ILE A 78 -10.301 -1.518 15.900 1.00 0.00 O ATOM 1192 CB ILE A 78 -11.822 -0.899 13.416 1.00 0.00 C ATOM 1193 CG1 ILE A 78 -13.052 -0.833 12.509 1.00 0.00 C ATOM 1194 CG2 ILE A 78 -10.550 -0.679 12.611 1.00 0.00 C ATOM 1195 CD1 ILE A 78 -13.329 0.551 11.967 1.00 0.00 C ATOM 0 H ILE A 78 -13.585 -1.667 15.008 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.753 -3.056 13.407 1.00 0.00 H new ATOM 0 HB ILE A 78 -11.900 -0.105 14.159 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -12.915 -1.521 11.674 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -13.923 -1.177 13.066 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.604 0.283 12.101 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.690 -0.687 13.280 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.444 -1.475 11.874 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.215 0.523 11.332 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -13.498 1.239 12.795 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -12.474 0.890 11.382 1.00 0.00 H new ATOM 1207 N ASP A 79 -9.627 -3.271 14.661 1.00 0.00 N ATOM 1208 CA ASP A 79 -8.370 -3.437 15.381 1.00 0.00 C ATOM 1209 C ASP A 79 -7.188 -3.002 14.519 1.00 0.00 C ATOM 1210 O ASP A 79 -7.114 -3.335 13.336 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.193 -4.893 15.814 1.00 0.00 C ATOM 1212 CG ASP A 79 -7.829 -5.022 17.280 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -7.073 -4.163 17.780 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.300 -5.981 17.926 1.00 0.00 O ATOM 0 H ASP A 79 -9.772 -3.941 13.906 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.402 -2.804 16.268 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.116 -5.440 15.622 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -7.415 -5.357 15.208 1.00 0.00 H new ATOM 1219 N LEU A 80 -6.267 -2.257 15.120 1.00 0.00 N ATOM 1220 CA LEU A 80 -5.089 -1.776 14.407 1.00 0.00 C ATOM 1221 C LEU A 80 -3.935 -2.766 14.530 1.00 0.00 C ATOM 1222 O LEU A 80 -3.139 -2.925 13.605 1.00 0.00 O ATOM 1223 CB LEU A 80 -4.663 -0.410 14.949 1.00 0.00 C ATOM 1224 CG LEU A 80 -4.506 0.704 13.914 1.00 0.00 C ATOM 1225 CD1 LEU A 80 -3.804 1.906 14.526 1.00 0.00 C ATOM 1226 CD2 LEU A 80 -3.740 0.199 12.699 1.00 0.00 C ATOM 0 H LEU A 80 -6.313 -1.973 16.099 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.348 -1.678 13.353 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.397 -0.090 15.689 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.714 -0.529 15.472 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.499 1.015 13.590 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.701 2.689 13.775 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.391 2.282 15.364 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.816 1.610 14.879 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.638 1.005 11.973 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.751 -0.139 13.007 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.282 -0.631 12.246 1.00 0.00 H new ATOM 1238 N ASP A 81 -3.854 -3.432 15.677 1.00 0.00 N ATOM 1239 CA ASP A 81 -2.800 -4.410 15.921 1.00 0.00 C ATOM 1240 C ASP A 81 -2.935 -5.600 14.976 1.00 0.00 C ATOM 1241 O ASP A 81 -1.977 -6.341 14.757 1.00 0.00 O ATOM 1242 CB ASP A 81 -2.844 -4.888 17.373 1.00 0.00 C ATOM 1243 CG ASP A 81 -1.610 -4.483 18.153 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -1.501 -3.293 18.517 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -0.752 -5.356 18.402 1.00 0.00 O ATOM 0 H ASP A 81 -4.506 -3.312 16.452 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.840 -3.928 15.735 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.729 -4.479 17.860 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.943 -5.973 17.392 1.00 0.00 H new ATOM 1250 N GLU A 82 -4.129 -5.775 14.420 1.00 0.00 N ATOM 1251 CA GLU A 82 -4.389 -6.877 13.500 1.00 0.00 C ATOM 1252 C GLU A 82 -3.942 -6.521 12.085 1.00 0.00 C ATOM 1253 O GLU A 82 -3.543 -7.391 11.311 1.00 0.00 O ATOM 1254 CB GLU A 82 -5.877 -7.233 13.502 1.00 0.00 C ATOM 1255 CG GLU A 82 -6.710 -6.370 12.570 1.00 0.00 C ATOM 1256 CD