USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 833 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 32 CYS SG : rot 161:sc= 0.81 USER MOD Set 1.2: A 35 CYS SG : rot 69:sc= -0.666 USER MOD Set 2.1: A 8 THR OG1 : rot -37:sc= 1.19 USER MOD Set 2.2: A 11 SER OG : rot 21:sc= 3 USER MOD Single : A 1 SER N :NH3+ -170:sc=-0.00923 (180deg=-0.136) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 170:sc= 1.02 (180deg=0.943) USER MOD Single : A 6 HIS : no HD1:sc= 0.78 K(o=0.78,f=-2.6!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0274 USER MOD Single : A 18 LYS NZ :NH3+ -169:sc=-0.00351 (180deg=-0.114) USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0387) USER MOD Single : A 37 MET CE :methyl -124:sc= -0.0695 (180deg=-0.12) USER MOD Single : A 49 TYR OH : rot 172:sc= 1.23 USER MOD Single : A 50 GLN : amide:sc= 1.14 K(o=1.1,f=-0.0058) USER MOD Single : A 52 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0216) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -172:sc= 0.923 (180deg=0.861) USER MOD Single : A 59 ASN : amide:sc= 1.92 K(o=1.9,f=-9.4!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 63 ASN : amide:sc= 1.46 K(o=1.5,f=-5.7!) USER MOD Single : A 66 THR OG1 : rot -51:sc= 1.28 USER MOD Single : A 69 LYS NZ :NH3+ -158:sc= 1.3 (180deg=0.957) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 128:sc= 1.27 USER MOD Single : A 82 LYS NZ :NH3+ -116:sc= -0.0193 (180deg=-0.803) USER MOD Single : A 83 ASN : amide:sc= 0.857 K(o=0.86,f=-0.12) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 90 LYS NZ :NH3+ 144:sc= 1.78 (180deg=-0.0412) USER MOD Single : A 95 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 96 LYS NZ :NH3+ 173:sc= 0.753 (180deg=0.72) USER MOD Single : A 98 GLN : amide:sc= 0.164 X(o=0.16,f=-0.025) USER MOD Single : A 100 LYS NZ :NH3+ -125:sc= -0.0673 (180deg=-1.04) USER MOD Single : A 106 ASN : amide:sc= 0.321 K(o=0.32,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.262 -3.233 -6.735 1.00 0.00 N ATOM 2 CA SER A 1 -15.799 -1.856 -6.625 1.00 0.00 C ATOM 3 C SER A 1 -14.293 -1.756 -6.864 1.00 0.00 C ATOM 4 O SER A 1 -13.803 -0.747 -7.370 1.00 0.00 O ATOM 5 CB SER A 1 -16.170 -1.303 -5.246 1.00 0.00 C ATOM 6 OG SER A 1 -17.557 -1.467 -5.031 1.00 0.00 O ATOM 0 H1 SER A 1 -17.302 -3.250 -6.737 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.907 -3.649 -7.620 1.00 0.00 H new ATOM 0 H3 SER A 1 -15.908 -3.784 -5.927 1.00 0.00 H new ATOM 0 HA SER A 1 -16.289 -1.259 -7.394 1.00 0.00 H new ATOM 0 HB2 SER A 1 -15.607 -1.822 -4.470 1.00 0.00 H new ATOM 0 HB3 SER A 1 -15.903 -0.248 -5.181 1.00 0.00 H new ATOM 0 HG SER A 1 -17.795 -1.115 -4.148 1.00 0.00 H new ATOM 12 N ASP A 2 -13.546 -2.806 -6.507 1.00 0.00 N ATOM 13 CA ASP A 2 -12.106 -2.836 -6.693 1.00 0.00 C ATOM 14 C ASP A 2 -11.758 -3.041 -8.167 1.00 0.00 C ATOM 15 O ASP A 2 -11.376 -4.133 -8.581 1.00 0.00 O ATOM 16 CB ASP A 2 -11.436 -3.856 -5.754 1.00 0.00 C ATOM 17 CG ASP A 2 -11.740 -5.316 -6.078 1.00 0.00 C ATOM 18 OD1 ASP A 2 -12.945 -5.646 -6.116 1.00 0.00 O ATOM 19 OD2 ASP A 2 -10.758 -6.075 -6.258 1.00 0.00 O ATOM 0 H ASP A 2 -13.928 -3.652 -6.083 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.695 -1.867 -6.410 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -10.357 -3.707 -5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -11.753 -3.651 -4.731 1.00 0.00 H new ATOM 24 N LYS A 3 -11.845 -1.972 -8.964 1.00 0.00 N ATOM 25 CA LYS A 3 -11.457 -1.962 -10.372 1.00 0.00 C ATOM 26 C LYS A 3 -9.926 -1.884 -10.416 1.00 0.00 C ATOM 27 O LYS A 3 -9.355 -0.942 -10.958 1.00 0.00 O ATOM 28 CB LYS A 3 -12.098 -0.753 -11.072 1.00 0.00 C ATOM 29 CG LYS A 3 -13.631 -0.795 -11.045 1.00 0.00 C ATOM 30 CD LYS A 3 -14.188 0.434 -11.773 1.00 0.00 C ATOM 31 CE LYS A 3 -15.720 0.407 -11.789 1.00 0.00 C ATOM 32 NZ LYS A 3 -16.268 1.575 -12.501 1.00 0.00 N ATOM 0 H LYS A 3 -12.195 -1.071 -8.638 1.00 0.00 H new ATOM 0 HA LYS A 3 -11.798 -2.858 -10.890 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -11.756 0.163 -10.591 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -11.758 -0.716 -12.107 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -13.989 -1.707 -11.522 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.987 -0.813 -10.015 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -13.841 1.342 -11.281 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -13.809 0.460 -12.795 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.065 -0.509 -12.269 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -16.096 0.392 -10.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -17.290 1.446 -12.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.102 2.434 -11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -15.799 1.670 -13.424 1.00 0.00 H new ATOM 46 N ILE A 4 -9.273 -2.857 -9.783 1.00 0.00 N ATOM 47 CA ILE A 4 -7.843 -2.913 -9.571 1.00 0.00 C ATOM 48 C ILE A 4 -7.266 -4.134 -10.278 1.00 0.00 C ATOM 49 O ILE A 4 -7.920 -5.171 -10.361 1.00 0.00 O ATOM 50 CB ILE A 4 -7.598 -2.963 -8.048 1.00 0.00 C ATOM 51 CG1 ILE A 4 -8.065 -1.636 -7.417 1.00 0.00 C ATOM 52 CG2 ILE A 4 -6.135 -3.252 -7.699 1.00 0.00 C ATOM 53 CD1 ILE A 4 -7.698 -1.491 -5.937 1.00 0.00 C ATOM 0 H ILE A 4 -9.758 -3.663 -9.388 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.345 -2.037 -9.986 1.00 0.00 H new ATOM 0 HB ILE A 4 -8.177 -3.790 -7.638 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -7.628 -0.807 -7.973 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -9.147 -1.555 -7.523 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.017 -3.276 -6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.845 -4.216 -8.117 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -5.500 -2.470 -8.115 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -8.060 -0.533 -5.565 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -8.158 -2.299 -5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -6.615 -1.538 -5.824 1.00 0.00 H new ATOM 65 N ILE A 5 -6.026 -4.026 -10.760 1.00 0.00 N ATOM 66 CA ILE A 5 -5.329 -5.137 -11.390 1.00 0.00 C ATOM 67 C ILE A 5 -4.607 -5.936 -10.297 1.00 0.00 C ATOM 68 O ILE A 5 -3.619 -5.465 -9.735 1.00 0.00 O ATOM 69 CB ILE A 5 -4.355 -4.623 -12.469 1.00 0.00 C ATOM 70 CG1 ILE A 5 -5.008 -3.640 -13.459 1.00 0.00 C ATOM 71 CG2 ILE A 5 -3.715 -5.801 -13.219 1.00 0.00 C ATOM 72 CD1 ILE A 5 -6.246 -4.188 -14.178 1.00 0.00 C ATOM 0 H ILE A 5 -5.482 -3.164 -10.722 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.038 -5.792 -11.897 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.580 -4.063 -11.946 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.288 -2.734 -12.921 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.268 -3.351 -14.206 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.030 -5.421 -13.977 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.166 -6.426 -12.514 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.494 -6.394 -13.698 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.640 -3.429 -14.854 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.972 -5.076 -14.748 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.008 -4.449 -13.443 1.00 0.00 H new ATOM 84 N HIS A 6 -5.082 -7.143 -9.982 1.00 0.00 N ATOM 85 CA HIS A 6 -4.445 -8.003 -8.989 1.00 0.00 C ATOM 86 C HIS A 6 -3.252 -8.681 -9.665 1.00 0.00 C ATOM 87 O HIS A 6 -3.413 -9.701 -10.331 1.00 0.00 O ATOM 88 CB HIS A 6 -5.441 -9.024 -8.422 1.00 0.00 C ATOM 89 CG HIS A 6 -6.480 -8.407 -7.518 1.00 0.00 C ATOM 90 ND1 HIS A 6 -6.640 -8.651 -6.167 1.00 0.00 N ATOM 91 CD2 HIS A 6 -7.446 -7.521 -7.901 1.00 0.00 C ATOM 92 CE1 HIS A 6 -7.694 -7.928 -5.742 1.00 0.00 C ATOM 93 NE2 HIS A 6 -8.205 -7.240 -6.781 1.00 0.00 N ATOM 0 H HIS A 6 -5.916 -7.548 -10.408 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.100 -7.416 -8.138 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.942 -9.529 -9.248 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.893 -9.786 -7.867 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.590 -7.116 -8.892 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -8.069 -7.904 -4.730 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.013 -6.619 -6.747 1.00 0.00 H new ATOM 102 N LEU A 7 -2.063 -8.096 -9.518 1.00 0.00 N ATOM 103 CA LEU A 7 -0.842 -8.577 -10.142 1.00 0.00 C ATOM 104 C LEU A 7 -0.197 -9.714 -9.358 1.00 0.00 C ATOM 105 O LEU A 7 -0.387 -9.858 -8.150 1.00 0.00 O ATOM 106 CB LEU A 7 0.178 -7.434 -10.209 1.00 0.00 C ATOM 107 CG LEU A 7 -0.222 -6.280 -11.132 1.00 0.00 C ATOM 108 CD1 LEU A 7 0.690 -5.096 -10.814 1.00 0.00 C ATOM 109 CD2 LEU A 7 -0.077 -6.659 -12.608 1.00 0.00 C ATOM 0 H LEU A 7 -1.925 -7.260 -8.951 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.115 -8.941 -11.133 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.332 -7.042 -9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.134 -7.836 -10.544 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.270 -6.031 -10.964 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.431 -4.254 -11.456 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.563 -4.809 -9.770 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.728 -5.379 -10.988 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.370 -5.814 -13.231 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.960 -6.921 -12.816 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.718 -7.513 -12.829 1.00 0.00 H new ATOM 121 N THR A 8 0.640 -10.468 -10.070 1.00 0.00 N ATOM 122 CA THR A 8 1.491 -11.520 -9.550 1.00 0.00 C ATOM 123 C THR A 8 2.877 -11.321 -10.171 1.00 0.00 C ATOM 124 O THR A 8 3.008 -10.616 -11.179 1.00 0.00 O ATOM 125 CB THR A 8 0.913 -12.901 -9.887 1.00 0.00 C ATOM 126 OG1 THR A 8 1.052 -13.166 -11.271 1.00 0.00 O ATOM 127 CG2 THR A 8 -0.559 -13.034 -9.489 1.00 0.00 C ATOM 0 H THR A 8 0.743 -10.349 -11.078 1.00 0.00 H new