USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 749 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 95 SER OG : rot -82:sc= 1.15 USER MOD Set 1.2: A 98 GLN : amide:sc= 1.67 K(o=2.8,f=-1.9!) USER MOD Set 2.1: A 8 THR OG1 : rot -50:sc= 1.49 USER MOD Set 2.2: A 11 SER OG : rot 107:sc= 2.65 USER MOD Single : A 3 LYS NZ :NH3+ -166:sc= -0.108 (180deg=-0.509) USER MOD Single : A 6 HIS : no HE2:sc= -0.239 K(o=-0.24,f=-1.1) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0926 USER MOD Single : A 18 LYS NZ :NH3+ -168:sc=-0.00277 (180deg=-0.119) USER MOD Single : A 36 LYS NZ :NH3+ 130:sc= 0.73 (180deg=0.455) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 1.1 K(o=1.1,f=-0.0029) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 81:sc= 0.725 USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.423) USER MOD Single : A 59 ASN : amide:sc= 1.55 K(o=1.5,f=-7.3!) USER MOD Single : A 62 GLN : amide:sc= 1.09 K(o=1.1,f=-0.3) USER MOD Single : A 63 ASN : amide:sc= 1.23 K(o=1.2,f=-4.6!) USER MOD Single : A 66 THR OG1 : rot -47:sc= 1.3 USER MOD Single : A 69 LYS NZ :NH3+ 164:sc= 0.664 (180deg=0.524) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 17:sc= 0.686 USER MOD Single : A 90 LYS NZ :NH3+ -173:sc= 1.02 (180deg=0.974) USER MOD Single : A 96 LYS NZ :NH3+ 168:sc= 0.734 (180deg=0.0538) USER MOD Single : A 100 LYS NZ :NH3+ -175:sc= 1.01 (180deg=0.965) USER MOD Single : A 106 ASN : amide:sc= 0.841 K(o=0.84,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 3 4.071 -9.094 0.884 1.00 0.00 N ATOM 25 CA LYS A 3 2.892 -8.956 1.726 1.00 0.00 C ATOM 26 C LYS A 3 1.925 -8.042 0.965 1.00 0.00 C ATOM 27 O LYS A 3 1.296 -7.164 1.553 1.00 0.00 O ATOM 28 CB LYS A 3 3.295 -8.323 3.065 1.00 0.00 C ATOM 29 CG LYS A 3 4.286 -9.170 3.873 1.00 0.00 C ATOM 30 CD LYS A 3 5.054 -8.338 4.915 1.00 0.00 C ATOM 31 CE LYS A 3 4.178 -7.721 6.016 1.00 0.00 C ATOM 32 NZ LYS A 3 3.477 -6.498 5.580 1.00 0.00 N ATOM 0 HA LYS A 3 2.427 -9.918 1.939 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.736 -7.344 2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.399 -8.158 3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.747 -9.972 4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.996 -9.641 3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.808 -8.972 5.382 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.585 -7.537 4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.443 -8.457 6.343 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.801 -7.487 6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.099 -6.000 6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.143 -5.877 5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.695 -6.754 4.944 1.00 0.00 H new ATOM 46 N ILE A 4 1.859 -8.210 -0.360 1.00 0.00 N ATOM 47 CA ILE A 4 1.083 -7.352 -1.236 1.00 0.00 C ATOM 48 C ILE A 4 -0.272 -7.978 -1.549 1.00 0.00 C ATOM 49 O ILE A 4 -0.375 -9.191 -1.723 1.00 0.00 O ATOM 50 CB ILE A 4 1.888 -7.050 -2.507 1.00 0.00 C ATOM 51 CG1 ILE A 4 3.238 -6.430 -2.104 1.00 0.00 C ATOM 52 CG2 ILE A 4 1.069 -6.112 -3.393 1.00 0.00 C ATOM 53 CD1 ILE A 4 4.039 -5.922 -3.297 1.00 0.00 C ATOM 0 H ILE A 4 2.351 -8.956 -0.851 1.00 0.00 H new ATOM 0 HA ILE A 4 0.882 -6.407 -0.731 1.00 0.00 H new ATOM 0 HB ILE A 4 2.091 -7.959 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.061 -5.605 -1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.827 -7.173 -1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.629 -5.888 -4.301 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.126 -6.591 -3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.867 -5.186 -2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.980 -5.496 -2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.244 -6.749 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.466 -5.156 -3.820 1.00 0.00 H new ATOM 65 N ILE A 5 -1.304 -7.137 -1.625 1.00 0.00 N ATOM 66 CA ILE A 5 -2.665 -7.584 -1.892 1.00 0.00 C ATOM 67 C ILE A 5 -2.962 -7.557 -3.386 1.00 0.00 C ATOM 68 O ILE A 5 -2.955 -6.507 -4.022 1.00 0.00 O ATOM 69 CB ILE A 5 -3.685 -6.774 -1.070 1.00 0.00 C ATOM 70 CG1 ILE A 5 -3.267 -6.561 0.399 1.00 0.00 C ATOM 71 CG2 ILE A 5 -5.067 -7.440 -1.134 1.00 0.00 C ATOM 72 CD1 ILE A 5 -2.995 -7.852 1.180 1.00 0.00 C ATOM 0 H ILE A 5 -1.217 -6.128 -1.503 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.759 -8.621 -1.570 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.725 -5.784 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.370 -5.943 0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.052 -6.002 0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.779 -6.858 -0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.401 -7.486 -2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.004 -8.450 -0.728 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.708 -7.605 2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.896 -8.465 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.188 -8.405 0.700 1.00 0.00 H new ATOM 84 N HIS A 6 -3.224 -8.737 -3.942 1.00 0.00 N ATOM 85 CA HIS A 6 -3.522 -8.935 -5.345 1.00 0.00 C ATOM 86 C HIS A 6 -5.004 -8.653 -5.581 1.00 0.00 C ATOM 87 O HIS A 6 -5.856 -9.471 -5.238 1.00 0.00 O ATOM 88 CB HIS A 6 -3.051 -10.344 -5.715 1.00 0.00 C ATOM 89 CG HIS A 6 -1.550 -10.434 -5.559 1.00 0.00 C ATOM 90 ND1 HIS A 6 -0.843 -10.965 -4.489 1.00 0.00 N ATOM 91 CD2 HIS A 6 -0.691 -9.629 -6.246 1.00 0.00 C ATOM 92 CE1 HIS A 6 0.426 -10.518 -4.577 1.00 0.00 C ATOM 93 NE2 HIS A 6 0.543 -9.727 -5.651 1.00 0.00 N ATOM 0 H HIS A 6 -3.233 -9.605 -3.406 1.00 0.00 H new ATOM 0 HA HIS A 6 -2.996 -8.245 -6.005 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -3.538 -11.081 -5.076 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -3.335 -10.575 -6.742 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -1.216 -11.582 -3.767 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -0.937 -9.022 -7.105 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.223 -10.760 -3.889 1.00 0.00 H new ATOM 102 N LEU A 7 -5.303 -7.470 -6.123 1.00 0.00 N ATOM 103 CA LEU A 7 -6.657 -6.991 -6.332 1.00 0.00 C ATOM 104 C LEU A 7 -7.282 -7.520 -7.616 1.00 0.00 C ATOM 105 O LEU A 7 -6.586 -7.946 -8.539 1.00 0.00 O ATOM 106 CB LEU A 7 -6.626 -5.463 -6.467 1.00 0.00 C ATOM 107 CG LEU A 7 -5.910 -4.702 -5.349 1.00 0.00 C ATOM 108 CD1 LEU A 7 -6.162 -3.206 -5.554 1.00 0.00 C ATOM 109 CD2 LEU A 7 -6.449 -5.095 -3.980 1.00 0.00 C ATOM 0 H LEU A 7 -4.590 -6.810 -6.433 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.244 -7.336 -5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.147 -5.212 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.653 -5.103 -6.524 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.847 -4.941 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.661 -2.641 -4.768 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.772 -2.901 -6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.233 -3.009 -5.515 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.920 -4.537 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.513 -4.866 -3.929 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.300 -6.163 -3.823 1.00 0.00 H new ATOM 121 N THR A 8 -8.606 -7.377 -7.696 1.00 0.00 N ATOM 122 CA THR A 8 -9.397 -7.616 -8.885 1.00 0.00 C ATOM 123 C THR A 8 -10.319 -6.406 -9.025 1.00 0.00 C ATOM 124 O THR A 8 -10.545 -5.705 -8.035 1.00 0.00 O ATOM 125 CB THR A 8 -10.224 -8.900 -8.762 1.00 0.00 C ATOM 126 OG1 THR A 8 -11.157 -8.772 -7.705 1.00 0.00 O ATOM 127 CG2 THR A 8 -9.340 -10.126 -8.519 1.00 0.00 C ATOM 0 H THR A 8 -9.170 -7.080 -6.899 1.00 0.00 H new ATOM 0 HA THR A 8 -8.755 -7.744 -9.756 1.00 0.00 H new ATOM 0 HB THR A 8 -10.748 -9.046 -9.706 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.696 -8.460 -6.898 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.965 -11.015 -8.438 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.646 -10.245 -9.351 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.778 -9.992 -7.595 1.00 0.00 H new ATOM 135 N ASP A 9 -10.875 -6.157 -10.212 1.00 0.00 N ATOM 136 CA ASP A 9 -11.810 -5.050 -10.390 1.00 0.00 C ATOM 137 C ASP A 9 -12.964 -5.191 -9.393 1.00 0.00 C ATOM 138 O ASP A 9 -13.366 -4.228 -8.745 1.00 0.00 O ATOM 139 CB ASP A 9 -12.348 -5.015 -11.824 1.00 0.00 C ATOM 140 CG ASP A 9 -13.230 -3.788 -12.034 1.00 0.00 C ATOM 141 OD1 ASP A 9 -12.652 -2.681 -12.109 1.00 0.00 O ATOM 142 OD2 ASP A 9 -14.463 -3.975 -12.111 1.00 0.00 O ATOM 0 H ASP A 9 -10.695 -6.702 -11.055 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.284 -4.113 -10.205 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -11.518 -4.998 -12.530 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -12.920 -5.920 -12.026 1.00 0.00 H new ATOM 147 N ASP A 10 -13.470 -6.419 -9.271 1.00 0.00 N ATOM 148 CA ASP A 10 -14.561 -6.784 -8.380 1.00 0.00 C ATOM 149 C ASP A 10 -14.211 -6.502 -6.919 1.00 0.00 C ATOM 150 O ASP A 10 -15.012 -5.920 -6.192 1.00 0.00 O ATOM 151 CB ASP A 10 -14.899 -8.271 -8.561 1.00 0.00 C ATOM 152 CG ASP A 10 -15.256 -8.609 -10.004 1.00 0.00 C ATOM 153 OD1 ASP A 10 -14.305 -8.683 -10.815 1.00 0.00 O ATOM 154 OD2 ASP A 10 -16.466 -8.779 -10.272 1.00 0.00 O ATOM 0 H ASP A 10 -13.117 -7.210 -9.810 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.428 -6.175 -8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.048 -8.876 -8.248 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -15.734 -8.534 -7.911 1.00 0.00 H new ATOM 159 N SER A 11 -13.024 -6.926 -6.470 1.00 0.00 N ATOM 160 CA SER A 11 -12.638 -6.774 -5.072 1.00 0.00 C ATOM 161 C SER A 11 -12.178 -5.349 -4.753 1.00 0.00 C ATOM 162 O SER A 11 -12.195 -4.950 -3.588 1.00 0.00 O ATOM 163 CB SER A 11 -11.576 -7.821 -4.719 1.00 0.00 C ATOM 164 OG SER A 11 -10.348 -7.571 -5.388 1.00 0.00 O ATOM 0 H SER A 11 -12.320 -7.375 -7.056 1.00 0.00 H new ATOM 0 HA SER A 11 -13.514 -6.946 -4.447 1.00 0.00 H new ATOM 0 HB2 SER A 11 -11.410 -7.822 -3.642 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.940 -8.813 -4.986 1.00 0.00 H new ATOM 0 HG SER A 11 -9.691 -7.226 -4.748 1.00 0.00 H new ATOM 170 N PHE A 12 -11.760 -4.596 -5.775 1.00 0.00 N ATOM 171 CA PHE A 12 -11.271 -3.229 -5.690 1.00 0.00 C ATOM 172 C PHE A 12 -12.022 -2.369 -4.673 1.00 0.00 C ATOM 173 O PHE A 12 -11.399 -1.735 -3.829 1.00 0.00 O ATOM 174 CB PHE A 12 -11.334 -2.570 -7.072 1.00 0.00 C ATOM 175 CG PHE A 12 -10.480 -1.328 -7.177 1.00 0.00 C ATOM 176 CD1 PHE A 12 -9.123 -1.464 -7.514 1.00 0.00 C ATOM 177 CD2 PHE A 12 -11.000 -0.059 -6.863 1.00 0.00 C ATOM 178 CE1 PHE A 12 -8.306 -0.330 -7.624 1.00 0.00 C ATOM 179 CE2 PHE A 12 -10.167 1.071 -6.919 1.00 0.00 C ATOM 180 CZ PHE A 12 -8.830 0.939 -7.330 1.00 0.00 C ATOM 0 H PHE A 12 -11.756 -4.949 -6.732 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.241 -3.291 -5.340 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -11.013 -3.289 -7.826 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -12.369 -2.312 -7.298 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.708 -2.445 -7.689 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -12.037 0.046 -6.580 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.277 -0.432 -7.934 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.555 