GLU A 82 -8.186 -6.391 12.919 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -8.680 -7.459 13.338 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -8.846 -5.341 12.773 1.00 0.00 O ATOM 0 H GLU A 82 -4.931 -5.169 14.590 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.816 -7.741 13.837 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.992 -8.278 13.216 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.264 -7.136 14.516 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.346 -5.343 12.609 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.578 -6.716 11.545 1.00 0.00 H new ATOM 1265 N TRP A 83 -4.012 -5.236 11.755 1.00 0.00 N ATOM 1266 CA TRP A 83 -3.615 -4.764 10.433 1.00 0.00 C ATOM 1267 C TRP A 83 -2.221 -5.265 10.072 1.00 0.00 C ATOM 1268 O TRP A 83 -1.980 -5.699 8.946 1.00 0.00 O ATOM 1269 CB TRP A 83 -3.651 -3.236 10.382 1.00 0.00 C ATOM 1270 CG TRP A 83 -5.039 -2.676 10.305 1.00 0.00 C ATOM 1271 CD1 TRP A 83 -6.205 -3.337 10.569 1.00 0.00 C ATOM 1272 CD2 TRP A 83 -5.406 -1.343 9.936 1.00 0.00 C ATOM 1273 NE1 TRP A 83 -7.274 -2.493 10.387 1.00 0.00 N ATOM 1274 CE2 TRP A 83 -6.811 -1.264 9.999 1.00 0.00 C ATOM 1275 CE3 TRP A 83 -4.684 -0.206 9.560 1.00 0.00 C ATOM 1276 CZ2 TRP A 83 -7.505 -0.095 9.699 1.00 0.00 C ATOM 1277 CZ3 TRP A 83 -5.375 0.953 9.263 1.00 0.00 C ATOM 1278 CH2 TRP A 83 -6.774 1.002 9.334 1.00 0.00 C ATOM 0 H TRP A 83 -4.340 -4.503 12.384 1.00 0.00 H new ATOM 0 HA TRP A 83 -4.323 -5.161 9.705 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.155 -2.838 11.268 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.081 -2.895 9.518 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.276 -4.370 10.875 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.254 -2.742 10.520 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -3.606 -0.233 9.503 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -8.583 -0.056 9.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.827 1.837 8.971 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -7.285 1.923 9.096 1.00 0.00 H new ATOM 1289 N SER A 84 -1.306 -5.201 11.034 1.00 0.00 N ATOM 1290 CA SER A 84 0.065 -5.645 10.815 1.00 0.00 C ATOM 1291 C SER A 84 0.123 -7.158 10.630 1.00 0.00 C ATOM 1292 O SER A 84 0.923 -7.669 9.846 1.00 0.00 O ATOM 1293 CB SER A 84 0.952 -5.229 11.991 1.00 0.00 C ATOM 1294 OG SER A 84 2.192 -4.716 11.537 1.00 0.00 O ATOM 0 H SER A 84 -1.490 -4.846 11.972 1.00 0.00 H new ATOM 0 HA SER A 84 0.434 -5.171 9.905 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.440 -4.475 12.588 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.126 -6.087 12.641 1.00 0.00 H new ATOM 0 HG SER A 84 2.740 -4.456 12.307 1.00 0.00 H new ATOM 1300 N VAL A 85 -0.730 -7.871 11.359 1.00 0.00 N ATOM 1301 CA VAL A 85 -0.778 -9.326 11.275 1.00 0.00 C ATOM 1302 C VAL A 85 -2.015 -9.792 10.517 1.00 0.00 C ATOM 1303 O VAL A 85 -2.640 -10.789 10.881 1.00 0.00 O ATOM 1304 CB VAL A 85 -0.774 -9.968 12.675 1.00 0.00 C ATOM 1305 CG1 VAL A 85 0.497 -9.603 13.427 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -2.008 -9.545 13.459 1.00 0.00 C ATOM 0 H VAL A 85 -1.397 -7.464 12.015 1.00 0.00 H new ATOM 0 HA VAL A 85 0.115 -9.642 10.736 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.800 -11.051 12.559 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.482 -10.066 14.414 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.364 -9.961 12.872 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.558 -8.520 13.535 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.989 -10.008 14.446 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.016 -8.460 13.567 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.904 -9.863 12.926 1.00 0.00 H new ATOM 1316 N ALA A 86 -2.365 -9.065 9.461 1.00 0.00 N ATOM 1317 CA ALA A 86 -3.526 -9.406 8.649 1.00 0.00 C ATOM 1318 C ALA A 86 -3.110 -9.822 7.242 1.00 0.00 C ATOM 1319 O ALA A 86 -1.921 -9.912 6.936 1.00 0.00 O ATOM 1320 CB ALA A 86 -4.492 -8.232 8.590 1.00 0.00 C ATOM 0 H ALA A 86 -1.861 -8.236 9.148 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.028 -10.253 9.116 