ATOM 0 HA THR A 8 1.556 -11.471 -8.463 1.00 0.00 H new ATOM 0 HB THR A 8 1.480 -13.630 -9.307 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.915 -12.339 -11.778 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.918 -14.030 -9.750 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.661 -12.881 -8.415 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.148 -12.286 -10.019 1.00 0.00 H new ATOM 135 N ASP A 9 3.908 -11.941 -9.597 1.00 0.00 N ATOM 136 CA ASP A 9 5.276 -11.840 -10.081 1.00 0.00 C ATOM 137 C ASP A 9 5.360 -12.253 -11.552 1.00 0.00 C ATOM 138 O ASP A 9 5.960 -11.555 -12.364 1.00 0.00 O ATOM 139 CB ASP A 9 6.191 -12.712 -9.215 1.00 0.00 C ATOM 140 CG ASP A 9 7.655 -12.473 -9.564 1.00 0.00 C ATOM 141 OD1 ASP A 9 8.188 -11.450 -9.081 1.00 0.00 O ATOM 142 OD2 ASP A 9 8.213 -13.312 -10.300 1.00 0.00 O ATOM 0 H ASP A 9 3.811 -12.534 -8.773 1.00 0.00 H new ATOM 0 HA ASP A 9 5.605 -10.803 -10.009 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.023 -12.489 -8.161 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.944 -13.764 -9.362 1.00 0.00 H new ATOM 147 N ASP A 10 4.726 -13.381 -11.880 1.00 0.00 N ATOM 148 CA ASP A 10 4.682 -13.928 -13.230 1.00 0.00 C ATOM 149 C ASP A 10 4.122 -12.912 -14.228 1.00 0.00 C ATOM 150 O ASP A 10 4.667 -12.737 -15.315 1.00 0.00 O ATOM 151 CB ASP A 10 3.836 -15.206 -13.229 1.00 0.00 C ATOM 152 CG ASP A 10 3.693 -15.776 -14.637 1.00 0.00 C ATOM 153 OD1 ASP A 10 4.637 -16.475 -15.063 1.00 0.00 O ATOM 154 OD2 ASP A 10 2.643 -15.504 -15.255 1.00 0.00 O ATOM 0 H ASP A 10 4.220 -13.947 -11.199 1.00 0.00 H new ATOM 0 HA ASP A 10 5.699 -14.163 -13.545 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.297 -15.949 -12.578 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.849 -14.991 -12.819 1.00 0.00 H new ATOM 159 N SER A 11 3.029 -12.243 -13.859 1.00 0.00 N ATOM 160 CA SER A 11 2.366 -11.293 -14.740 1.00 0.00 C ATOM 161 C SER A 11 3.104 -9.951 -14.780 1.00 0.00 C ATOM 162 O SER A 11 3.035 -9.243 -15.781 1.00 0.00 O ATOM 163 CB SER A 11 0.931 -11.099 -14.234 1.00 0.00 C ATOM 164 OG SER A 11 0.920 -10.941 -12.825 1.00 0.00 O ATOM 0 H SER A 11 2.584 -12.346 -12.947 1.00 0.00 H new ATOM 0 HA SER A 11 2.364 -11.684 -15.757 1.00 0.00 H new ATOM 0 HB2 SER A 11 0.487 -10.224 -14.708 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.321 -11.957 -14.515 1.00 0.00 H new ATOM 0 HG SER A 11 1.807 -10.655 -12.521 1.00 0.00 H new ATOM 170 N PHE A 12 3.774 -9.593 -13.679 1.00 0.00 N ATOM 171 CA PHE A 12 4.470 -8.330 -13.479 1.00 0.00 C ATOM 172 C PHE A 12 5.181 -7.795 -14.722 1.00 0.00 C ATOM 173 O PHE A 12 4.973 -6.650 -15.120 1.00 0.00 O ATOM 174 CB PHE A 12 5.455 -8.478 -12.315 1.00 0.00 C ATOM 175 CG PHE A 12 5.866 -7.152 -11.726 1.00 0.00 C ATOM 176 CD1 PHE A 12 5.059 -6.562 -10.740 1.00 0.00 C ATOM 177 CD2 PHE A 12 6.988 -6.465 -12.222 1.00 0.00 C ATOM 178 CE1 PHE A 12 5.428 -5.334 -10.173 1.00 0.00 C ATOM 179 CE2 PHE A 12 7.316 -5.203 -11.704 1.00 0.00 C ATOM 180 CZ PHE A 12 6.560 -4.658 -10.654 1.00 0.00 C ATOM 0 H PHE A 12 3.845 -10.209 -12.869 1.00 0.00 H new ATOM 0 HA PHE A 12 3.707 -7.586 -13.248 1.00 0.00 H new ATOM 0 HB2 PHE A 12 5.001 -9.091 -11.537 1.00 0.00 H new ATOM 0 HB3 PHE A 12 6.343 -9.008 -12.661 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.153 -7.055 -10.418 1.00 0.00 H new ATOM 0 HD2 PHE A 12 7.595 -6.907 -12.998 1.00 0.00 H new ATOM 0 HE1 PHE A 12 4.844 -4.910 -9.370 1.00 0.00 H new ATOM 0 HE2 PHE A 12 8.150 -4.651 -12.113 1.00 0.00 H new ATOM 0 HZ PHE A 12 6.851 -3.715 -10.215 1.00 0.00 H new ATOM 190 N ASP A 13 6.036 -8.614 -15.340 1.00 0.00 N ATOM 191 CA ASP A 13 6.780 -8.206 -16.524 1.00 0.00 C ATOM 192 C ASP A 13 5.846 -7.612 -17.583 1.00 0.00 C ATOM 193 O ASP A 13 5.967 -6.452 -17.971 1.00 0.00 O ATOM 194 CB ASP A 13 7.552 -9.403 -17.089 1.00 0.00 C ATOM 195 CG ASP A 13 8.151 -9.070 -18.451 1.00 0.00 C ATOM 196 OD1 ASP A 13 9.184 -8.368 -18.461 1.00 0.00 O ATOM 197 OD2 ASP A 13 7.545 -9.501 -19.459 1.00 0.00 O ATOM 0 H ASP A 13 6.228 -9.568 -15.034 1.00 0.00 H new ATOM 0 HA ASP A 13 7.490 -7.430 -16.239 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.345 -9.688 -16.398 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.885 -10.261 -17.180 1.00 0.00 H new ATOM 202 N THR A 14 4.917 -8.428 -18.068 1.00 0.00 N ATOM 203 CA THR A 14 4.015 -8.029 -19.124 1.00 0.00 C ATOM 204 C THR A 14 3.059 -6.924 -18.672 1.00 0.00 C ATOM 205 O THR A 14 2.880 -5.926 -19.364 1.00 0.00 O ATOM 206 CB THR A 14 3.270 -9.279 -19.610 1.00 0.00 C ATOM 207 OG1 THR A 14 4.170 -10.372 -19.629 1.00 0.00 O ATOM 208 CG2 THR A 14 2.687 -9.077 -21.012 1.00 0.00 C ATOM 0 H THR A 14 4.774 -9.382 -17.736 1.00 0.00 H new ATOM 0 HA THR A 14 4.582 -7.600 -19.950 1.00 0.00 H new ATOM 0 HB THR A 14 2.443 -9.474 -18.927 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.702 -11.176 -19.937 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.167 -9.983 -21.324 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.986 -8.242 -20.998 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.493 -8.862 -21.714 1.00 0.00 H new ATOM 216 N ASP A 15 2.416 -7.125 -17.522 1.00 0.00 N ATOM 217 CA ASP A 15 1.383 -6.234 -17.021 1.00 0.00 C ATOM 218 C ASP A 15 1.896 -4.912 -16.458 1.00 0.00 C ATOM 219 O ASP A 15 1.103 -3.981 -16.357 1.00 0.00 O ATOM 220 CB ASP A 15 0.513 -6.961 -15.991 1.00 0.00 C ATOM 221 CG ASP A 15 -0.329 -8.067 -16.620 1.00 0.00 C ATOM 222 OD1 ASP A 15 0.268 -9.097 -17.002 1.00 0.00 O ATOM 223 OD2 ASP A 15 -1.560 -7.868 -16.699 1.00 0.00 O ATOM 0 H ASP A 15 2.603 -7.920 -16.910 1.00 0.00 H new ATOM 0 HA ASP A 15 0.786 -5.958 -17.890 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.151 -7.389 -15.217 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -0.144 -6.242 -15.501 1.00 0.00 H new ATOM 228 N VAL A 16 3.170 -4.818 -16.066 1.00 0.00 N ATOM 229 CA VAL A 16 3.740 -3.593 -15.516 1.00 0.00 C ATOM 230 C VAL A 16 4.893 -3.112 -16.389 1.00 0.00 C ATOM 231 O VAL A 16 4.817 -2.039 -16.986 1.00 0.00 O ATOM 232 CB VAL A 16 4.182 -3.783 -14.051 1.00 0.00 C ATOM 233 CG1 VAL A 16 4.654 -2.455 -13.446 1.00 0.00 C ATOM 234 CG2 VAL A 16 3.032 -4.322 -13.195 1.00 0.00 C ATOM 0 H VAL A 16 3.832 -5.592 -16.123 1.00 0.00 H new ATOM 0 HA VAL A 16 2.966 -2.825 -15.516 1.00 0.00 H new ATOM 0 HB VAL A 16 5.003 -4.500 -14.055 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.961 -2.615 -12.412 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.498 -2.073 -14.020 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.839 -1.732 -13.475 