2.041 -6.646 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.204 1.815 -7.420 1.00 0.00 H new ATOM 190 N ASP A 13 -13.355 -2.326 -4.747 1.00 0.00 N ATOM 191 CA ASP A 13 -14.157 -1.517 -3.834 1.00 0.00 C ATOM 192 C ASP A 13 -13.781 -1.810 -2.380 1.00 0.00 C ATOM 193 O ASP A 13 -13.328 -0.933 -1.644 1.00 0.00 O ATOM 194 CB ASP A 13 -15.647 -1.780 -4.084 1.00 0.00 C ATOM 195 CG ASP A 13 -16.513 -1.124 -3.012 1.00 0.00 C ATOM 196 OD1 ASP A 13 -16.468 0.121 -2.925 1.00 0.00 O ATOM 197 OD2 ASP A 13 -17.194 -1.884 -2.288 1.00 0.00 O ATOM 0 H ASP A 13 -13.901 -2.846 -5.434 1.00 0.00 H new ATOM 0 HA ASP A 13 -13.954 -0.462 -4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -15.927 -1.397 -5.065 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -15.832 -2.854 -4.097 1.00 0.00 H new ATOM 202 N THR A 14 -13.976 -3.057 -1.970 1.00 0.00 N ATOM 203 CA THR A 14 -13.704 -3.495 -0.619 1.00 0.00 C ATOM 204 C THR A 14 -12.231 -3.318 -0.253 1.00 0.00 C ATOM 205 O THR A 14 -11.900 -2.836 0.829 1.00 0.00 O ATOM 206 CB THR A 14 -14.142 -4.961 -0.496 1.00 0.00 C ATOM 207 OG1 THR A 14 -15.301 -5.170 -1.283 1.00 0.00 O ATOM 208 CG2 THR A 14 -14.435 -5.335 0.958 1.00 0.00 C ATOM 0 H THR A 14 -14.331 -3.796 -2.577 1.00 0.00 H new ATOM 0 HA THR A 14 -14.266 -2.881 0.085 1.00 0.00 H new ATOM 0 HB THR A 14 -13.328 -5.594 -0.850 1.00 0.00 H new ATOM 0 HG1 THR A 14 -15.583 -6.106 -1.208 1.00 0.00 H new ATOM 0 HG21 THR A 14 -14.743 -6.379 1.010 1.00 0.00 H new ATOM 0 HG22 THR A 14 -13.537 -5.191 1.559 1.00 0.00 H new ATOM 0 HG23 THR A 14 -15.234 -4.702 1.343 1.00 0.00 H new ATOM 216 N ASP A 15 -11.344 -3.749 -1.151 1.00 0.00 N ATOM 217 CA ASP A 15 -9.911 -3.762 -0.914 1.00 0.00 C ATOM 218 C ASP A 15 -9.282 -2.371 -0.866 1.00 0.00 C ATOM 219 O ASP A 15 -8.266 -2.202 -0.197 1.00 0.00 O ATOM 220 CB ASP A 15 -9.209 -4.575 -2.006 1.00 0.00 C ATOM 221 CG ASP A 15 -9.616 -6.045 -2.090 1.00 0.00 C ATOM 222 OD1 ASP A 15 -10.325 -6.521 -1.176 1.00 0.00 O ATOM 223 OD2 ASP A 15 -9.205 -6.674 -3.090 1.00 0.00 O ATOM 0 H ASP A 15 -11.609 -4.101 -2.071 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.776 -4.214 0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.407 -4.105 -2.969 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.133 -4.522 -1.840 1.00 0.00 H new ATOM 228 N VAL A 16 -9.814 -1.413 -1.629 1.00 0.00 N ATOM 229 CA VAL A 16 -9.248 -0.082 -1.786 1.00 0.00 C ATOM 230 C VAL A 16 -10.172 0.995 -1.234 1.00 0.00 C ATOM 231 O VAL A 16 -9.824 1.689 -0.280 1.00 0.00 O ATOM 232 CB VAL A 16 -8.942 0.174 -3.276 1.00 0.00 C ATOM 233 CG1 VAL A 16 -8.324 1.559 -3.506 1.00 0.00 C ATOM 234 CG2 VAL A 16 -8.032 -0.920 -3.848 1.00 0.00 C ATOM 0 H VAL A 16 -10.671 -1.550 -2.165 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.323 -0.034 -1.211 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.895 0.146 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.125 1.697 -4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.017 2.328 -3.164 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.391 1.638 -2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.833 -0.714 -4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.092 -0.936 -3.297 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.524 -1.888 -3.755 1.00 0.00 H new ATOM 244 N LEU A 17 -11.348 1.154 -1.844 1.00 0.00 N ATOM 245 CA LEU A 17 -12.268 2.221 -1.481 1.00 0.00 C ATOM 246 C LEU A 17 -12.678 2.126 -0.016 1.00 0.00 C ATOM 247 O LEU A 17 -12.809 3.150 0.651 1.00 0.00 O ATOM 248 CB LEU A 17 -13.467 2.268 -2.441 1.00 0.00 C ATOM 249 CG LEU A 17 -13.061 2.408 -3.921 1.00 0.00 C ATOM 250 CD1 LEU A 17 -14.321 2.521 -4.785 1.00 0.00 C ATOM 251 CD2 LEU A 17 -12.181 3.640 -4.172 1.00 0.00 C ATOM 0 H LEU A 17 -11.682 0.551 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.749 3.173 -1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.057 1.360 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.109 3.105 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.483 1.522 -4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.036 2.620 -5.832 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.931 1.627 -4.658 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.894 3.397 -4.480 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.922 3.693 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.725 4.540 -3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.270 3.563 -3.579 1.00 0.00 H new ATOM 263 N LYS A 18 -12.860 0.904 0.490 1.00 0.00 N ATOM 264 CA LYS A 18 -13.231 0.676 1.881 1.00 0.00 C ATOM 265 C LYS A 18 -12.025 0.288 2.750 1.00 0.00 C ATOM 266 O LYS A 18 -12.215 -0.176 3.872 1.00 0.00 O ATOM 267 CB LYS A 18 -14.354 -0.367 1.951 1.00 0.00 C ATOM 268 CG LYS A 18 -15.577 0.087 1.139 1.00 0.00 C ATOM 269 CD LYS A 18 -16.732 -0.911 1.298 1.00 0.00 C ATOM 270 CE LYS A 18 -18.005 -0.411 0.604 1.00 0.00 C ATOM 271 NZ LYS A 18 -18.576 0.770 1.278 1.00 0.00 N ATOM 0 H LYS A 18 -12.754 0.049 -0.055 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.603 1.613 2.295 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.993 -1.322 1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -14.642 -0.528 2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -15.895 1.075 1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.309 0.176 0.086 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -16.442 -1.875 0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.933 -1.071 2.357 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -17.778 -0.162 -0.433 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.745 -1.211 0.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -19.531 0.952 0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -18.628 0.594 2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.972 1.598 1.099 1.00 0.00 H new ATOM 314 N ALA A 22 -4.151 3.348 4.603 1.00 0.00 N ATOM 315 CA ALA A 22 -3.548 3.797 3.359 1.00 0.00 C ATOM 316 C ALA A 22 -3.280 2.583 2.477 1.00 0.00 C ATOM 317 O ALA A 22 -2.686 1.613 2.947 1.00 0.00 O ATOM 318 CB ALA A 22 -2.256 4.560 3.661 1.00 0.00 C ATOM 0 HA ALA A 22 -4.221 4.472 2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.805 4.896 2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.481 5.424 4.287 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.560 3.904 4.185 1.00 0.00 H new ATOM 324 N ILE A 23 -3.711 2.640 1.216 1.00 0.00 N ATOM 325 CA ILE A 23 -3.526 1.604 0.210 1.00 0.00 C ATOM 326 C ILE A 23 -2.670 2.166 -0.914 1.00 0.00 C ATOM 327 O ILE A 23 -2.902 3.288 -1.351 1.00 0.00 O ATOM 328 CB ILE A 23 -4.892 1.119 -0.318 1.00 0.00 C ATOM 329 CG1 ILE A 23 -5.486 -0.059 0.458 1.00 0.00 C ATOM 330 CG2 ILE A 23 -4.905 0.813 -1.819 1.00 0.00 C ATOM 331 CD1 ILE A 23 -5.099 -1.447 -0.050 1.00 0.00 C ATOM 0 H ILE A 23 -4.221 3.447 0.856 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.021 0.743 0.648 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.536 1.982 -0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.180 0.025 1.501 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.572 0.026 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.900 0.478 -2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.646 1.713 -2.376 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -4.179 0.030 -2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.574 -2.207 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.430 -1.562 -1.082 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.016 -1.563 -0.001 1.00 0.00 H new ATOM 343 N LEU A 24 -1.725 1.370 -1.416 1.00 0.00 N ATOM 344 CA LEU A 24 -0.899 1.734 -2.564 1.00 0.00 C ATOM 345 C LEU A 24 -1.176 0.722 -3.668 1.00 0.00 C ATOM 346 O LEU A 24 -0.663 -0.392 -3.604 1.00 0.00 O ATOM 347 CB LEU A 24 0.589 1.764 -2.194 1.00 0.00 C ATOM 348 CG LEU A 24 1.461 2.278 -3.356 1.00 0.00 C ATOM 349 CD1 LEU A 24 1.482 3.805 -3.414 1.00 0.00 C ATOM 350 CD2 LEU A 24 2.891 1.742 -3.241 1.00 0.00 C ATOM 0 H LEU A 24 -1.511 0.449 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.149 2.739 -2.904 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.733 2.402 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.913 0.762 -1.913 1.00 0.00 H new ATOM 0 HG LEU A 24 1.015 1.909 -4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.107 4.129 -4.246 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.468 4.178 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.886 4.199 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.488 2.118 -4.072 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.329 2.074 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.875 0.652 -3.270 1.00 0.00 H new ATOM 362 N VAL A 25 -1.973 1.097 -4.670 1.00 0.00 N ATOM 363 CA VAL A 25 -2.298 0.210 -5.776 1.00 0.00 C ATOM 364 C VAL A 25 -1.262 0.361 -6.883 1.00 0.00 C ATOM 365 O VAL A 25 -1.205 1.405 -7.537 1.00 0.00 O ATOM 366 CB VAL A 25 -3.705 0.470 -6.338 1.00 0.00 C ATOM 367 CG1 VAL A 25 -4.024 -0.592 -7.402 1.00 0.00 C ATOM 368 CG2 VAL A 25 -4.770 0.415 -5.241 1.00 0.00 C ATOM 0 H VAL A 25 -2.406 2.018 -4.733 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.284 -0.810 -5.391 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.718 1.469 -6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.021 -0.415 -7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.291 -0.533 -8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.987 -1.583 -6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.751 0.604 -5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.763 -0.571 -4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.556 1.173 -4.488 1.00 0.00 H new ATOM 378 N ASP A 26 -0.485 -0.699 -7.107 1.00 0.00 N ATOM 379 CA ASP A 26 0.485 -0.804 -8.179 1.00 0.00 C ATOM 380 C ASP A 26 -0.190 -1.506 -9.357 1.00 0.00 C ATOM 381 O ASP A 26 -0.407 -2.717 -9.318 1.00 0.00 O ATOM 382 CB ASP A 26 1.710 -1.593 -7.705 1.00 0.00 C ATOM 383 CG ASP A 26 2.608 -1.968 -8.875 1.00 0.00 C ATOM 384 OD1 ASP A 26 2.917 -1.141 -9.728 1.00 0.00 O ATOM 385 OD2 ASP A 26 3.044 -3.250 -8.954 1.00 0.00 O ATOM 0 H ASP A 26 -0.521 -1.534 -6.522 1.00 0.00 H new ATOM 0 HA ASP A 26 0.827 0.185 -8.484 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.274 -0.998 -6.986 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.387 -2.496 -7.187 1.00 0.00 H new ATOM 391 N PHE A 27 -0.514 -0.757 -10.406 1.00 0.00 N ATOM 392 CA PHE A 27 -1.115 -1.319 -11.605 1.00 0.00 C ATOM 393 C PHE A 27 0.009 -1.935 -12.438 1.00 0.00 C ATOM 394 O PHE A 27 0.973 -1.236 -12.752 1.00 0.00 O ATOM 395 CB PHE A 27 -1.862 -0.226 -12.371 1.00 0.00 C ATOM 396 CG PHE A 27 -3.129 0.247 -11.679 1.00 0.00 C ATOM 397 CD1 PHE A 27 -3.066 1.150 -10.601 1.00 0.00 C ATOM 398 CD2 PHE A 27 -4.379 -0.242 -12.098 1.00 0.00 C ATOM 399 CE1 PHE A 27 -4.246 1.571 -9.966 1.00 0.00 C ATOM 400 CE2 PHE A 27 -5.561 0.211 -11.489 1.00 0.00 C ATOM 401 CZ PHE A 27 -5.497 1.121 -10.421 1.00 0.00 C ATOM 0 H PHE A 27 -0.367 0.252 -10.447 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.845 -2.091 -11.360 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.197 0.626 -12.513 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.118 -0.599 -13.363 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.109 1.519 -10.262 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.431 -0.971 -12.893 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.192 2.244 -9.123 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.519 -0.141 -11.842 1.00 0.00 H new ATOM 0 HZ PHE A 27 -6.404 1.473 -9.952 1.00 0.00 H new ATOM 411 N TRP A 28 -0.098 -3.226 -12.771 1.00 0.00 N ATOM 412 CA TRP A 28 0.926 -3.957 -13.511 1.00 0.00 C ATOM 413 C TRP A 28 0.321 -4.872 -14.578 1.00 0.00 C ATOM 414 O TRP A 28 -0.897 -4.982 -14.702 1.00 0.00 O ATOM 415 CB TRP A 28 1.794 -4.751 -12.520 1.00 0.00 C ATOM 416 CG TRP A 28 1.130 -5.923 -11.859 1.00 0.00 C ATOM 417 CD1 TRP A 28 0.253 -5.860 -10.836 1.00 0.00 C ATOM 418 CD2 TRP A 28 1.265 -7.342 -12.170 1.00 0.00 C ATOM 419 NE1 TRP A 28 -0.201 -7.126 -10.530 1.00 0.00 N ATOM 420 CE2 TRP A 28 0.378 -8.082 -11.336 1.00 0.00 C ATOM 421 CE3 TRP A 28 2.069 -8.082 -13.059 1.00 0.00 C ATOM 422 CZ2 TRP A 28 0.250 -9.478 -11.425 1.00 0.00 C ATOM 423 CZ3 TRP A 28 1.961 -9.481 -13.145 1.00 0.00 C ATOM 424 CH2 TRP A 28 1.019 -10.174 -12.372 1.00 0.00 C ATOM 0 H TRP A 28 -0.909 -3.795 -12.530 1.00 0.00 H new ATOM 0 HA TRP A 28 1.550 -3.239 -14.043 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.678 -5.109 -13.048 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.141 -4.069 -11.743 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -0.049 -4.954 -10.332 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.881 -7.329 -9.798 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.781 -7.565 -13.