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.355 -8.501 7.980 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.824 -7.983 9.598 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.991 -7.370 8.150 1.00 0.00 H new ATOM 1326 N THR A 87 -4.097 -10.076 6.389 1.00 0.00 N ATOM 1327 CA THR A 87 -3.833 -10.485 5.015 1.00 0.00 C ATOM 1328 C THR A 87 -4.302 -9.423 4.026 1.00 0.00 C ATOM 1329 O THR A 87 -5.483 -9.356 3.686 1.00 0.00 O ATOM 1330 CB THR A 87 -4.526 -11.820 4.683 1.00 0.00 C ATOM 1331 OG1 THR A 87 -4.467 -12.697 5.814 1.00 0.00 O ATOM 1332 CG2 THR A 87 -3.869 -12.487 3.484 1.00 0.00 C ATOM 0 H THR A 87 -5.087 -10.006 6.625 1.00 0.00 H new ATOM 0 HA THR A 87 -2.754 -10.612 4.925 1.00 0.00 H new ATOM 0 HB THR A 87 -5.568 -11.612 4.438 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.911 -13.543 5.596 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.375 -13.428 3.268 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.940 -11.830 2.617 1.00 0.00 H new ATOM 0 HG23 THR A 87 -2.820 -12.682 3.706 1.00 0.00 H new ATOM 1340 N PHE A 88 -3.369 -8.596 3.567 1.00 0.00 N ATOM 1341 CA PHE A 88 -3.687 -7.537 2.616 1.00 0.00 C ATOM 1342 C PHE A 88 -3.536 -8.031 1.181 1.00 0.00 C ATOM 1343 O PHE A 88 -2.447 -8.420 0.758 1.00 0.00 O ATOM 1344 CB PHE A 88 -2.781 -6.326 2.848 1.00 0.00 C ATOM 1345 CG PHE A 88 -3.313 -5.367 3.875 1.00 0.00 C ATOM 1346 CD1 PHE A 88 -3.859 -5.834 5.060 1.00 0.00 C ATOM 1347 CD2 PHE A 88 -3.267 -4.000 3.656 1.00 0.00 C ATOM 1348 CE1 PHE A 88 -4.350 -4.954 6.006 1.00 0.00 C ATOM 1349 CE2 PHE A 88 -3.757 -3.115 4.598 1.00 0.00 C ATOM 1350 CZ PHE A 88 -4.298 -3.593 5.776 1.00 0.00 C ATOM 0 H PHE A 88 -2.387 -8.638 3.838 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.725 -7.242 2.773 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -1.797 -6.674 3.162 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -2.646 -5.797 1.904 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.901 -6.897 5.246 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.843 -3.621 2.738 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.774 -5.331 6.925 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.717 -2.052 4.413 1.00 0.00 H new ATOM 0 HZ PHE A 88 -4.679 -2.904 6.515 1.00 0.00 H new ATOM 1360 N TYR A 89 -4.636 -8.014 0.437 1.00 0.00 N ATOM 1361 CA TYR A 89 -4.628 -8.463 -0.950 1.00 0.00 C ATOM 1362 C TYR A 89 -4.614 -7.275 -1.907 1.00 0.00 C ATOM 1363 O TYR A 89 -5.470 -6.392 -1.834 1.00 0.00 O ATOM 1364 CB TYR A 89 -5.848 -9.343 -1.230 1.00 0.00 C ATOM 1365 CG TYR A 89 -6.106 -10.379 -0.160 1.00 0.00 C ATOM 1366 CD1 TYR A 89 -6.918 -10.093 0.930 1.00 0.00 C ATOM 1367 CD2 TYR A 89 -5.538 -11.644 -0.240 1.00 0.00 C ATOM 1368 CE1 TYR A 89 -7.155 -11.036 1.911 1.00 0.00 C ATOM 1369 CE2 TYR A 89 -5.771 -12.595 0.735 1.00 0.00 C ATOM 1370 CZ TYR A 89 -6.580 -12.286 1.809 1.00 0.00 C ATOM 1371 OH TYR A 89 -6.815 -13.229 2.783 1.00 0.00 O ATOM 0 H TYR A 89 -5.545 -7.694 0.771 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.722 -9.047 -1.111 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.728 -8.708 -1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.710 -9.847 -2.186 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -7.372 -9.116 1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.903 -11.889 -1.079 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.787 -10.796 2.753 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.322 -13.574 0.657 1.00 0.00 H new ATOM 0 HH TYR A 89 -6.337 -14.055 2.560 1.00 0.00 H new ATOM 1381 N LEU A 90 -3.635 -7.259 -2.805 1.00 0.00 N ATOM 1382 CA LEU A 90 -3.507 -6.180 -3.779 1.00 0.00 C ATOM 1383 C LEU A 90 -4.049 -6.608 -5.139 1.00 0.00 C ATOM 1384 O LEU A 90 -3.316 -7.141 -5.972 1.00 0.00 O ATOM 1385 CB LEU A 90 -2.043 -5.757 -3.911 1.00 0.00 C ATOM 1386 CG LEU A 90 -1.350 -5.325 -2.618 1.00 0.00 C ATOM 1387 CD1 LEU A 90 -2.279 -4.464 -1.776 1.00 0.00 C ATOM 1388 CD2 LEU A 90 -0.887 -6.541 -1.830 1.00 0.00 C ATOM 0 H LEU A 90 -2.918 -7.981 -2.879 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.093 -5.332 -3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.483 -6.588 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.986 -4.933 -4.623 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.474 -4.730 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.769 -4.166 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.561 -3.575 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.174 -5.033 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.396 -6.215 -0.913 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.747 -7.162 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.185 -7.119 -2.432 1.00 0.00 H new ATOM 1400 N PHE A 91 -5.338 -6.368 -5.359 1.00 0.00 N ATOM 1401 CA PHE A 91 -5.978 -6.727 -6.619 1.00 0.00 C ATOM 1402 C PHE A 91 -5.677 -5.689 -7.697 1.00 0.00 C ATOM 1403 O PHE A 91 -4.971 -4.711 -7.452 1.00 0.00 O ATOM 1404 CB PHE A 91 -7.491 -6.856 -6.428 1.00 0.00 C ATOM 1405 CG PHE A 91 -7.973 -8.278 -6.405 1.00 0.00 C ATOM 1406 CD1 PHE A 91 -7.926 -9.021 -5.237 1.00 0.00 C ATOM 1407 CD2 PHE A 91 -8.475 -8.871 -7.553 1.00 0.00 C ATOM 1408 CE1 PHE A 91 -8.368 -10.331 -5.214 1.00 0.00 C ATOM 1409 CE2 PHE A 91 -8.919 -10.180 -7.536 1.00 0.00 C ATOM 1410 CZ PHE A 91 -8.867 -10.910 -6.365 1.00 0.00 C ATOM 0 H PHE A 91 -5.959 -5.927 -4.681 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.576 -7.687 -6.942 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -7.774 -6.370 -5.494 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.998 -6.322 -7.232 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.540 -8.572 -4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.520 -8.304 -8.471 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -8.323 -10.901 -4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.306 -10.631 -8.438 1.00 0.00 H new ATOM 0 HZ PHE A 91 -9.216 -11.932 -6.349 1.00 0.00 H new ATOM 1420 N ASP A 92 -6.218 -5.911 -8.890 1.00 0.00 N ATOM 1421 CA ASP A 92 -6.008 -4.997 -10.006 1.00 0.00 C ATOM 1422 C ASP A 92 -7.338 -4.595 -10.636 1.00 0.00 C ATOM 1423 O ASP A 92 -8.404 -4.842 -10.072 1.00 0.00 O ATOM 1424 CB ASP A 92 -5.105 -5.641 -11.058 1.00 0.00 C ATOM 1425 CG ASP A 92 -3.937 -4.753 -11.441 1.00 0.00 C ATOM 1426 OD1 ASP A 92 -4.173 -3.573 -11.774 1.00 0.00 O ATOM 1427 OD2 ASP A 92 -2.787 -5.239 -11.407 1.00 0.00 O ATOM 0 H ASP A 92 -6.805 -6.716 -9.109 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.522 -4.100 -9.622 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -4.727 -6.589 -10.676 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.693 -5.867 -11.948 1.00 0.00 H new ATOM 1432 N ASP A 93 -7.267 -3.974 -11.809 1.00 0.00 N ATOM 1433 CA ASP A 93 -8.465 -3.538 -12.516 1.00 0.00 C ATOM 1434 C ASP A 93 -9.021 -4.660 -13.387 1.00 0.00 C ATOM 1435 O ASP A 93 -10.032 -4.488 -14.068 1.00 0.00 O ATOM 1436 CB ASP A 93 -8.157 -2.312 -13.377 1.00 0.00 C ATOM 1437 CG ASP A 93 -7.154 -1.382 -12.723 1.00 0.00 C ATOM 1438 OD1 ASP A 93 -7.552 -0.624 -11.814 1.00 0.00 O ATOM 1439 OD2 ASP A 93 -5.970 -1.414 -13.120 1.00 0.00 O ATOM 0 H ASP A 93 -6.393 -3.762 -12.290 1.00 0.00 H new ATOM 0 HA ASP A 93 -9.218 -3.272 -11.774 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.770 -2.638 -14.343 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -9.081 -1.767 -13.571 1.00 0.00 H new ATOM 1444 N ALA A 94 -8.353 -5.808 -13.361 1.00 0.00 N ATOM 1445 CA ALA A 94 -8.780 -6.959 -14.148 1.00 0.00 C ATOM 1446 C ALA A 94 -9.197 -8.116 -13.246 1.00 0.00 C ATOM 1447 O ALA A 94 -9.649 -9.156 -13.723 1.00 0.00 O ATOM 1448 CB ALA A 94 -7.669 -7.396 -15.091 1.00 0.00 C ATOM 0 H ALA A 94 -7.514 -5.966 -12.803 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.647 -6.662 -14.739 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.002 -8.256 -15.672 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.421 -6.577 -15.766 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -6.787 -7.669 -14.512 1.00 0.00 H new ATOM 1454 N GLY A 95 -9.040 -7.928 -11.939 1.00 0.00 N ATOM 1455 CA GLY A 95 -9.404 -8.965 -10.992 1.00 0.00 C ATOM 1456 C GLY A 95 -8.263 -9.924 -10.715 1.00 0.00 C ATOM 1457 O GLY A 95 -8.482 -11.120 -10.525 1.00 0.00 O ATOM 0 H GLY A 95 -8.667 -7.076 -11.520 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.722 -8.504 -10.057 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.257 -9.522 -11.378 1.00 0.00 H new ATOM 1461 N GLU A 96 -7.042 -9.399 -10.695 1.00 0.00 N ATOM 1462 CA GLU A 96 -5.863 -10.218 -10.442 1.00 0.00 C ATOM 1463 C GLU A 96 -4.948 -9.553 -9.418 1.00 0.00 C ATOM 1464 O GLU A 96 -4.986 -8.337 -9.234 1.00 0.00 O ATOM 1465 CB GLU A 96 -5.097 -10.463 -11.743 1.00 0.00 C ATOM 1466 CG GLU A 96 -4.710 -9.187 -12.472 1.00 0.00 C ATOM 1467 CD GLU A 96 -4.475 -9.409 -13.953 1.00 0.00 C ATOM 1468 OE1 GLU A 96 -4.836 -10.494 -14.454 1.00 0.00 O ATOM 1469 OE2 GLU A 96 -3.930 -8.498 -14.611 1.00 0.00 O ATOM 0 H GLU A 96 -6.844 -8.411 -10.851 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.196 -11.174 -10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.195 -11.033 -11.521 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.708 -11.078 -12.404 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.497 -8.445 -12.340 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.806 -8.776 -12.022 1.00 0.00 H new ATOM 1476 N GLU A 97 -4.127 -10.361 -8.754 1.00 0.00 N ATOM 1477 CA GLU A 97 -3.203 -9.852 -7.747 1.00 0.00 C ATOM 1478 C GLU A 97 -1.857 -9.498 -8.373 1.00 0.00 C ATOM 1479 O GLU A 97 -0.854 -10.168 -8.131 1.00 0.00 O ATOM 1480 CB GLU A 97 -3.006 -10.884 -6.635 1.00 0.00 C ATOM 1481 CG GLU A 97 -2.434 -10.298 -5.355 1.00 0.00 C ATOM 1482 CD GLU A 97 -2.937 -11.008 -4.113 1.00 0.00 C ATOM 1483 OE1 GLU A 97 -2.537 -12.171 -3.892 1.00 0.00 O ATOM 1484 OE2 GLU A 97 -3.729 -10.403 -3.362 1.00 0.00 O ATOM 0 H GLU A 97 -4.083 -11.370 -8.895 1.00 0.00 H new ATOM 0 HA GLU A 97 -3.634 -8.947 -7.320 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -3.964 -11.354 -6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.341 -11.670 -6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -1.346 -10.357 -5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.694 -9.241 -5.295 1.00 0.00 H new ATOM 1491 N ASN A 98 -1.845 -8.441 -9.179 1.00 0.00 N ATOM 1492 CA ASN A 98 -0.624 -7.999 -9.841 1.00 0.00 C ATOM 1493 C ASN A 98 -0.271 -6.571 -9.434 1.00 0.00 C ATOM 1494 O ASN A 98 -1.120 -5.679 -9.462 1.00 0.00 O ATOM 1495 CB ASN A 98 -0.783 -8.084 -11.360 1.00 0.00 C ATOM 1496 CG ASN A 98 -1.208 -9.465 -11.820 1.00 0.00 C ATOM 1497 OD1 ASN A 98 -1.109 -10.438 -11.073 1.00 0.00 O ATOM 1498 ND2 ASN A 98 -1.683 -9.556 -13.057 1.00 0.00 N ATOM 0 H ASN A 98 -2.667 -7.875 -9.389 1.00 0.00 H new ATOM 0 HA ASN A 98 0.187 -8.658 -9.530 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -1.521 -7.352 -11.687 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.161 -7.820 -11.837 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -1.984 -10.459 -13.423 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.747 -8.722 -13.641 1.00 0.00 H new ATOM 1505 N PHE A 99 0.986 -6.362 -9.058 1.00 0.00 N ATOM 1506 CA PHE A 99 1.451 -5.043 -8.645 1.00 0.00 C ATOM 1507 C PHE A 99 1.655 -4.135 -9.855 1.00 0.00 C ATOM 1508 O PHE A 99 2.748 -3.614 -10.076 1.00 0.00 O ATOM 1509 CB PHE A 99 2.757 -5.163 -7.857 1.00 0.00 C ATOM 1510 CG PHE A 99 3.967 -5.346 -8.727 1.00 0.00 C ATOM 1511 CD1 PHE A 99 3.938 -6.219 -9.803 1.00 0.00 C ATOM 1512 CD2 PHE A 99 5.135 -4.646 -8.469 1.00 0.00 C ATOM 1513 CE1 PHE A 99 5.051 -6.390 -10.604 1.00 0.00 C ATOM 1514 CE2 PHE A 99 6.251 -4.813 -9.267 1.00 0.00 C ATOM 1515 CZ PHE A 99 6.208 -5.685 -10.337 1.00 0.00 C ATOM 0 H PHE A 99 1.701 -7.089 -9.031 1.00 0.00 H new ATOM 0 HA PHE A 99 0.688 -4.600 -8.005 1.00 0.00 H new ATOM 0 HB2 PHE A 99 2.889 -4.268 -7.249 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.682 -6.007 -7.171 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.035 -6.772 -10.018 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.174 -3.962 -7.634 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.016 -7.075 -11.438 1.00 0.00 H new ATOM 0 HE2 PHE A 99 7.155 -4.262 -9.054 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.078 -5.815 -10.964 1.00 0.00 H new ATOM 1525 N SER A 100 0.595 -3.952 -10.635 1.00 