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -0.430 -10.008 -10.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.610 -10.027 -13.813 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.885 -11.238 -12.504 1.00 0.00 H new ATOM 435 N ALA A 29 1.199 -5.542 -15.336 1.00 0.00 N ATOM 436 CA ALA A 29 0.866 -6.493 -16.385 1.00 0.00 C ATOM 437 C ALA A 29 1.959 -7.558 -16.425 1.00 0.00 C ATOM 438 O ALA A 29 3.108 -7.258 -16.102 1.00 0.00 O ATOM 439 CB ALA A 29 0.803 -5.787 -17.739 1.00 0.00 C ATOM 0 H ALA A 29 2.206 -5.425 -15.223 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.106 -6.943 -16.180 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.553 -6.510 -18.515 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.040 -5.009 -17.709 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.771 -5.337 -17.960 1.00 0.00 H new ATOM 445 N GLU A 30 1.634 -8.784 -16.839 1.00 0.00 N ATOM 446 CA GLU A 30 2.589 -9.886 -16.909 1.00 0.00 C ATOM 447 C GLU A 30 3.821 -9.523 -17.748 1.00 0.00 C ATOM 448 O GLU A 30 4.939 -9.916 -17.424 1.00 0.00 O ATOM 449 CB GLU A 30 1.910 -11.168 -17.420 1.00 0.00 C ATOM 450 CG GLU A 30 0.792 -11.717 -16.513 1.00 0.00 C ATOM 451 CD GLU A 30 -0.615 -11.214 -16.839 1.00 0.00 C ATOM 452 OE1 GLU A 30 -0.727 -10.040 -17.252 1.00 0.00 O ATOM 453 OE2 GLU A 30 -1.567 -11.996 -16.621 1.00 0.00 O ATOM 0 H GLU A 30 0.693 -9.040 -17.137 1.00 0.00 H new ATOM 0 HA GLU A 30 2.945 -10.078 -15.897 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.493 -10.972 -18.408 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.670 -11.940 -17.543 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.796 -12.805 -16.577 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.023 -11.457 -15.480 1.00 0.00 H new ATOM 460 N TRP A 31 3.612 -8.763 -18.822 1.00 0.00 N ATOM 461 CA TRP A 31 4.657 -8.317 -19.734 1.00 0.00 C ATOM 462 C TRP A 31 5.355 -7.033 -19.256 1.00 0.00 C ATOM 463 O TRP A 31 6.291 -6.560 -19.900 1.00 0.00 O ATOM 464 CB TRP A 31 4.027 -8.131 -21.122 1.00 0.00 C ATOM 465 CG TRP A 31 2.738 -7.363 -21.155 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.502 -7.912 -21.135 1.00 0.00 C ATOM 467 CD2 TRP A 31 2.532 -5.916 -21.164 1.00 0.00 C ATOM 468 NE1 TRP A 31 0.551 -6.915 -21.137 1.00 0.00 N ATOM 469 CE2 TRP A 31 1.126 -5.662 -21.161 1.00 0.00 C ATOM 470 CE3 TRP A 31 3.384 -4.791 -21.165 1.00 0.00 C ATOM 471 CZ2 TRP A 31 0.597 -4.364 -21.162 1.00 0.00 C ATOM 472 CZ3 TRP A 31 2.863 -3.482 -21.161 1.00 0.00 C ATOM 473 CH2 TRP A 31 1.473 -3.267 -21.168 1.00 0.00 C ATOM 0 H TRP A 31 2.684 -8.433 -19.087 1.00 0.00 H new ATOM 0 HA TRP A 31 5.441 -9.073 -19.772 1.00 0.00 H new ATOM 0 HB2 TRP A 31 4.748 -7.623 -21.762 1.00 0.00 H new ATOM 0 HB3 TRP A 31 3.853 -9.115 -21.556 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.292 -8.971 -21.120 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -0.455 -7.083 -21.123 1.00 0.00 H new ATOM 0 HE3 TRP A 31 4.454 -4.936 -21.169 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.472 -4.210 -21.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.536 -2.637 -21.152 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.081 -2.261 -21.178 1.00 0.00 H new ATOM 484 N CYS A 32 4.927 -6.445 -18.134 1.00 0.00 N ATOM 485 CA CYS A 32 5.507 -5.199 -17.650 1.00 0.00 C ATOM 486 C CYS A 32 6.832 -5.444 -16.926 1.00 0.00 C ATOM 487 O CYS A 32 6.892 -5.466 -15.696 1.00 0.00 O ATOM 488 CB CYS A 32 4.520 -4.480 -16.737 1.00 0.00 C ATOM 489 SG CYS A 32 5.138 -2.908 -16.110 1.00 0.00 S ATOM 0 H CYS A 32 4.180 -6.816 -17.547 1.00 0.00 H new ATOM 0 HA CYS A 32 5.716 -4.566 -18.512 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.593 -4.306 -17.283 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.277 -5.128 -15.895 1.00 0.00 H new ATOM 494 N GLY A 33 7.908 -5.611 -17.698 1.00 0.00 N ATOM 495 CA GLY A 33 9.260 -5.792 -17.178 1.00 0.00 C ATOM 496 C GLY A 33 9.561 -4.837 -16.011 1.00 0.00 C ATOM 497 O GLY A 33 9.871 -5.297 -14.914 1.00 0.00 O ATOM 0 H GLY A 33 7.861 -5.624 -18.717 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.385 -6.822 -16.845 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.981 -5.626 -17.978 1.00 0.00 H new ATOM 501 N PRO A 34 9.452 -3.512 -16.208 1.00 0.00 N ATOM 502 CA PRO A 34 9.682 -2.530 -15.157 1.00 0.00 C ATOM 503 C PRO A 34 8.857 -2.789 -13.885 1.00 0.00 C ATOM 504 O PRO A 34 9.336 -2.554 -12.778 1.00 0.00 O ATOM 505 CB PRO A 34 9.351 -1.173 -15.782 1.00 0.00 C ATOM 506 CG PRO A 34 9.586 -1.405 -17.273 1.00 0.00 C ATOM 507 CD PRO A 34 9.117 -2.847 -17.456 1.00 0.00 C ATOM 0 HA PRO A 34 10.715 -2.580 -14.813 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.322 -0.877 -15.578 1.00 0.00 H new ATOM 0 HB3 PRO A 34 9.993 -0.383 -15.392 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.014 -0.710 -17.888 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.635 -1.281 -17.544 1.00 0.00 H new ATOM 0 HD2 PRO A 34 8.046 -2.892 -17.652 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.616 -3.320 -18.302 1.00 0.00 H new ATOM 515 N CYS A 35 7.630 -3.305 -14.025 1.00 0.00 N ATOM 516 CA CYS A 35 6.789 -3.618 -12.875 1.00 0.00 C ATOM 517 C CYS A 35 7.476 -4.719 -12.072 1.00 0.00 C ATOM 518 O CYS A 35 7.613 -4.624 -10.854 1.00 0.00 O ATOM 519 CB CYS A 35 5.365 -4.050 -13.255 1.00 0.00 C ATOM 520 SG CYS A 35 4.336 -2.892 -14.194 1.00 0.00 S ATOM 0 H CYS A 35 7.201 -3.513 -14.927 1.00 0.00 H new ATOM 0 HA CYS A 35 6.674 -2.708 -12.286 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.440 -4.971 -13.833 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.835 -4.294 -12.334 1.00 0.00 H new ATOM 525 N LYS A 36 7.947 -5.758 -12.771 1.00 0.00 N ATOM 526 CA LYS A 36 8.680 -6.842 -12.135 1.00 0.00 C ATOM 527 C LYS A 36 9.953 -6.281 -11.494 1.00 0.00 C ATOM 528 O LYS A 36 10.284 -6.655 -10.374 1.00 0.00 O ATOM 529 CB LYS A 36 8.991 -7.975 -13.128 1.00 0.00 C ATOM 530 CG LYS A 36 7.829 -8.962 -13.314 1.00 0.00 C ATOM 531 CD LYS A 36 6.632 -8.368 -14.069 1.00 0.00 C ATOM 532 CE LYS A 36 5.456 -9.347 -14.106 1.00 0.00 C ATOM 533 NZ LYS A 36 5.774 -10.586 -14.835 1.00 0.00 N ATOM 0 H LYS A 36 7.830 -5.865 -13.779 1.00 0.00 H new ATOM 0 HA LYS A 36 8.058 -7.282 -11.355 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.247 -7.541 -14.094 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.869 -8.520 -12.782 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.190 -9.837 -13.854 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.496 -9.306 -12.335 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.321 -7.440 -13.589 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.930 -8.116 -15.087 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.162 -9.595 -13.086 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.600 -8.863 -14.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.509 -11.408 -14.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.244 -10.608 -15.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.794 -10.619 -15.036 1.00 0.00 H new ATOM 547 N MET A 37 10.655 -5.373 -12.178 1.00 0.00 N ATOM 548 CA MET A 37 11.860 -4.760 -11.630 1.00 0.00 C ATOM 549 C MET A 37 11.569 -4.061 -10.293 1.00 0.00 C ATOM 550 O MET A 37 12.354 -4.204 -9.358 1.00 0.00 O ATOM 551 CB MET A 37 12.507 -3.801 -12.637 1.00 0.00 C ATOM 552 CG MET A 37 13.048 -4.545 -13.864 1.00 0.00 C ATOM 553 SD MET A 37 13.603 -3.467 -15.209 1.00 0.00 S ATOM 554 CE MET A 37 14.113 -4.713 -16.413 1.00 0.00 C ATOM 0 H MET A 37 10.406 -5.049 -13.112 1.00 0.00 H new ATOM 0 HA MET A 37 12.577 -5.557 -11.434 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.774 -3.059 -12.955 1.00 0.00 H new ATOM 0 HB3 MET A 37 13.319 -3.259 -12.153 1.00 0.00 H new ATOM 0 HG2 MET A 37 13.881 -5.176 -13.553 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.271 -5.208 -14.244 1.00 0.00 H new ATOM 0 HE1 MET A 37 14.485 -4.220 -17.311 1.00 0.00 H new ATOM 0 HE2 MET A 37 14.902 -5.331 -15.985 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.260 -5.341 -16.670 1.00 0.00 H new ATOM 564 N ILE A 38 10.464 -3.312 -10.183 1.00 0.00 N ATOM 565 CA ILE A 38 10.135 -2.646 -8.920 1.00 0.00 C ATOM 566 C ILE A 38 9.511 -3.599 -7.889 1.00 0.00 C ATOM 567 O ILE A 38 9.613 -3.332 -6.693 1.00 0.00 O ATOM 568 CB ILE A 38 9.300 -1.364 -9.112 1.00 0.00 C ATOM 569 CG1 ILE A 38 7.884 -1.649 -9.630 1.00 0.00 C ATOM 570 CG2 ILE A 38 10.043 -0.376 -10.022 1.00 0.00 C ATOM 571 CD1 ILE A 38 6.981 -0.413 -9.612 1.00 0.00 C ATOM 0 H ILE A 38 9.796 -3.155 -10.938 1.00 0.00 H new ATOM 0 HA ILE A 38 11.090 -2.325 -8.504 1.00 0.00 H new ATOM 0 HB ILE A 38 9.175 -0.909 -8.130 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.946 -2.032 -10.649 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.431 -2.432 -9.022 1.00 0.00 H new ATOM 0 HG21 ILE A 38 9.442 0.524 -10.149 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.999 -0.113 -9.570 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.216 -0.837 -10.995 1.00 0.00 H new ATOM 0 HD11 ILE A 38 5.994 -0.678 -9.990 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.892 -0.043 -8.591 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.414 0.363 -10.243 1.00 0.00 H new ATOM 583 N ALA A 39 8.849 -4.686 -8.315 1.00 0.00 N ATOM 584 CA ALA A 39 8.186 -5.630 -7.414 1.00 0.00 C ATOM 585 C ALA A 39 8.962 -5.925 -6.113 1.00 0.00 C ATOM 586 O ALA A 39 8.392 -5.706 -5.046 1.00 0.00 O ATOM 587 CB ALA A 39 7.698 -6.880 -8.156 1.00 0.00 C ATOM 0 H ALA A 39 8.761 -4.932 -9.301 1.00 0.00 H new ATOM 0 HA ALA A 39 7.291 -5.123 -7.054 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.212 -7.555 -7.451 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.987 -6.590 -8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.548 -7.385 -8.615 1.00 0.00 H new ATOM 593 N PRO A 40 10.236 -6.367 -6.139 1.00 0.00 N ATOM 594 CA PRO A 40 11.030 -6.569 -4.933 1.00 0.00 C ATOM 595 C PRO A 40 10.994 -5.365 -3.987 1.00 0.00 C ATOM 596 O PRO A 40 10.839 -5.535 -2.778 1.00 0.00 O ATOM 597 CB PRO A 40 12.460 -6.834 -5.411 1.00 0.00 C ATOM 598 CG PRO A 40 12.252 -7.447 -6.792 1.00 0.00 C ATOM 599 CD PRO A 40 11.031 -6.692 -7.311 1.00 0.00 C ATOM 0 HA PRO A 40 10.625 -7.400 -4.356 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.045 -5.916 -5.461 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.989 -7.514 -4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 40 13.121 -7.303 -7.434 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.071 -8.520 -6.736 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.328 -5.789 -7.844 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.462 -7.304 -8.011 1.00 0.00 H new ATOM 607 N ILE A 41 11.108 -4.148 -4.533 1.00 0.00 N ATOM 608 CA ILE A 41 11.062 -2.917 -3.755 1.00 0.00 C ATOM 609 C ILE A 41 9.694 -2.835 -3.083 1.00 0.00 C ATOM 610 O ILE A 41 9.612 -2.631 -1.875 1.00 0.00 O ATOM 611 CB ILE A 41 11.359 -1.667 -4.613 1.00 0.00 C ATOM 612 CG1 ILE A 41 12.675 -1.813 -5.403 1.00 0.00 C ATOM 613 CG2 ILE A 41 11.438 -0.433 -3.701 1.00 0.00 C ATOM 614 CD1 ILE A 41 12.911 -0.651 -6.376 1.00 0.00 C ATOM 0 H ILE A 41 11.235 -3.995 -5.533 1.00 0.00 H new ATOM 0 HA ILE A 41 11.846 -2.938 -2.998 1.00 0.00 H new ATOM 0 HB ILE A 41 10.551 -1.553 -5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 41 13.509 -1.872 -4.704 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.658 -2.750 -5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 41 11.648 0.451 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 41 10.488 -0.302 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 41 12.234 -0.571 -2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 41 13.851 -0.805 -6.906 1.00 0.00 H new ATOM 0 HD12 ILE A 41 12.093 -0.606 -7.095 1.00 0.00 H new ATOM 0 HD13 ILE A 41 12.957 0.285 -5.820 1.00 0.00 H new ATOM 626 N LEU A 42 8.617 -3.026 -3.854 1.00 0.00 N ATOM 627 CA LEU A 42 7.265 -3.008 -3.301 1.00 0.00 C ATOM 628 C LEU A 42 7.147 -4.031 -2.165 1.00 0.00 C ATOM 629 O LEU A 42 6.576 -3.736 -1.117 1.00 0.00 O ATOM 630 CB LEU A 42 6.200 -3.284 -4.376 1.00 0.00 C ATOM 631 CG LEU A 42 6.266 -2.379 -5.617 1.00 0.00 C ATOM 632 CD1 LEU A 42 5.132 -2.747 -6.579 1.00 0.00 C ATOM 633 CD2 LEU A 42 6.150 -0.895 -5.246 1.00 0.00 C ATOM 0 H LEU A 42 8.659 -3.194 -4.859 1.00 0.00 H new ATOM 0 HA LEU A 42 7.083 -2.007 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.294 -4.321 -4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.214 -3.179 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 42 7.235 -2.535 -6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.179 -2.105 -7.459 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.237 -3.788 -6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.173 -2.609 -6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.201 -0.289 -6.150 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.199 -0.719 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.968 -0.622 -4.579 1.00 0.00 H new ATOM 645 N ASP A 43 7.689 -5.235 -2.374 1.00 0.00 N ATOM 646 CA ASP A 43 7.651 -6.314 -1.398 1.00 0.00 C ATOM 647 C ASP A 43 8.318 -5.876 -0.094 1.00 0.00 C ATOM 648 O ASP A 43 7.684 -5.892 0.959 1.00 0.00 O ATOM 649 CB ASP A 43 8.291 -7.591 -1.963 1.00 0.00 C ATOM 650 CG ASP A 43 7.595 -8.123 -3.217 1.00 0.00 C ATOM 651 OD1 ASP A 43 6.351 -8.028 -3.274 1.00 0.00 O ATOM 652 OD2 ASP A 43 8.321 -8.637 -4.096 1.00 0.00 O ATOM 0 H ASP A 43 8.171 -5.485 -3.238 1.00 0.00 H new ATOM 0 HA ASP A 43 6.609 -6.547 -1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.337 -7.391 -2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.278 -8.364 -1.195 1.00 0.00 H new ATOM 657 N GLU A 44 9.590 -5.464 -0.142 1.00 0.00 N ATOM 658 CA GLU A 44 10.258 -5.025 1.080 1.00 0.00 C ATOM 659 C GLU A 44 9.521 -3.834 1.705 1.00 0.00 C ATOM 660 O GLU A 44 9.302 -3.822 2.914 1.00 0.00 O ATOM 661 CB GLU A 44 11.760 -4.783 0.878 1.00 0.00 C ATOM 662 CG GLU A 44 12.086 -3.705 -0.157 1.00 0.00 C ATOM 663 CD GLU A 44 13.584 -3.502 -0.361 1.00 0.00 C ATOM 664 OE1 GLU A 44 14.354 -3.898 0.542 1.00 0.00 O ATOM 665 OE2 GLU A 44 13.932 -2.925 -1.413 1.00 0.00 O ATOM 0 H GLU A 44 10.160 -5.427 -0.987 1.00 0.00 H new ATOM 0 HA GLU A 44 10.206 -5.840 1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.203 -4.500 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.230 -5.718 0.573 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.629 -3.975 -1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.637 -2.762 0.156 1.00 0.00 H new ATOM 672 N ILE A 45 9.094 -2.861 0.894 1.00 0.00 N ATOM 673 CA ILE A 45 8.336 -1.709 1.369 1.00 0.00 C ATOM 674 C ILE A 45 7.100 -2.178 2.142 1.00 0.00 C ATOM 675 O ILE A 45 6.828 -1.658 3.221 1.00 0.00 O ATOM 676 CB ILE A 45 7.999 -0.771 0.196 1.00 0.00 C ATOM 677 CG1 ILE A 45 9.247 0.008 -0.268 1.00 0.00 C ATOM 678 CG2 ILE A 45 6.839 0.190 0.490 1.00 0.00 C ATOM 679 CD1 ILE A 45 9.672 1.166 0.641 1.00 0.00 C ATOM 0 H ILE A 45 9.267 -2.854 -0.111 1.00 0.00 H new ATOM 0 HA ILE A 45 8.941 -1.128 2.065 1.00 0.00 H new ATOM 0 HB ILE A 45 7.661 -1.418 -0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.080 -0.690 -0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.058 0.402 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.658 0.820 -0.381 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.940 -0.383 0.716 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.094 0.817 1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.558 1.648 0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.862 1.892 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.899 0.783 1.636 1.00 0.00 H new ATOM 691 N ALA A 46 6.370 -3.169 1.620 1.00 0.00 N ATOM 692 CA ALA A 46 5.200 -3.722 2.291 1.00 0.00 C ATOM 693 C ALA A 46 5.551 -4.210 3.701 1.00 0.00 C ATOM 694 O ALA A 46 4.741 -4.084 4.616 1.00 0.00 O ATOM 695 CB ALA A 46 4.587 -4.849 1.454 1.00 0.00 C ATOM 0 H ALA A 46 6.577 -3.606 0.722 1.00 0.00 H new ATOM 0 HA ALA A 46 4.458 -2.930 2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.714 -5.251 1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.287 -4.458 0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.323 -5.641 1.315 1.00 0.00 H new ATOM 701 N ASP A 47 6.759 -4.750 3.889 1.00 0.00 N ATOM 702 CA ASP A 47 7.205 -5.186 5.205 1.00 0.00 C ATOM 703 C ASP A 47 7.602 -3.976 6.050 1.00 0.00 C ATOM 704 O ASP A 47 7.126 -3.816 7.172 1.00 0.00 O ATOM 705 CB ASP A 47 8.356 -6.188 5.080 1.00 0.00 C ATOM 706 CG ASP A 47 8.722 -6.738 6.453 1.00 0.00 C ATOM 707 OD1 ASP A 47 8.080 -7.733 6.855 1.00 0.00 O ATOM 708 OD2 ASP A 47 9.618 -6.140 7.086 1.00 0.00 O ATOM 0 H ASP A 47 7.441 -4.893 3.144 1.00 0.00 H new ATOM 0 HA ASP A 47 6.383 -5.695 5.709 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.068 -7.004 4.418 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.223 -5.704 4.631 1.00 0.00 H new ATOM 713 N GLU A 48 8.475 -3.118 5.519 1.00 0.00 N ATOM 714 CA GLU A 48 8.967 -1.931 6.203 1.00 0.00 C ATOM 715 C GLU A 48 7.819 -1.070 6.739 1.00 0.00 C ATOM 716 O GLU A 48 7.861 -0.611 7.878 1.00 0.00 O ATOM 717 CB GLU A 48 9.854 -1.137 5.239 1.00 0.00 C ATOM 718 CG GLU A 48 11.158 -1.884 4.923 1.00 0.00 C ATOM 719 CD GLU A 48 11.923 -1.211 3.790 1.00 0.00 C ATOM 720 OE1 GLU A 48 12.737 -0.316 4.101 1.00 0.00 O ATOM 721 OE2 GLU A 48 11.667 -1.587 2.625 1.00 0.00 O ATOM 0 H GLU A 48 8.864 -3.235 4.584 1.00 0.00 H new ATOM 0 HA GLU A 48 9.554 -2.237 7.069 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.309 -0.949 4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.087 -0.166 5.675 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.783 -1.921 5.815 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.932 -2.915 4.650 1.00 0.00 H new ATOM 728 N TYR A 49 6.795 -0.856 5.913 1.00 0.00 N ATOM 729 CA TYR A 49 5.620 -0.068 6.252 1.00 0.00 C ATOM 730 C TYR A 49 4.449 -0.962 6.692 1.00 0.00 C ATOM 731 O TYR A 49 3.296 -0.543 6.584 1.00 0.00 O ATOM 732 CB TYR A 49 5.234 0.817 5.054 1.00 0.00 C ATOM 733 CG TYR A 49 6.160 1.987 4.777 1.00 0.00 C ATOM 734 CD1 TYR A 49 7.366 1.794 4.078 1.00 0.00 C ATOM 735 CD2 TYR A 49 5.766 3.289 5.138 1.00 0.00 C ATOM 736 CE1 TYR A 49 8.168 2.897 3.734 1.00 0.00 C ATOM 737 CE2 TYR A 49 6.563 4.391 4.788 1.00 0.00 C ATOM 738 CZ TYR A 49 7.757 4.198 4.078 1.00 0.00 C ATOM 739 OH TYR A 49 8.510 5.280 3.729 1.00 0.00 O ATOM 0 H TYR A 49 6.763 -1.237 4.967 1.00 0.00 H new ATOM 0 HA TYR A 49 5.860 0.573 7.101 1.00 0.00 H new ATOM 0 HB2 TYR A 49 5.191 0.192 4.162 1.00 0.00 H new ATOM 0 HB3 TYR A 49 4.229 1.204 5.220 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.677 0.796 3.805 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.848 3.441 5.686 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.098 2.746 3.206 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.256 5.388 5.066 1.00 0.00 H new ATOM 0 HH TYR A 49 8.074 6.098 4.047 1.00 0.00 H new ATOM 749 N GLN A 50 4.701 -2.176 7.197 1.00 0.00 N ATOM 750 CA GLN A 50 3.623 -3.047 7.641 1.00 0.00 C ATOM 751 C GLN A 50 2.732 -2.321 8.654 1.00 0.00 C ATOM 752 O GLN A 50 3.229 -1.705 9.595 1.00 0.00 O ATOM 753 CB GLN A 50 4.184 -4.363 8.190 1.00 0.00 C ATOM 754 CG GLN A 50 4.995 -4.216 9.486 1.00 0.00 C ATOM 755 CD GLN A 50 5.720 -5.515 9.816 1.00 0.00 C ATOM 756 OE1 GLN A 50 5.277 -6.290 10.657 1.00 0.00 O ATOM 757 NE2 GLN A 50 6.836 -5.767 9.144 1.00 0.00 N ATOM 0 H GLN A 50 5.636 -2.569 7.305 1.00 0.00 H new ATOM 0 HA GLN A 50 2.995 -3.302 6.787 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.357 -5.050 8.370 1.00 0.00 H new ATOM 0 HB3 GLN A 50 4.817 -4.819 7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.718 -3.407 9.379 1.00 0.00 H new ATOM 0 HG3 GLN A 50 4.332 -3.945 10.307 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.176 -5.100 8.451 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.354 -6.628 9.320 1.00 0.00 H new ATOM 766 N GLY A 51 1.414 -2.345 8.438 1.00 0.00 N ATOM 767 CA GLY A 51 0.461 -1.667 9.307 1.00 0.00 C ATOM 768 C GLY A 51 0.323 -0.171 9.005 1.00 0.00 C ATOM 769 O GLY A 51 -0.663 0.435 9.415 1.00 0.00 O ATOM 0 H GLY A 51 0.982 -2.836 7.655 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.515 -2.143 9.206 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.771 -1.794 10.344 1.00 0.00 H new ATOM 773 N LYS A 52 1.278 0.430 8.285 1.00 0.00 N ATOM 774 CA LYS A 52 1.249 1.842 7.924 1.00 0.00 C ATOM 775 C LYS A 52 0.744 1.993 6.491 1.00 0.00 C ATOM 776 O LYS A 52 -0.081 2.862 6.213 1.00 0.00 O ATOM 777 CB LYS A 52 2.656 2.450 8.044 1.00 0.00 C ATOM 778 CG LYS A 52 3.219 2.363 9.466 1.00 0.00 C ATOM 779 CD LYS A 52 4.674 2.852 9.535 1.00 0.00 C ATOM 780 CE LYS A 52 4.832 4.322 9.121 1.00 0.00 C ATOM 781 NZ LYS A 52 6.221 4.779 9.308 1.00 0.00 N ATOM 0 H LYS A 52 2.100 -0.062 7.935 1.00 0.00 H new ATOM 0 HA LYS A 52 0.579 2.368 8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.329 1.935 7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.624 3.494 7.734 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.603 2.960 10.138 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.165 1.332 9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.047 2.724 10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.292 2.229 8.888 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.544 4.442 8.077 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.159 4.944 9.