0.00 N ATOM 1526 CA SER A 100 0.658 -3.111 -11.825 1.00 0.00 C ATOM 1527 C SER A 100 0.598 -1.634 -11.450 1.00 0.00 C ATOM 1528 O SER A 100 0.706 -1.274 -10.278 1.00 0.00 O ATOM 1529 CB SER A 100 -0.487 -3.455 -12.779 1.00 0.00 C ATOM 1530 OG SER A 100 -0.264 -2.901 -14.064 1.00 0.00 O ATOM 0 H SER A 100 -0.318 -4.374 -10.465 1.00 0.00 H new ATOM 0 HA SER A 100 1.607 -3.302 -12.325 1.00 0.00 H new ATOM 0 HB2 SER A 100 -0.586 -4.538 -12.858 1.00 0.00 H new ATOM 0 HB3 SER A 100 -1.427 -3.078 -12.375 1.00 0.00 H new ATOM 0 HG SER A 100 -1.009 -3.137 -14.656 1.00 0.00 H new ATOM 1536 N SER A 101 0.423 -0.781 -12.456 1.00 0.00 N ATOM 1537 CA SER A 101 0.352 0.658 -12.234 1.00 0.00 C ATOM 1538 C SER A 101 -0.653 0.989 -11.135 1.00 0.00 C ATOM 1539 O SER A 101 -0.489 1.964 -10.401 1.00 0.00 O ATOM 1540 CB SER A 101 -0.035 1.377 -13.528 1.00 0.00 C ATOM 1541 OG SER A 101 1.035 1.366 -14.457 1.00 0.00 O ATOM 0 H SER A 101 0.328 -1.062 -13.432 1.00 0.00 H new ATOM 0 HA SER A 101 1.337 1.001 -11.917 1.00 0.00 H new ATOM 0 HB2 SER A 101 -0.908 0.895 -13.968 1.00 0.00 H new ATOM 0 HB3 SER A 101 -0.317 2.406 -13.306 1.00 0.00 H new ATOM 0 HG SER A 101 0.762 1.830 -15.276 1.00 0.00 H new ATOM 1547 N ARG A 102 -1.695 0.170 -11.028 1.00 0.00 N ATOM 1548 CA ARG A 102 -2.728 0.376 -10.020 1.00 0.00 C ATOM 1549 C ARG A 102 -3.052 -0.930 -9.300 1.00 0.00 C ATOM 1550 O ARG A 102 -3.285 -1.959 -9.934 1.00 0.00 O ATOM 1551 CB ARG A 102 -3.994 0.942 -10.665 1.00 0.00 C ATOM 1552 CG ARG A 102 -5.149 1.113 -9.692 1.00 0.00 C ATOM 1553 CD ARG A 102 -4.827 2.143 -8.620 1.00 0.00 C ATOM 1554 NE ARG A 102 -5.991 2.952 -8.270 1.00 0.00 N ATOM 1555 CZ ARG A 102 -6.421 3.975 -9.000 1.00 0.00 C ATOM 1556 NH1 ARG A 102 -5.786 4.312 -10.115 1.00 0.00 N ATOM 1557 NH2 ARG A 102 -7.488 4.663 -8.616 1.00 0.00 N ATOM 0 H ARG A 102 -1.846 -0.642 -11.627 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.350 1.091 -9.289 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.762 1.908 -11.114 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -4.306 0.281 -11.474 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.042 1.420 -10.236 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.375 0.156 -9.222 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -4.458 1.635 -7.729 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.026 2.793 -8.971 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.502 2.719 -7.418 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.965 3.785 -10.414 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.118 5.098 -10.674 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -7.979 4.407 -7.759 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -7.817 5.448 -9.177 1.00 0.00 H new ATOM 1571 N MET A 103 -3.063 -0.880 -7.972 1.00 0.00 N ATOM 1572 CA MET A 103 -3.359 -2.058 -7.165 1.00 0.00 C ATOM 1573 C MET A 103 -4.374 -1.730 -6.074 1.00 0.00 C ATOM 1574 O MET A 103 -4.104 -0.921 -5.186 1.00 0.00 O ATOM 1575 CB MET A 103 -2.077 -2.608 -6.537 1.00 0.00 C ATOM 1576 CG MET A 103 -1.345 -1.598 -5.668 1.00 0.00 C ATOM 1577 SD MET A 103 0.384 -2.035 -5.402 1.00 0.00 S ATOM 1578 CE MET A 103 0.452 -2.076 -3.613 1.00 0.00 C ATOM 0 H MET A 103 -2.870 -0.036 -7.432 1.00 0.00 H new ATOM 0 HA MET A 103 -3.789 -2.817 -7.819 1.00 0.00 H new ATOM 0 HB2 MET A 103 -2.323 -3.483 -5.935 1.00 0.00 H new ATOM 0 HB3 MET A 103 -1.409 -2.945 -7.330 1.00 0.00 H new ATOM 0 HG2 MET A 103 -1.399 -0.615 -6.136 1.00 0.00 H new ATOM 0 HG3 MET A 103 -1.849 -1.521 -4.704 1.00 0.00 H new ATOM 0 HE1 MET A 103 1.039 -2.936 -3.291 1.00 0.00 H new ATOM 0 HE2 MET A 103 0.917 -1.161 -3.246 1.00 0.00 H new ATOM 0 HE3 MET A 103 -0.559 -2.155 -3.212 1.00 0.00 H new ATOM 1588 N TYR A 104 -5.540 -2.362 -6.148 1.00 0.00 N ATOM 1589 CA TYR A 104 -6.595 -2.135 -5.168 1.00 0.00 C ATOM 1590 C TYR A 104 -6.329 -2.922 -3.888 1.00 0.00 C ATOM 1591 O TYR A 104 -5.944 -4.091 -3.934 1.00 0.00 O ATOM 1592 CB TYR A 104 -7.954 -2.529 -5.749 1.00 0.00 C ATOM 1593 CG TYR A 104 -8.519 -1.509 -6.711 1.00 0.00 C ATOM 1594 CD1 TYR A 104 -8.700 -0.186 -6.325 1.00 0.00 C ATOM 1595 CD2 TYR