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.300 5.775 9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.485 4.685 10.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.859 4.199 8.726 1.00 0.00 H new ATOM 795 N LEU A 53 1.253 1.155 5.583 1.00 0.00 N ATOM 796 CA LEU A 53 0.911 1.176 4.171 1.00 0.00 C ATOM 797 C LEU A 53 0.473 -0.215 3.727 1.00 0.00 C ATOM 798 O LEU A 53 1.182 -1.197 3.936 1.00 0.00 O ATOM 799 CB LEU A 53 2.145 1.610 3.375 1.00 0.00 C ATOM 800 CG LEU A 53 1.852 1.866 1.890 1.00 0.00 C ATOM 801 CD1 LEU A 53 1.116 3.199 1.701 1.00 0.00 C ATOM 802 CD2 LEU A 53 3.190 1.891 1.148 1.00 0.00 C ATOM 0 H LEU A 53 1.929 0.429 5.822 1.00 0.00 H new ATOM 0 HA LEU A 53 0.093 1.875 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.554 2.518 3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.912 0.840 3.459 1.00 0.00 H new ATOM 0 HG LEU A 53 1.210 1.078 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.919 3.359 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.172 3.174 2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.733 4.013 2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.015 2.071 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.816 2.686 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.694 0.933 1.274 1.00 0.00 H new ATOM 814 N THR A 54 -0.688 -0.284 3.084 1.00 0.00 N ATOM 815 CA THR A 54 -1.264 -1.500 2.549 1.00 0.00 C ATOM 816 C THR A 54 -0.847 -1.566 1.079 1.00 0.00 C ATOM 817 O THR A 54 -1.474 -0.946 0.220 1.00 0.00 O ATOM 818 CB THR A 54 -2.786 -1.433 2.745 1.00 0.00 C ATOM 819 OG1 THR A 54 -3.101 -0.931 4.027 1.00 0.00 O ATOM 820 CG2 THR A 54 -3.482 -2.769 2.526 1.00 0.00 C ATOM 0 H THR A 54 -1.270 0.537 2.918 1.00 0.00 H new ATOM 0 HA THR A 54 -0.919 -2.405 3.049 1.00 0.00 H new ATOM 0 HB THR A 54 -3.160 -0.753 1.980 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.032 0.047 4.022 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.554 -2.650 2.680 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.298 -3.113 1.508 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.093 -3.502 3.233 1.00 0.00 H new ATOM 828 N VAL A 55 0.226 -2.287 0.761 1.00 0.00 N ATOM 829 CA VAL A 55 0.675 -2.351 -0.620 1.00 0.00 C ATOM 830 C VAL A 55 -0.239 -3.333 -1.352 1.00 0.00 C ATOM 831 O VAL A 55 -0.571 -4.400 -0.833 1.00 0.00 O ATOM 832 CB VAL A 55 2.155 -2.750 -0.692 1.00 0.00 C ATOM 833 CG1 VAL A 55 2.662 -2.730 -2.140 1.00 0.00 C ATOM 834 CG2 VAL A 55 3.033 -1.772 0.099 1.00 0.00 C ATOM 0 H VAL A 55 0.786 -2.821 1.425 1.00 0.00 H new ATOM 0 HA VAL A 55 0.610 -1.376 -1.102 1.00 0.00 H new ATOM 0 HB VAL A 55 2.223 -3.754 -0.272 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.713 -3.017 -2.161 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.082 -3.433 -2.738 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.551 -1.726 -2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.076 -2.081 0.029 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.923 -0.769 -0.314 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.724 -1.770 1.144 1.00 0.00 H new ATOM 844 N ALA A 56 -0.666 -2.962 -2.557 1.00 0.00 N ATOM 845 CA ALA A 56 -1.556 -3.750 -3.382 1.00 0.00 C ATOM 846 C ALA A 56 -1.047 -3.755 -4.821 1.00 0.00 C ATOM 847 O ALA A 56 -0.414 -2.800 -5.265 1.00 0.00 O ATOM 848 CB ALA A 56 -2.968 -3.173 -3.273 1.00 0.00 C ATOM 0 H ALA A 56 -0.391 -2.081 -2.991 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.584 -4.785 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.649 -3.758 -3.891 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.297 -3.210 -2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.966 -2.138 -3.616 1.00 0.00 H new ATOM 854 N LYS A 57 -1.322 -4.831 -5.552 1.00 0.00 N ATOM 855 CA LYS A 57 -0.964 -5.017 -6.949 1.00 0.00 C ATOM 856 C LYS A 57 -2.247 -5.330 -7.710 1.00 0.00 C ATOM 857 O LYS A 57 -3.071 -6.103 -7.222 1.00 0.00 O ATOM 858 CB LYS A 57 0.012 -6.191 -7.073 1.00 0.00 C ATOM 859 CG LYS A 57 1.493 -5.812 -6.982 1.00 0.00 C ATOM 860 CD LYS A 57 2.278 -7.096 -6.673 1.00 0.00 C ATOM 861 CE LYS A 57 3.784 -6.979 -6.885 1.00 0.00 C ATOM 862 NZ LYS A 57 4.497 -8.154 -6.349 1.00 0.00 N ATOM 0 H LYS A 57 -1.823 -5.631 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.487 -4.124 -7.352 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.212 -6.914 -6.289 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.162 -6.690 -8.026 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.834 -5.370 -7.918 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.651 -5.068 -6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.090 -7.382 -5.638 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.896 -7.901 -7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 57 3.996 -6.877 -7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.152 -6.075 -6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.497 -7.913 -6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 4.067 -8.439 -5.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 4.431 -8.940 -7.027 1.00 0.00 H new ATOM 876 N LEU A 58 -2.416 -4.757 -8.904 1.00 0.00 N ATOM 877 CA LEU A 58 -3.576 -5.019 -9.745 1.00 0.00 C ATOM 878 C LEU A 58 -3.108 -5.342 -11.158 1.00 0.00 C ATOM 879 O LEU A 58 -2.445 -4.523 -11.794 1.00 0.00 O ATOM 880 CB LEU A 58 -4.536 -3.827 -9.697 1.00 0.00 C ATOM 881 CG LEU A 58 -5.879 -4.148 -10.376 1.00 0.00 C ATOM 882 CD1 LEU A 58 -6.988 -3.373 -9.671 1.00 0.00 C ATOM 883 CD2 LEU A 58 -5.894 -3.754 -11.858 1.00 0.00 C ATOM 0 H LEU A 58 -1.751 -4.100 -9.311 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.128 -5.883 -9.376 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.712 -3.543 -8.659 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.076 -2.970 -10.188 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.030 -5.225 -10.306 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.944 -3.594 -10.145 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.027 -3.666 -8.622 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.786 -2.304 -9.741 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.863 -4.001 -12.290 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.718 -2.682 -11.951 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.111 -4.298 -12.387 1.00 0.00 H new ATOM 895 N ASN A 59 -3.447 -6.539 -11.650 1.00 0.00 N ATOM 896 CA ASN A 59 -3.077 -6.955 -12.992 1.00 0.00 C ATOM 897 C ASN A 59 -4.110 -6.421 -13.988 1.00 0.00 C ATOM 898 O ASN A 59 -5.261 -6.866 -13.984 1.00 0.00 O ATOM 899 CB ASN A 59 -2.964 -8.473 -13.088 1.00 0.00 C ATOM 900 CG ASN A 59 -2.484 -8.819 -14.490 1.00 0.00 C ATOM 901 OD1 ASN A 59 -3.282 -8.905 -15.416 1.00 0.00 O ATOM 902 ND2 ASN A 59 -1.181 -8.971 -14.680 1.00 0.00 N ATOM 0 H ASN A 59 -3.980 -7.235 -11.129 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.097 -6.542 -13.233 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.266 -8.851 -12.342 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.928 -8.941 -12.889 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.821 -9.165 -15.615 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.538 -8.894 -13.892 1.00 0.00 H new ATOM 909 N ILE A 60 -3.703 -5.462 -14.818 1.00 0.00 N ATOM 910 CA ILE A 60 -4.583 -4.808 -15.779 1.00 0.00 C ATOM 911 C ILE A 60 -5.102 -5.759 -16.859 1.00 0.00 C ATOM 912 O ILE A 60 -6.248 -5.633 -17.275 1.00 0.00 O ATOM 913 CB ILE A 60 -3.913 -3.556 -16.374 1.00 0.00 C ATOM 914 CG1 ILE A 60 -2.642 -3.867 -17.188 1.00 0.00 C ATOM 915 CG2 ILE A 60 -3.592 -2.563 -15.249 1.00 0.00 C ATOM 916 CD1 ILE A 60 -2.906 -3.872 -18.696 1.00 0.00 C ATOM 0 H ILE A 60 -2.744 -5.116 -14.841 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.467 -4.483 -15.231 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.624 -3.119 -17.076 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.875 -3.127 -16.958 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.249 -4.838 -16.887 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.118 -1.677 -15.670 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.514 -2.276 -14.743 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.916 -3.030 -14.533 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.981 -4.096 -19.227 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.652 -4.630 -18.932 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.273 -2.893 -19.004 1.00 0.00 H new ATOM 928 N ASP A 61 -4.291 -6.712 -17.327 1.00 0.00 N ATOM 929 CA ASP A 61 -4.720 -7.644 -18.372 1.00 0.00 C ATOM 930 C ASP A 61 -5.926 -8.443 -17.885 1.00 0.00 C ATOM 931 O ASP A 61 -6.920 -8.597 -18.589 1.00 0.00 O ATOM 932 CB ASP A 61 -3.583 -8.591 -18.775 1.00 0.00 C ATOM 933 CG ASP A 61 -2.303 -7.843 -19.115 1.00 0.00 C ATOM 934 OD1 ASP A 61 -1.671 -7.368 -18.148 1.00 0.00 O ATOM 935 OD2 ASP A 61 -1.979 -7.746 -20.320 1.00 0.00 O ATOM 0 H ASP A 61 -3.336 -6.858 -16.999 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.000 -7.067 -19.253 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.388 -9.289 -17.961 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.894 -9.184 -19.635 1.00 0.00 H new ATOM 940 N GLN A 62 -5.815 -8.948 -16.656 1.00 0.00 N ATOM 941 CA GLN A 62 -6.847 -9.728 -15.997 1.00 0.00 C ATOM 942 C GLN A 62 -8.027 -8.835 -15.608 1.00 0.00 C ATOM 943 O GLN A 62 -9.160 -9.307 -15.554 1.00 0.00 O ATOM 944 CB GLN A 62 -6.239 -10.407 -14.764 1.00 0.00 C ATOM 945 CG GLN A 62 -5.167 -11.442 -15.148 1.00 0.00 C ATOM 946 CD GLN A 62 -4.266 -11.786 -13.964 1.00 0.00 C ATOM 947 OE1 GLN A 62 -4.689 -11.733 -12.814 1.00 0.00 O ATOM 948 NE2 GLN A 62 -3.003 -12.115 -14.221 1.00 0.00 N ATOM 0 H GLN A 62 -4.982 -8.819 -16.082 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.225 -10.491 -16.677 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.798 -9.651 -14.114 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.028 -10.897 -14.193 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.650 -12.348 -15.513 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.561 -11.052 -15.966 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.672 -12.153 -15.185 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.366 -12.329 -13.454 1.00 0.00 H new ATOM 957 N ASN A 63 -7.768 -7.551 -15.324 1.00 0.00 N ATOM 958 CA ASN A 63 -8.785 -6.589 -14.900 1.00 0.00 C ATOM 959 C ASN A 63 -8.747 -5.321 -15.761 1.00 0.00 C ATOM 960 O ASN A 63 -8.316 -4.275 -15.272 1.00 0.00 O ATOM 961 CB ASN A 63 -8.545 -6.235 -13.427 1.00 0.00 C ATOM 962 CG ASN A 63 -8.512 -7.459 -12.530 1.00 0.00 C ATOM 963 OD1 ASN A 63 -9.544 -7.871 -12.005 1.00 0.00 O ATOM 964 ND2 ASN A 63 -7.327 -8.035 -12.340 1.00 0.00 N ATOM 0 H ASN A 63 -6.832 -7.150 -15.384 1.00 0.00 H new ATOM 0 HA ASN A 63 -9.770 -7.039 -15.022 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -7.602 -5.697 -13.336 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.331 -5.561 -13.087 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -7.249 -8.854 -11.737 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -6.497 -7.657 -12.797 1.00 0.00 H new ATOM 971 N PRO A 64 -9.194 -5.375 -17.028 1.00 0.00 N ATOM 972 CA PRO A 64 -9.163 -4.230 -17.927 1.00 0.00 C ATOM 973 C PRO A 64 -9.823 -2.983 -17.337 1.00 0.00 C ATOM 974 O PRO A 64 -9.178 -1.946 -17.224 1.00 0.00 O ATOM 975 CB PRO A 64 -9.846 -4.690 -19.222 1.00 0.00 C ATOM 976 CG PRO A 64 -9.624 -6.201 -19.208 1.00 0.00 C ATOM 977 CD PRO A 64 -9.714 -6.543 -17.722 1.00 0.00 C ATOM 0 HA PRO A 64 -8.134 -3.920 -18.110 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.906 -4.438 -19.231 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.400 -4.224 -20.101 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -10.381 -6.726 -19.790 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.655 -6.471 -19.627 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.743 -6.750 -17.427 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.130 -7.433 -17.487 1.00 0.00 H new ATOM 985 N GLY A 65 -11.110 -3.082 -16.985 1.00 0.00 N ATOM 986 CA GLY A 65 -11.941 -1.996 -16.478 1.00 0.00 C ATOM 987 C GLY A 65 -11.237 -1.029 -15.522 1.00 0.00 C ATOM 988 O GLY A 65 -11.362 0.189 -15.661 1.00 0.00 O ATOM 0 H GLY A 65 -11.619 -3.963 -17.051 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.326 -1.428 -17.325 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.801 -2.427 -15.966 1.00 0.00 H new ATOM 992 N THR A 66 -10.511 -1.560 -14.535 1.00 0.00 N ATOM 993 CA THR A 66 -9.844 -0.741 -13.540 1.00 0.00 C ATOM 994 C THR A 66 -8.820 0.221 -14.153 1.00 0.00 C ATOM 995 O THR A 66 -8.589 1.294 -13.601 1.00 0.00 O ATOM 996 CB THR A 66 -9.242 -1.630 -12.447 1.00 0.00 C ATOM 997 OG1 THR A 66 -9.946 -2.856 -12.386 1.00 0.00 O ATOM 998 CG2 THR A 66 -9.357 -0.932 -11.088 1.00 0.00 C ATOM 0 H THR A 66 -10.374 -2.563 -14.410 1.00 0.00 H new ATOM 0 HA THR A 66 -10.592 -0.098 -13.077 1.00 0.00 H new ATOM 0 HB THR A 66 -8.194 -1.814 -12.682 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.910 -2.680 -12.382 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.927 -1.569 -10.314 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.819 0.015 -11.119 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.407 -0.745 -10.863 1.00 0.00 H new ATOM 1006 N ALA A 67 -8.221 -0.136 -15.295 1.00 0.00 N ATOM 1007 CA ALA A 67 -7.259 0.738 -15.945 1.00 0.00 C ATOM 1008 C ALA A 67 -7.948 2.029 -16.423 1.00 0.00 C ATOM 1009 O ALA A 67 -7.662 3.075 -15.841 1.00 0.00 O ATOM 1010 CB ALA A 67 -6.411 -0.015 -16.982 1.00 0.00 C ATOM 0 H ALA A 67 -8.389 -1.018 -15.779 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.513 1.076 -15.226 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.705 0.675 -17.445 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.864 -0.819 -16.490 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.062 -0.436 -17.748 1.00 0.00 H new ATOM 1016 N PRO A 68 -8.858 2.020 -17.418 1.00 0.00 N ATOM 1017 CA PRO A 68 -9.586 3.218 -17.815 1.00 0.00 C ATOM 1018 C PRO A 68 -10.204 3.953 -16.621 1.00 0.00 C ATOM 1019 O PRO A 68 -10.076 5.173 -16.539 1.00 0.00 O ATOM 1020 CB PRO A 68 -10.667 2.756 -18.798 1.00 0.00 C ATOM 1021 CG PRO A 68 -10.036 1.518 -19.423 1.00 0.00 C ATOM 1022 CD PRO A 68 -9.294 0.902 -18.240 1.00 0.00 C ATOM 0 HA PRO A 68 -8.906 3.937 -18.273 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.603 2.522 -18.291 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.890 3.519 -19.544 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -10.786 0.840 -19.831 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -9.360 1.773 -20.239 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.944 0.233 -17.676 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.443 0.310 -18.578 1.00 0.00 H new ATOM 1030 N LYS A 69 -10.850 3.229 -15.690 1.00 0.00 N ATOM 1031 CA LYS A 69 -11.457 3.832 -14.502 1.00 0.00 C ATOM 1032 C LYS A 69 -10.505 4.804 -13.795 1.00 0.00 C ATOM 1033 O LYS A 69 -10.942 5.863 -13.349 1.00 0.00 O ATOM 1034 CB LYS A 69 -11.912 2.750 -13.513 1.00 0.00 C ATOM 1035 CG LYS A 69 -13.247 2.111 -13.917 1.00 0.00 C ATOM 1036 CD LYS A 69 -13.559 0.834 -13.123 1.00 0.00 C ATOM 1037 CE LYS A 69 -13.472 1.012 -11.603 1.00 0.00 C ATOM 1038 NZ LYS A 69 -13.857 -0.227 -10.901 1.00 0.00 N ATOM 0 H LYS A 69 -10.963 2.217 -15.744 1.00 0.00 H new ATOM 0 HA LYS A 69 -12.323 4.398 -14.846 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.147 1.976 -13.448 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.008 3.187 -12.519 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.050 2.832 -13.767 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -13.225 1.876 -14.981 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.561 0.492 -13.382 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.866 0.050 -13.428 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.456 1.291 -11.324 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -14.124 1.828 -11.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.538 -0.179 -9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.891 -0.334 -10.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.413 -1.043 -11.369 1.00 0.00 H new ATOM 1130 N ILE A 75 1.961 1.802 -17.332 1.00 0.00 N ATOM 1131 CA ILE A 75 2.311 1.040 -16.139 1.00 0.00 C ATOM 1132 C ILE A 75 3.845 0.926 -16.089 1.00 0.00 C ATOM 1133 O ILE A 75 4.464 0.993 -17.153 1.00 0.00 O ATOM 1134 CB ILE A 75 1.646 -0.354 -16.181 1.00 0.00 C ATOM 1135 CG1 ILE A 75 1.943 -1.082 -17.504 1.00 0.00 C ATOM 1136 CG2 ILE A 75 0.135 -0.256 -15.932 1.00 0.00 C ATOM 1137 CD1 ILE A 75 1.362 -2.494 -17.526 1.00 0.00 C ATOM 0 HA ILE A 75 1.950 1.541 -15.241 1.00 0.00 H new ATOM 0 HB ILE A 75 2.080 -0.946 -15.376 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.531 -0.508 -18.334 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.021 -1.132 -17.656 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.305 -1.253 -15.968 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.044 0.185 -14.951 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.320 0.369 -16.700 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.596 -2.969 -18.479 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.794 -3.078 -16.713 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.280 -2.444 -17.402 1.00 0.00 H new ATOM 1149 N PRO A 76 4.481 0.755 -14.915 1.00 0.00 N ATOM 1150 CA PRO A 76 3.881 0.684 -13.592 1.00 0.00 C ATOM 1151 C PRO A 76 3.312 2.047 -13.214 1.00 0.00 C ATOM 1152 O PRO A 76 3.877 3.074 -13.580 1.00 0.00 O ATOM 1153 CB PRO A 76 5.011 0.305 -12.629 1.00 0.00 C ATOM 1154 CG PRO A 76 6.265 0.812 -13.337 1.00 0.00 C ATOM 1155 CD PRO A 76 5.925 0.638 -14.817 1.00 0.00 C ATOM 0 HA PRO A 76 3.069 -0.043 -13.557 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.882 0.775 -11.654 1.00 0.00 H new ATOM 0 HB3 PRO A 76 5.052 -0.771 -12.461 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.473 1.853 -13.091 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.147 0.236 -13.056 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.419 1.398 -15.422 1.00 0.00 H new ATOM 0 HD3 PRO A 76 6.263 -0.331 -15.183 1.00 0.00 H new ATOM 1163 N THR A 77 2.196 2.041 -12.489 1.00 0.00 N ATOM 1164 CA THR A 77 1.532 3.247 -12.028 1.00 0.00 C ATOM 1165 C THR A 77 1.078 2.957 -10.602 1.00 0.00 C ATOM 1166 O THR A 77 0.464 1.915 -10.363 1.00 0.00 O ATOM 1167 CB THR A 77 0.403 3.617 -12.997 1.00 0.00 C ATOM 1168 OG1 THR A 77 0.978 3.982 -14.234 1.00 0.00 O ATOM 1169 CG2 THR A 77 -0.413 4.802 -12.488 1.00 0.00 C ATOM 0 H THR A 77 1.724 1.183 -12.204 1.00 0.00 H new ATOM 0 HA THR A 77 2.180 4.123 -12.012 1.00 0.00 H new ATOM 0 HB THR A 77 -0.258 2.756 -13.094 1.00 0.00 H new ATOM 0 HG1 THR A 77 0.269 4.220 -14.867 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.203 5.033 -13.202 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.857 4.551 -11.525 1.00 0.00 H new ATOM 0 HG23 THR A 77 0.237 5.669 -12.373 1.00 0.00 H new ATOM 1177 N LEU A 78 1.433 3.841 -9.667 1.00 0.00 N ATOM 1178 CA LEU A 78 1.209 3.689 -8.240 1.00 0.00 C ATOM 1179 C LEU A 78 0.182 4.719 -7.780 1.00 0.00 C ATOM 1180 O LEU A 78 0.482 5.912 -7.798 1.00 0.00 O ATOM 1181 CB LEU A 78 2.537 3.906 -7.493 1.00 0.00 C ATOM 1182 CG LEU A 78 3.737 3.106 -8.035 1.00 0.00 C ATOM 1183 CD1 LEU A 78 4.971 3.409 -7.180 1.00 0.00 C ATOM 1184 CD2 LEU A 78 3.477 1.598 -8.019 1.00 0.00 C ATOM 0 H LEU A 78 1.903 4.716 -9.900 1.00 0.00 H new ATOM 0 HA LEU A 78 0.835 2.688 -8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.784 4.967 -7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.392 3.645 -6.445 1.00 0.00 H new ATOM 0 HG LEU A 78 3.898 3.408 -9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.824 2.845 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.192 4.475 -7.225 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.777 3.122 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.349 1.074 -8.410 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.286 1.273 -6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.610 1.372 -8.640 1.00 0.00 H new ATOM 1196 N LEU A 79 -1.008 4.281 -7.359 1.00 0.00 N ATOM 1197 CA LEU A 79 -2.047 5.167 -6.841 1.00 0.00 C ATOM 1198 C LEU A 79 -2.104 4.984 -5.327 1.00 0.00 C ATOM 1199 O LEU A 79 -2.361 3.873 -4.863 1.00 0.00 O ATOM 1200 CB LEU A 79 -3.417 4.843 -7.447 1.00 0.00 C ATOM 1201 CG LEU A 79 -3.704 5.556 -8.774 1.00 0.00 C ATOM 1202 CD1 LEU A 79 -2.760 5.133 -9.895 1.00 0.00 C ATOM 1203 CD2 LEU A 79 -5.161 5.344 -9.188 1.00 0.00 C ATOM 0 H LEU A 79 -1.276 3.297 -7.369 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.806 6.196 -7.107 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.487 3.767 -7.604 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.192 5.111 -6.729 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.527 6.618 -8.605 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.014 5.672 -10.808 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.733 5.363 -9.612 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.858 4.061 -10.068 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.349 5.856 -10.132 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.353 4.278 -9.309 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.820 5.747 -8.419 1.00 0.00 H new ATOM 1215 N LEU A 80 -1.872 6.057 -4.564 1.00 0.00 N ATOM 1216 CA LEU A 80 -1.893 6.020 -3.109 1.00 0.00 C ATOM 1217 C LEU A 80 -3.246 6.529 -2.611 1.00 0.00 C ATOM 1218 O LEU A 80 -3.503 7.731 -2.613 1.00 0.00 O ATOM 1219 CB LEU A 80 -0.683 6.792 -2.579 1.00 0.00 C ATOM 1220 CG LEU A 80 -0.574 6.888 -1.047 1.00 0.00 C ATOM 1221 CD1 LEU A 80 -0.965 5.605 -0.305 1.00 0.00 C ATOM 1222 CD2 LEU A 80 0.882 7.204 -0.701 1.00 0.00 C ATOM 0 H LEU A 80 -1.664 6.979 -4.947 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.799 5.005 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.222 6.320 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.712 7.802 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.273 7.661 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.860 5.759 0.769 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.000 5.352 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.314 