A 104 -8.873 -1.867 -8.006 1.00 0.00 C ATOM 1596 CE1 TYR A 104 -9.217 0.749 -7.200 1.00 0.00 C ATOM 1597 CE2 TYR A 104 -9.390 -0.938 -8.888 1.00 0.00 C ATOM 1598 CZ TYR A 104 -9.560 0.369 -8.481 1.00 0.00 C ATOM 1599 OH TYR A 104 -10.075 1.297 -9.356 1.00 0.00 O ATOM 0 H TYR A 104 -5.778 -3.035 -6.876 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.606 -1.073 -4.924 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -7.857 -3.486 -6.262 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -8.660 -2.676 -4.932 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -8.432 0.116 -5.323 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -8.742 -2.889 -8.329 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.352 1.773 -6.883 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -9.660 -1.233 -9.891 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.263 0.867 -10.216 1.00 0.00 H new ATOM 1609 N CYS A 105 -6.539 -2.274 -2.748 1.00 0.00 N ATOM 1610 CA CYS A 105 -6.322 -2.912 -1.454 1.00 0.00 C ATOM 1611 C CYS A 105 -7.616 -3.523 -0.926 1.00 0.00 C ATOM 1612 O CYS A 105 -8.374 -2.871 -0.207 1.00 0.00 O ATOM 1613 CB CYS A 105 -5.774 -1.899 -0.448 1.00 0.00 C ATOM 1614 SG CYS A 105 -4.041 -2.162 -0.005 1.00 0.00 S ATOM 0 H CYS A 105 -6.859 -1.307 -2.693 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.592 -3.711 -1.588 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -5.884 -0.897 -0.862 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -6.379 -1.938 0.458 1.00 0.00 H new ATOM 0 HG CYS A 105 -3.669 -1.255 0.848 1.00 0.00 H new ATOM 1620 N SER A 106 -7.864 -4.777 -1.289 1.00 0.00 N ATOM 1621 CA SER A 106 -9.069 -5.474 -0.857 1.00 0.00 C ATOM 1622 C SER A 106 -8.851 -6.150 0.494 1.00 0.00 C ATOM 1623 O SER A 106 -7.893 -6.902 0.677 1.00 0.00 O ATOM 1624 CB SER A 106 -9.483 -6.515 -1.899 1.00 0.00 C ATOM 1625 OG SER A 106 -8.367 -6.956 -2.652 1.00 0.00 O ATOM 0 H SER A 106 -7.246 -5.331 -1.882 1.00 0.00 H new ATOM 0 HA SER A 106 -9.866 -4.738 -0.752 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.949 -7.366 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 106 -10.230 -6.087 -2.567 1.00 0.00 H new ATOM 0 HG SER A 106 -8.161 -6.297 -3.348 1.00 0.00 H new ATOM 1631 N PHE A 107 -9.745 -5.875 1.437 1.00 0.00 N ATOM 1632 CA PHE A 107 -9.651 -6.454 2.772 1.00 0.00 C ATOM 1633 C PHE A 107 -10.007 -7.938 2.747 1.00 0.00 C ATOM 1634 O PHE A 107 -9.810 -8.651 3.731 1.00 0.00 O ATOM 1635 CB PHE A 107 -10.576 -5.713 3.739 1.00 0.00 C ATOM 1636 CG PHE A 107 -12.033 -5.999 3.514 1.00 0.00 C ATOM 1637 CD1 PHE A 107 -12.777 -5.229 2.635 1.00 0.00 C ATOM 1638 CD2 PHE A 107 -12.660 -7.039 4.184 1.00 0.00 C ATOM 1639 CE1 PHE A 107 -14.118 -5.491 2.425 1.00 0.00 C ATOM 1640 CE2 PHE A 107 -14.000 -7.305 3.978 1.00 0.00 C ATOM 1641 CZ PHE A 107 -14.730 -6.529 3.098 1.00 0.00 C ATOM 0 H PHE A 107 -10.543 -5.255 1.302 1.00 0.00 H new ATOM 0 HA PHE A 107 -8.621 -6.350 3.114 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -10.314 -5.987 4.761 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -10.405 -4.641 3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -12.304 -4.414 2.107 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -12.095 -7.648 4.874 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -14.686 -4.884 1.735 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -14.477 -8.119 4.504 1.00 0.00 H new ATOM 0 HZ PHE A 107 -15.778 -6.734 2.937 1.00 0.00 H new ATOM 1651 N TYR A 108 -10.533 -8.395 1.617 1.00 0.00 N ATOM 1652 CA TYR A 108 -10.920 -9.793 1.464 1.00 0.00 C ATOM 1653 C TYR A 108 -10.032 -10.495 0.441 1.00 0.00 C ATOM 1654 O TYR A 108 -9.457 -9.872 -0.452 1.00 0.00 O ATOM 1655 CB TYR A 108 -12.385 -9.894 1.038 1.00 0.00 C ATOM 1656 CG TYR A 108 -12.654 -9.345 -0.345 1.00 0.00 C ATOM 1657 CD1 TYR A 108 -12.748 -7.976 -0.564 1.00 0.00 C ATOM 1658 CD2 TYR A 108 -12.812 -10.194 -1.433 1.00 0.00 C ATOM 1659 CE1 TYR A 108 -12.994 -7.470 -1.825 1.00 0.00 C ATOM 1660 CE2 TYR A 108 -13.057 -9.697 -2.698 1.00 0.00 C ATOM 1661 CZ TYR A 108 -13.148 -8.334 -2.889 1.00 0.00 C ATOM 1662 OH TYR A 108 -13.392 -7.833 -4.147 1.00 0.00 O ATOM 0 H TYR A 108 -10.702 -7.818 0.793 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.794 -10.286 2.428 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.693 -10.939 1.071 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.002 -9.357 1.759 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.627 -7.296 0.266 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -12.742 -11.262 -1.287 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -13.065 -6.403 -1.977 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -13.177 -10.372 -3.533 1.00 0.00 H new ATOM 0 HH TYR A 108 -13.474 -8.573 -4.784 1.00 0.00 H new ATOM 1672 N PRO A 109 -9.916 -11.825 0.573 1.00 0.00 N ATOM 1673 CA PRO A 109 -9.101 -12.642 -0.330 1.00 0.00 C ATOM 1674 C PRO A 109 -9.702 -12.735 -1.729 1.00 0.00 C ATOM 1675 O PRO A 109 -10.853 -12.366 -1.962 1.00 0.00 O ATOM 1676 CB PRO A 109 -9.098 -14.017 0.342 1.00 0.00 C ATOM 1677 CG PRO A 109 -10.347 -14.046 1.153 1.00 0.00 C ATOM 1678 CD PRO A 109 -10.574 -12.633 1.614 1.00 0.00 C ATOM 0 HA PRO A 109 -8.106 -12.220 -0.475 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -9.087 -14.818 -0.397 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.216 -14.149 0.969 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -11.189 -14.403 0.560 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -10.245 -14.722 2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.636 -12.401 1.691 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -10.137 -12.456 2.597 1.00 0.00 H new ATOM 1686 N PRO A 110 -8.906 -13.239 -2.683 1.00 0.00 N ATOM 1687 CA PRO A 110 -9.339 -13.393 -4.075 1.00 0.00 C ATOM 1688 C PRO A 110 -10.390 -14.485 -4.239 1.00 0.00 C ATOM 1689 O PRO A 110 -11.422 -14.276 -4.877 1.00 0.00 O ATOM 1690 CB PRO A 110 -8.050 -13.778 -4.807 1.00 0.00 C ATOM 1691 CG PRO A 110 -7.195 -14.408 -3.762 1.00 0.00 C ATOM 1692 CD PRO A 110 -7.522 -13.699 -2.477 1.00 0.00 C ATOM 0 HA PRO A 110 -9.809 -12.487 -4.457 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -8.251 -14.470 -5.625 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -7.565 -12.904 -5.241 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.400 -15.476 -3.682 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -6.138 -14.304 -4.007 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.444 -14.366 -1.619 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.844 -12.865 -2.295 1.00 0.00 H new ATOM 1700 N ASP A 111 -10.123 -15.649 -3.657 1.00 0.00 N ATOM 1701 CA ASP A 111 -11.048 -16.774 -3.737 1.00 0.00 C ATOM 1702 C ASP A 111 -10.502 -17.981 -2.981 1.00 0.00 C ATOM 1703 O ASP A 111 -11.259 -18.750 -2.391 1.00 0.00 O ATOM 1704 CB ASP A 111 -11.307 -17.146 -5.198 1.00 0.00 C ATOM 1705 CG ASP A 111 -12.749 -16.916 -5.606 1.00 0.00 C ATOM 1706 OD1 ASP A 111 -13.646 -17.521 -4.983 1.00 0.00 O ATOM 1707 OD2 ASP A 111 -12.980 -16.130 -6.549 1.00 0.00 O ATOM 0 H ASP A 111 -9.274 -15.838 -3.125 1.00 0.00 H new ATOM 0 HA ASP A 111 -11.988 -16.473 -3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -10.652 -16.558 -5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -11.051 -18.194 -5.354 1.00 0.00 H new ATOM 1712 N GLU A 112 -9.182 -18.140 -3.004 1.00 0.00 N ATOM 1713 CA GLU A 112 -8.535 -19.255 -2.322 1.00 0.00 C ATOM 1714 C GLU A 112 -8.987 -19.338 -0.867 1.00 0.00 C ATOM 1715 O GLU A 112 -9.149 -20.427 -0.318 1.00 0.00 O ATOM 1716 CB GLU A 112 -7.014 -19.109 -2.388 1.00 0.00 C ATOM 1717 CG GLU A 112 -6.344 -20.124 -3.300 1.00 0.00 C ATOM 1718 CD GLU A 112 -6.050 -19.565 -4.679 1.00 0.00 C ATOM 1719 OE1 GLU A 112 -5.198 -18.659 -4.783 1.00 0.00 O ATOM 1720 OE2 GLU A 112 -6.674 -20.036 -5.653 1.00 0.00 O ATOM 0 H GLU A 112 -8.540 -17.511 -3.487 1.00 0.00 H new ATOM 0 HA GLU A 112 -8.826 -20.176 -2.828 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -6.768 -18.105 -2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -6.604 -19.209 -1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.413 -20.460 -2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.986 -21.000 -3.396 1.00 0.00 H new TER 1727 GLU A 112