4.790 -0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.991 7.278 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.526 6.409 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.168 8.150 -1.160 1.00 0.00 H new ATOM 1234 N PHE A 81 -4.103 5.598 -2.182 1.00 0.00 N ATOM 1235 CA PHE A 81 -5.442 5.831 -1.670 1.00 0.00 C ATOM 1236 C PHE A 81 -5.403 5.886 -0.143 1.00 0.00 C ATOM 1237 O PHE A 81 -5.335 4.841 0.504 1.00 0.00 O ATOM 1238 CB PHE A 81 -6.371 4.682 -2.092 1.00 0.00 C ATOM 1239 CG PHE A 81 -6.677 4.576 -3.574 1.00 0.00 C ATOM 1240 CD1 PHE A 81 -5.776 3.922 -4.433 1.00 0.00 C ATOM 1241 CD2 PHE A 81 -7.938 4.967 -4.061 1.00 0.00 C ATOM 1242 CE1 PHE A 81 -6.134 3.673 -5.769 1.00 0.00 C ATOM 1243 CE2 PHE A 81 -8.280 4.749 -5.405 1.00 0.00 C ATOM 1244 CZ PHE A 81 -7.358 4.141 -6.271 1.00 0.00 C ATOM 0 H PHE A 81 -3.860 4.607 -2.186 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.813 6.774 -2.072 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.923 3.743 -1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.313 4.789 -1.555 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.809 3.611 -4.066 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -8.647 5.438 -3.396 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -5.465 3.120 -6.411 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.251 5.049 -5.772 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.590 4.034 -7.320 1.00 0.00 H new ATOM 1297 N GLU A 85 -9.325 7.858 -0.523 1.00 0.00 N ATOM 1298 CA GLU A 85 -9.028 9.160 -1.101 1.00 0.00 C ATOM 1299 C GLU A 85 -7.678 9.117 -1.820 1.00 0.00 C ATOM 1300 O GLU A 85 -6.643 9.029 -1.163 1.00 0.00 O ATOM 1301 CB GLU A 85 -9.022 10.233 -0.002 1.00 0.00 C ATOM 1302 CG GLU A 85 -10.327 10.242 0.805 1.00 0.00 C ATOM 1303 CD GLU A 85 -10.347 11.394 1.805 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -9.579 11.309 2.787 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -11.119 12.345 1.561 1.00 0.00 O ATOM 0 HA GLU A 85 -9.799 9.414 -1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.182 10.058 0.670 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.869 11.213 -0.454 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.176 10.330 0.128 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.438 9.295 1.334 1.00 0.00 H new ATOM 1312 N VAL A 86 -7.674 9.186 -3.157 1.00 0.00 N ATOM 1313 CA VAL A 86 -6.437 9.225 -3.931 1.00 0.00 C ATOM 1314 C VAL A 86 -5.643 10.469 -3.516 1.00 0.00 C ATOM 1315 O VAL A 86 -5.999 11.584 -3.891 1.00 0.00 O ATOM 1316 CB VAL A 86 -6.750 9.225 -5.440 1.00 0.00 C ATOM 1317 CG1 VAL A 86 -5.459 9.322 -6.264 1.00 0.00 C ATOM 1318 CG2 VAL A 86 -7.472 7.935 -5.848 1.00 0.00 C ATOM 0 H VAL A 86 -8.522 9.216 -3.724 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.835 8.339 -3.730 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.386 10.088 -5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.704 9.320 -7.326 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.936 10.245 -6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.818 8.470 -6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.682 7.958 -6.917 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -6.840 7.077 -5.621 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -8.408 7.852 -5.296 1.00 0.00 H new ATOM 1328 N ALA A 87 -4.575 10.281 -2.738 1.00 0.00 N ATOM 1329 CA ALA A 87 -3.730 11.360 -2.252 1.00 0.00 C ATOM 1330 C ALA A 87 -2.761 11.795 -3.346 1.00 0.00 C ATOM 1331 O ALA A 87 -2.590 12.988 -3.587 1.00 0.00 O ATOM 1332 CB ALA A 87 -2.984 10.902 -0.999 1.00 0.00 C ATOM 0 H ALA A 87 -4.273 9.358 -2.426 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.346 12.219 -1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.351 11.712 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.703 10.629 -0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.365 10.038 -1.240 1.00 0.00 H new ATOM 1338 N ALA A 88 -2.135 10.827 -4.023 1.00 0.00 N ATOM 1339 CA ALA A 88 -1.205 11.092 -5.108 1.00 0.00 C ATOM 1340 C ALA A 88 -1.104 9.862 -6.001 1.00 0.00 C ATOM 1341 O ALA A 88 -1.425 8.748 -5.577 1.00 0.00 O ATOM 1342 CB ALA A 88 0.170 11.475 -4.557 1.00 0.00 C ATOM 0 H ALA A 88 -2.265 9.834 -3.827 1.00 0.00 H new ATOM 0 HA ALA A 88 -1.574 11.931 -5.698 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.852 11.670 -5.385 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.079 12.371 -3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.559 10.658 -3.950 1.00 0.00 H new ATOM 1348 N THR A 89 -0.663 10.083 -7.241 1.00 0.00 N ATOM 1349 CA THR A 89 -0.518 9.058 -8.257 1.00 0.00 C ATOM 1350 C THR A 89 0.835 9.230 -8.937 1.00 0.00 C ATOM 1351 O THR A 89 1.095 10.319 -9.451 1.00 0.00 O ATOM 1352 CB THR A 89 -1.658 9.196 -9.277 1.00 0.00 C ATOM 1353 OG1 THR A 89 -1.566 10.412 -9.996 1.00 0.00 O ATOM 1354 CG2 THR A 89 -3.022 9.219 -8.581 1.00 0.00 C ATOM 0 H THR A 89 -0.391 11.010 -7.568 1.00 0.00 H new ATOM 0 HA THR A 89 -0.568 8.065 -7.810 1.00 0.00 H new ATOM 0 HB THR A 89 -1.567 8.339 -9.944 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.663 10.781 -9.900 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.810 9.318 -9.328 1.00 0.00 H new ATOM 0 HG22 THR A 89 -3.163 8.292 -8.025 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.066 10.064 -7.894 1.00 0.00 H new ATOM 1362 N LYS A 90 1.676 8.194 -8.974 1.00 0.00 N ATOM 1363 CA LYS A 90 2.972 8.256 -9.638 1.00 0.00 C ATOM 1364 C LYS A 90 2.939 7.307 -10.834 1.00 0.00 C ATOM 1365 O LYS A 90 2.773 6.104 -10.654 1.00 0.00 O ATOM 1366 CB LYS A 90 4.092 7.927 -8.638 1.00 0.00 C ATOM 1367 CG LYS A 90 5.468 8.421 -9.112 1.00 0.00 C ATOM 1368 CD LYS A 90 6.156 7.452 -10.087 1.00 0.00 C ATOM 1369 CE LYS A 90 7.404 8.075 -10.720 1.00 0.00 C ATOM 1370 NZ LYS A 90 7.058 9.118 -11.701 1.00 0.00 N ATOM 0 H LYS A 90 1.474 7.291 -8.544 1.00 0.00 H new ATOM 0 HA LYS A 90 3.180 9.260 -10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.859 8.380 -7.674 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.130 6.849 -8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.352 9.391 -9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.111 8.572 -8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.433 6.540 -9.558 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.455 7.166 -10.871 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.032 8.504 -9.939 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.991 7.297 -11.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.919 9.432 -12.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.385 8.733 -12.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.625 9.926 -11.210 1.00 0.00 H new ATOM 1384 N VAL A 91 3.100 7.847 -12.044 1.00 0.00 N ATOM 1385 CA VAL A 91 3.141 7.084 -13.284 1.00 0.00 C ATOM 1386 C VAL A 91 4.613 6.823 -13.615 1.00 0.00 C ATOM 1387 O VAL A 91 5.412 7.759 -13.604 1.00 0.00 O ATOM 1388 CB VAL A 91 2.449 7.878 -14.409 1.00 0.00 C ATOM 1389 CG1 VAL A 91 2.483 7.103 -15.735 1.00 0.00 C ATOM 1390 CG2 VAL A 91 0.986 8.182 -14.060 1.00 0.00 C ATOM 0 H VAL A 91 3.208 8.851 -12.187 1.00 0.00 H new ATOM 0 HA VAL A 91 2.613 6.136 -13.181 1.00 0.00 H new ATOM 0 HB VAL A 91 2.998 8.813 -14.516 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.988 7.687 -16.511 1.00 0.00 H new ATOM 0 HG12 VAL A 91 3.518 6.921 -16.023 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.967 6.151 -15.613 1.00 0.00 H new ATOM 0 HG21 VAL A 91 0.527 8.743 -14.874 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.445 7.247 -13.913 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.945 8.772 -13.145 1.00 0.00 H new ATOM 1400 N GLY A 92 4.972 5.570 -13.896 1.00 0.00 N ATOM 1401 CA GLY A 92 6.331 5.167 -14.224 1.00 0.00 C ATOM 1402 C GLY A 92 7.079 4.657 -12.991 1.00 0.00 C ATOM 1403 O GLY A 92 6.658 4.868 -11.855 1.00 0.00 O ATOM 0 H GLY A 92 4.309 4.795 -13.901 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.306 4.386 -14.984 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.869 6.013 -14.653 1.00 0.00 H new ATOM 1407 N ALA A 93 8.204 3.975 -13.227 1.00 0.00 N ATOM 1408 CA ALA A 93 9.045 3.442 -12.164 1.00 0.00 C ATOM 1409 C ALA A 93 9.772 4.584 -11.444 1.00 0.00 C ATOM 1410 O ALA A 93 9.846 5.700 -11.955 1.00 0.00 O ATOM 1411 CB ALA A 93 10.040 2.437 -12.753 1.00 0.00 C ATOM 0 H ALA A 93 8.553 3.779 -14.165 1.00 0.00 H new ATOM 0 HA ALA A 93 8.425 2.925 -11.432 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.669 2.039 -11.957 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.495 1.621 -13.228 1.00 0.00 H new ATOM 0 HB3 ALA A 93 10.665 2.935 -13.494 1.00 0.00 H new ATOM 1417 N LEU A 94 10.322 4.300 -10.263 1.00 0.00 N ATOM 1418 CA LEU A 94 11.043 5.259 -9.444 1.00 0.00 C ATOM 1419 C LEU A 94 11.985 4.501 -8.513 1.00 0.00 C ATOM 1420 O LEU A 94 11.807 3.301 -8.306 1.00 0.00 O ATOM 1421 CB LEU A 94 10.064 6.159 -8.671 1.00 0.00 C ATOM 1422 CG LEU A 94 9.333 5.511 -7.480 1.00 0.00 C ATOM 1423 CD1 LEU A 94 8.401 6.552 -6.850 1.00 0.00 C ATOM 1424 CD2 LEU A 94 8.496 4.282 -7.858 1.00 0.00 C ATOM 0 H LEU A 94 10.274 3.371 -9.844 1.00 0.00 H new ATOM 0 HA LEU A 94 11.637 5.918 -10.077 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.614 7.026 -8.304 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.315 6.530 -9.371 1.00 0.00 H new ATOM 0 HG LEU A 94 10.104 5.172 -6.789 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.876 6.107 -6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.987 7.404 -6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 94 7.676 6.887 -7.591 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.013 3.883 -6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.736 4.569 -8.585 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.144 3.520 -8.292 1.00 0.00 H new ATOM 1436 N SER A 95 12.988 5.187 -7.962 1.00 0.00 N ATOM 1437 CA SER A 95 13.936 4.565 -7.051 1.00 0.00 C ATOM 1438 C SER A 95 13.281 4.292 -5.698 1.00 0.00 C ATOM 1439 O SER A 95 12.271 4.899 -5.342 1.00 0.00 O ATOM 1440 CB SER A 95 15.153 5.477 -6.863 1.00 0.00 C ATOM 1441 OG SER A 95 14.756 6.693 -6.258 1.00 0.00 O ATOM 0 H SER A 95 13.161 6.177 -8.135 1.00 0.00 H new ATOM 0 HA SER A 95 14.258 3.616 -7.480 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.899 4.979 -6.243 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.621 5.676 -7.827 1.00 0.00 H new ATOM 0 HG SER A 95 14.392 7.294 -6.941 1.00 0.00 H new ATOM 1447 N LYS A 96 13.904 3.411 -4.909 1.00 0.00 N ATOM 1448 CA LYS A 96 13.463 3.124 -3.555 1.00 0.00 C ATOM 1449 C LYS A 96 13.430 4.426 -2.744 1.00 0.00 C ATOM 1450 O LYS A 96 12.499 4.659 -1.978 1.00 0.00 O ATOM 1451 CB LYS A 96 14.397 2.064 -2.954 1.00 0.00 C ATOM 1452 CG LYS A 96 13.973 1.635 -1.546 1.00 0.00 C ATOM 1453 CD LYS A 96 14.811 0.422 -1.114 1.00 0.00 C ATOM 1454 CE LYS A 96 14.452 -0.066 0.292 1.00 0.00 C ATOM 1455 NZ LYS A 96 13.019 -0.382 0.405 1.00 0.00 N ATOM 0 H LYS A 96 14.727 2.881 -5.198 1.00 0.00 H new ATOM 0 HA LYS A 96 12.451 2.720 -3.541 1.00 0.00 H new ATOM 0 HB2 LYS A 96 14.416 1.190 -3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 96 15.413 2.458 -2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 96 14.113 2.457 -0.845 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.913 1.383 -1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.663 -0.390 -1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 96 15.868 0.685 -1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.041 -0.951 0.532 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.715 0.699 1.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 12.846 -0.896 1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 12.468 0.500 0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.729 -0.974 -0.400 1.00 0.00 H new ATOM 1469 N GLY A 97 14.433 5.289 -2.942 1.00 0.00 N ATOM 1470 CA GLY A 97 14.513 6.587 -2.289 1.00 0.00 C ATOM 1471 C GLY A 97 13.296 7.442 -2.641 1.00 0.00 C ATOM 1472 O GLY A 97 12.588 7.912 -1.751 1.00 0.00 O ATOM 0 H GLY A 97 15.216 5.098 -3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 97 14.570 6.454 -1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.425 7.099 -2.596 1.00 0.00 H new ATOM 1476 N GLN A 98 13.036 7.631 -3.941 1.00 0.00 N ATOM 1477 CA GLN A 98 11.880 8.401 -4.390 1.00 0.00 C ATOM 1478 C GLN A 98 10.591 7.806 -3.818 1.00 0.00 C ATOM 1479 O GLN A 98 9.721 8.543 -3.359 1.00 0.00 O ATOM 1480 CB GLN A 98 11.814 8.427 -5.918 1.00 0.00 C ATOM 1481 CG GLN A 98 12.888 9.329 -6.532 1.00 0.00 C ATOM 1482 CD GLN A 98 13.014 9.039 -8.023 1.00 0.00 C ATOM 1483 OE1 GLN A 98 13.496 7.970 -8.394 1.00 0.00 O ATOM 1484 NE2 GLN A 98 12.574 9.951 -8.882 1.00 0.00 N ATOM 0 H GLN A 98 13.613 7.260 -4.696 1.00 0.00 H new ATOM 0 HA GLN A 98 11.986 9.424 -4.029 1.00 0.00 H new ATOM 0 HB2 GLN A 98 11.931 7.414 -6.302 1.00 0.00 H new ATOM 0 HB3 GLN A 98 10.829 8.774 -6.231 1.00 0.00 H new ATOM 0 HG2 GLN A 98 12.629 10.376 -6.376 1.00 0.00 H new ATOM 0 HG3 GLN A 98 13.844 9.160 -6.037 1.00 0.00 H new ATOM 0 HE21 GLN A 98 12.180 10.827 -8.539 1.00 0.00 H new ATOM 0 HE22 GLN A 98 12.630 9.776 -9.885 1.00 0.00 H new ATOM 1493 N LEU A 99 10.463 6.477 -3.842 1.00 0.00 N ATOM 1494 CA LEU A 99 9.291 5.810 -3.306 1.00 0.00 C ATOM 1495 C LEU A 99 9.131 6.151 -1.822 1.00 0.00 C ATOM 1496 O LEU A 99 8.079 6.642 -1.424 1.00 0.00 O ATOM 1497 CB LEU A 99 9.360 4.302 -3.581 1.00 0.00 C ATOM 1498 CG LEU A 99 8.137 3.517 -3.081 1.00 0.00 C ATOM 1499 CD1 LEU A 99 6.809 4.053 -3.627 1.00 0.00 C ATOM 1500 CD2 LEU A 99 8.289 2.056 -3.512 1.00 0.00 C ATOM 0 H LEU A 99 11.164 5.846 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 99 8.394 6.170 -3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.466 4.144 -4.654 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.256 3.898 -3.109 1.00 0.00 H new ATOM 0 HG LEU A 99 8.105 3.623 -1.997 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.987 3.454 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.681 5.091 -3.319 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.813 3.995 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.429 1.483 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 99 8.347 2.002 -4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 99 9.199 1.642 -3.079 1.00 0.00 H new ATOM 1512 N LYS A 100 10.167 5.941 -1.005 1.00 0.00 N ATOM 1513 CA LYS A 100 10.117 6.286 0.412 1.00 0.00 C ATOM 1514 C LYS A 100 9.713 7.749 0.599 1.00 0.00 C ATOM 1515 O LYS A 100 8.827 8.043 1.399 1.00 0.00 O ATOM 1516 CB LYS A 100 11.458 6.003 1.092 1.00 0.00 C ATOM 1517 CG LYS A 100 11.679 4.503 1.305 1.00 0.00 C ATOM 1518 CD LYS A 100 13.010 4.284 2.035 1.00 0.00 C ATOM 1519 CE LYS A 100 13.179 2.823 2.460 1.00 0.00 C ATOM 1520 NZ LYS A 100 12.255 2.453 3.547 1.00 0.00 N ATOM 0 H LYS A 100 11.052 5.532 -1.305 1.00 0.00 H new ATOM 0 HA LYS A 100 9.361 5.660 0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 100 12.267 6.407 0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.494 6.516 2.053 1.00 0.00 H new ATOM 0 HG2 LYS A 100 10.859 4.082 1.887 1.00 0.00 H new ATOM 0 HG3 LYS A 100 11.688 3.985 0.346 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.836 4.573 1.385 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.055 4.928 2.913 1.00 0.00 H new ATOM 0 HE2 LYS A 100 13.007 2.174 1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.206 2.657 2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 12.460 1.483 3.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 12.377 3.109 4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.275 2.505 3.203 1.00 0.00 H new ATOM 1534 N GLU A 101 10.351 8.662 -0.139 1.00 0.00 N ATOM 1535 CA GLU A 101 10.052 10.086 -0.079 1.00 0.00 C ATOM 1536 C GLU A 101 8.559 10.321 -0.340 1.00 0.00 C ATOM 1537 O GLU A 101 7.877 10.963 0.457 1.00 0.00 O ATOM 1538 CB GLU A 101 10.950 10.814 -1.089 1.00 0.00 C ATOM 1539 CG GLU A 101 10.793 12.336 -1.025 1.00 0.00 C ATOM 1540 CD GLU A 101 11.725 13.025 -2.019 1.00 0.00 C ATOM 1541 OE1 GLU A 101 11.556 12.761 -3.229 1.00 0.00 O ATOM 1542 OE2 GLU A 101 12.591 13.794 -1.550 1.00 0.00 O ATOM 0 H GLU A 101 11.094 8.427 -0.798 1.00 0.00 H new ATOM 0 HA GLU A 101 10.261 10.486 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.991 10.551 -0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.712 10.470 -2.095 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.760 12.608 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.010 12.685 -0.016 1.00 0.00 H new ATOM 1549 N PHE A 102 8.054 9.785 -1.452 1.00 0.00 N ATOM 1550 CA PHE A 102 6.656 9.887 -1.855 1.00 0.00 C ATOM 1551 C PHE A 102 5.736 9.372 -0.744 1.00 0.00 C ATOM 1552 O PHE A 102 4.804 10.063 -0.327 1.00 0.00 O ATOM 1553 CB PHE A 102 6.467 9.110 -3.165 1.00 0.00 C ATOM 1554 CG PHE A 102 5.040 9.017 -3.674 1.00 0.00 C ATOM 1555 CD1 PHE A 102 4.537 9.992 -4.553 1.00 0.00 C ATOM 1556 CD2 PHE A 102 4.263 7.878 -3.377 1.00 0.00 C ATOM 1557 CE1 PHE A 102 3.288 9.807 -5.174 1.00 0.00 C ATOM 1558 CE2 PHE A 102 3.009 7.702 -3.984 1.00 0.00 C ATOM 1559 CZ PHE A 102 2.529 8.655 -4.899 1.00 0.00 C ATOM 0 H PHE A 102 8.623 9.255 -2.112 1.00 0.00 H new ATOM 0 HA PHE A 102 6.388 10.930 -2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.079 9.579 -3.936 1.00 0.00 H new ATOM 0 HB3 PHE A 102 6.850 8.099 -3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.111 10.885 -4.752 1.00 0.00 H new ATOM 0 HD2 PHE A 102 4.633 7.140 -2.681 1.00 0.00 H new ATOM 0 HE1 PHE A 102 2.912 10.550 -5.862 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.413 6.833 -3.747 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.579 8.503 -5.390 1.00 0.00 H new ATOM 1569 N LEU A 103 5.998 8.155 -0.260 1.00 0.00 N ATOM 1570 CA LEU A 103 5.209 7.539 0.795 1.00 0.00 C ATOM 1571 C LEU A 103 5.193 8.432 2.031 1.00 0.00 C ATOM 1572 O LEU A 103 4.122 8.780 2.516 1.00 0.00 O ATOM 1573 CB LEU A 103 5.758 6.148 1.138 1.00 0.00 C ATOM 1574 CG LEU A 103 5.587 5.130 -0.001 1.00 0.00 C ATOM 1575 CD1 LEU A 103 6.308 3.836 0.385 1.00 0.00 C ATOM 1576 CD2 LEU A 103 4.113 4.867 -0.321 1.00 0.00 C ATOM 0 H LEU A 103 6.766 7.573 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 103 4.185 7.421 0.440 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.816 6.233 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.253 5.775 2.029 1.00 0.00 H new ATOM 0 HG LEU A 103 6.028 5.541 -0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.195 3.104 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 103 7.367 4.042 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.876 3.439 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.040 4.142 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.613 4.473 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.635 5.798 -0.624 1.00 0.00 H new ATOM 1588 N ASP A 104 6.368 8.817 2.531 1.00 0.00 N ATOM 1589 CA ASP A 104 6.487 9.680 3.697 1.00 0.00 C ATOM 1590 C ASP A 104 5.692 10.971 3.496 1.00 0.00 C ATOM 1591 O ASP A 104 4.894 11.349 4.350 1.00 0.00 O ATOM 1592 CB ASP A 104 7.964 9.978 3.973 1.00 0.00 C ATOM 1593 CG ASP A 104 8.112 10.911 5.169 1.00 0.00 C ATOM 1594 OD1 ASP A 104 7.992 10.402 6.304 1.00 0.00 O ATOM 1595 OD2 ASP A 104 8.331 12.118 4.926 1.00 0.00 O ATOM 0 H ASP A 104 7.264 8.536 2.134 1.00 0.00 H new ATOM 0 HA ASP A 104 6.069 9.167 4.563 1.00 0.00 H new ATOM 0 HB2 ASP A 104 8.498 9.047 4.164 1.00 0.00 H new ATOM 0 HB3 ASP A 104 8.419 10.432 3.093 1.00 0.00 H new ATOM 1600 N ALA A 105 5.905 11.640 2.361 1.00 0.00 N ATOM 1601 CA ALA A 105 5.223 12.882 2.028 1.00 0.00 C ATOM 1602 C ALA A 105 3.702 12.715 2.048 1.00 0.00 C ATOM 1603 O ALA A 105 2.995 13.591 2.540 1.00 0.00 O ATOM 1604 CB ALA A 105 5.701 13.383 0.661 1.00 0.00 C ATOM 0 H ALA A 105 6.561 11.329 1.645 1.00 0.00 H new ATOM 0 HA ALA A 105 5.472 13.624 2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.188 14.313 0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.776 13.559 0.694 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.479 12.634 -0.099 1.00 0.00 H new ATOM 1610 N ASN A 106 3.190 11.596 1.527 1.00 0.00 N ATOM 1611 CA ASN A 106 1.749 11.374 1.442 1.00 0.00 C ATOM 1612 C ASN A 106 1.177 10.961 2.796 1.00 0.00 C ATOM 1613 O ASN A 106 0.179 11.527 3.233 1.00 0.00 O ATOM 1614 CB ASN A 106 1.438 10.281 0.418 1.00 0.00 C ATOM 1615 CG ASN A 106 1.363 10.819 -1.005 1.00 0.00 C ATOM 1616 OD1 ASN A 106 0.285 11.158 -1.480 1.00 0.00 O ATOM 1617 ND2 ASN A 106 2.493 10.886 -1.700 1.00 0.00 N ATOM 0 H ASN A 106 3.755 10.831 1.158 1.00 0.00 H new ATOM 0 HA ASN A 106 1.289 12.312 1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 106 2.206 9.509 0.471 1.00 0.00 H new ATOM 0 HB3 ASN A 106 0.491 9.807 0.674 1.00 0.00 H new ATOM 0 HD21 ASN A 106 2.481 11.228 -2.661 1.00 0.00 H new ATOM 0 HD22 ASN A 106 3.372 10.595 -1.273 1.00 0.00 H new ATOM 1624 N LEU A 107 1.785 9.979 3.460 1.00 0.00 N ATOM 1625 CA LEU A 107 1.333 9.511 4.767 1.00 0.00 C ATOM 1626 C LEU A 107 1.388 10.673 5.761 1.00 0.00 C ATOM 1627 O LEU A 107 0.436 10.900 6.505 1.00 0.00 O ATOM 1628 CB LEU A 107 2.195 8.328 5.238 1.00 0.00 C ATOM 1629 CG LEU A 107 2.034 7.065 4.375 1.00 0.00 C ATOM 1630 CD1 LEU A 107 3.162 6.080 4.700 1.00 0.00 C ATOM 1631 CD2 LEU A 107 0.684 6.377 4.605 1.00 0.00 C ATOM 0 H LEU A 107 2.605 9.486 3.106 1.00 0.00 H new ATOM 0 HA LEU A 107 0.304 9.158 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.243 8.629 5.234 1.00 0.00 H new ATOM 0 HB3 LEU A 107 1.936 8.088 6.269 1.00 0.00 H new ATOM 0 HG LEU A 107 2.079 7.371 3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 107 3.050 5.184 4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 107 4.124 6.546 4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 107 3.115 5.809 5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.615 5.490 3.975 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.598 6.085 5.652 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -0.123 7.065 4.352 1.00 0.00 H new ATOM 1643 N ALA A 108 2.503 11.408 5.746 1.00 0.00 N ATOM 1644 CA ALA A 108 2.752 12.580 6.571 1.00 0.00 C ATOM 1645 C ALA A 108 3.216 13.722 5.668 1.00 0.00 C ATOM 1646 O ALA A 108 3.616 14.777 6.156 1.00 0.00 O ATOM 1647 CB ALA A 108 3.804 12.238 7.630 1.00 0.00 C ATOM 0 H ALA A 108 3.286 11.188 5.131 1.00 0.00 H new ATOM 0 HA ALA A 108 1.844 12.892 7.088 1.00 0.00 H new ATOM 0 HB1 ALA A 108 3.994 13.114 8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.440 11.423 8.255 1.00 0.00 H new ATOM 0 HB3 ALA A 108 4.729 11.934 7.139 1.00 0.00 H new