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.371 -4.447 -12.167 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.199 -3.619 -13.220 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.706 -5.285 -13.589 1.00 0.00 H new ATOM 244 N LEU A 17 5.973 -3.892 -16.460 1.00 0.00 N ATOM 245 CA LEU A 17 7.168 -3.463 -17.177 1.00 0.00 C ATOM 246 C LEU A 17 6.897 -3.181 -18.653 1.00 0.00 C ATOM 247 O LEU A 17 7.459 -2.233 -19.196 1.00 0.00 O ATOM 248 CB LEU A 17 8.343 -4.425 -16.949 1.00 0.00 C ATOM 249 CG LEU A 17 8.676 -4.623 -15.458 1.00 0.00 C ATOM 250 CD1 LEU A 17 9.895 -5.543 -15.326 1.00 0.00 C ATOM 251 CD2 LEU A 17 8.974 -3.290 -14.755 1.00 0.00 C ATOM 0 H LEU A 17 6.042 -4.816 -16.033 1.00 0.00 H new ATOM 0 HA LEU A 17 7.470 -2.506 -16.752 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.106 -5.391 -17.395 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.224 -4.043 -17.465 1.00 0.00 H new ATOM 0 HG LEU A 17 7.804 -5.070 -14.980 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.132 -5.684 -14.271 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.673 -6.509 -15.780 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.748 -5.091 -15.832 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.204 -3.475 -13.706 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.827 -2.809 -15.234 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.103 -2.639 -14.826 1.00 0.00 H new ATOM 263 N LYS A 18 6.037 -3.970 -19.304 1.00 0.00 N ATOM 264 CA LYS A 18 5.708 -3.753 -20.710 1.00 0.00 C ATOM 265 C LYS A 18 4.386 -2.991 -20.879 1.00 0.00 C ATOM 266 O LYS A 18 3.840 -2.972 -21.980 1.00 0.00 O ATOM 267 CB LYS A 18 5.710 -5.091 -21.459 1.00 0.00 C ATOM 268 CG LYS A 18 7.092 -5.751 -21.386 1.00 0.00 C ATOM 269 CD LYS A 18 7.102 -7.081 -22.151 1.00 0.00 C ATOM 270 CE LYS A 18 8.494 -7.725 -22.146 1.00 0.00 C ATOM 271 NZ LYS A 18 9.475 -6.929 -22.906 1.00 0.00 N ATOM 0 H LYS A 18 5.558 -4.763 -18.878 1.00 0.00 H new ATOM 0 HA LYS A 18 6.476 -3.118 -21.151 1.00 0.00 H new ATOM 0 HB2 LYS A 18 4.961 -5.756 -21.028 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.433 -4.931 -22.501 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.843 -5.080 -21.804 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.363 -5.923 -20.344 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.382 -7.765 -21.702 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.782 -6.912 -23.179 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.837 -7.837 -21.118 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.432 -8.726 -22.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.346 -7.483 -23.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.078 -6.685 -23.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.694 -6.057 -22.383 1.00 0.00 H new ATOM 285 N ALA A 19 3.868 -2.348 -19.824 1.00 0.00 N ATOM 286 CA ALA A 19 2.615 -1.607 -19.910 1.00 0.00 C ATOM 287 C ALA A 19 2.872 -0.121 -20.145 1.00 0.00 C ATOM 288 O ALA A 19 3.300 0.597 -19.243 1.00 0.00 O ATOM 289 CB ALA A 19 1.791 -1.827 -18.648 1.00 0.00 C ATOM 0 H ALA A 19 4.303 -2.330 -18.902 1.00 0.00 H new ATOM 0 HA ALA A 19 2.049 -1.980 -20.763 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.857 -1.270 -18.721 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.572 -2.889 -18.537 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.353 -1.480 -17.781 1.00 0.00 H new ATOM 295 N ASP A 20 2.577 0.353 -21.356 1.00 0.00 N ATOM 296 CA ASP A 20 2.722 1.741 -21.765 1.00 0.00 C ATOM 297 C ASP A 20 1.610 2.613 -21.179 1.00 0.00 C ATOM 298 O ASP A 20 0.797 3.181 -21.902 1.00 0.00 O ATOM 299 CB ASP A 20 2.796 1.814 -23.293 1.00 0.00 C ATOM 300 CG ASP A 20 1.545 1.304 -24.010 1.00 0.00 C ATOM 301 OD1 ASP A 20 1.125 0.172 -23.686 1.00 0.00 O ATOM 302 OD2 ASP A 20 1.049 2.042 -24.889 1.00 0.00 O ATOM 0 H ASP A 20 2.218 -0.244 -22.101 1.00 0.00 H new ATOM 0 HA ASP A 20 3.653 2.144 -21.366 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.973 2.849 -23.587 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.655 1.235 -23.631 1.00 0.00 H new ATOM 307 N GLY A 21 1.580 2.722 -19.851 1.00 0.00 N ATOM 308 CA GLY A 21 0.594 3.514 -19.128 1.00 0.00 C ATOM 309 C GLY A 21 1.046 3.765 -17.692 1.00 0.00 C ATOM 310 O GLY A 21 2.111 3.294 -17.296 1.00 0.00 O ATOM 0 H GLY A 21 2.251 2.255 -19.241 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.441 4.466 -19.637 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.365 2.996 -19.127 1.00 0.00 H new ATOM 314 N ALA A 22 0.242 4.512 -16.927 1.00 0.00 N ATOM 315 CA ALA A 22 0.490 4.852 -15.531 1.00 0.00 C ATOM 316 C ALA A 22 -0.164 3.808 -14.630 1.00 0.00 C ATOM 317 O ALA A 22 -1.389 3.797 -14.493 1.00 0.00 O ATOM 318 CB ALA A 22 -0.061 6.254 -15.240 1.00 0.00 C ATOM 0 H ALA A 22 -0.629 4.908 -17.280 1.00 0.00 H new ATOM 0 HA ALA A 22 1.562 4.856 -15.332 1.00 0.00 H new ATOM 0 HB1 ALA A 22 0.124 6.508 -14.196 1.00 0.00 H new ATOM 0 HB2 ALA A 22 0.434 6.981 -15.884 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.134 6.271 -15.433 1.00 0.00 H new ATOM 324 N ILE A 23 0.645 2.930 -14.033 1.00 0.00 N ATOM 325 CA ILE A 23 0.188 1.863 -13.161 1.00 0.00 C ATOM 326 C ILE A 23 0.643 2.119 -11.724 1.00 0.00 C ATOM 327 O ILE A 23 1.842 2.121 -11.446 1.00 0.00 O ATOM 328 CB ILE A 23 0.650 0.495 -13.691 1.00 0.00 C ATOM 329 CG1 ILE A 23 0.289 0.371 -15.184 1.00 0.00 C ATOM 330 CG2 ILE A 23 0.029 -0.620 -12.837 1.00 0.00 C ATOM 331 CD1 ILE A 23 0.165 -1.071 -15.669 1.00 0.00 C ATOM 0 H ILE A 23 1.658 2.948 -14.150 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.902 1.847 -13.155 1.00 0.00 H new ATOM 0 HB ILE A 23 1.733 0.399 -13.612 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.654 0.888 -15.365 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.050 0.880 -15.776 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.356 -1.590 -13.212 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.348 -0.505 -11.801 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.058 -0.557 -12.891 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.091 -1.078 -16.729 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.114 -1.587 -15.521 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.616 -1.579 -15.104 1.00 0.00 H new ATOM 343 N LEU A 24 -0.308 2.294 -10.802 1.00 0.00 N ATOM 344 CA LEU A 24 -0.021 2.459 -9.382 1.00 0.00 C ATOM 345 C LEU A 24 -0.034 1.064 -8.770 1.00 0.00 C ATOM 346 O LEU A 24 -1.104 0.542 -8.463 1.00 0.00 O ATOM 347 CB LEU A 24 -1.059 3.377 -8.718 1.00 0.00 C ATOM 348 CG LEU A 24 -0.806 3.577 -7.210 1.00 0.00 C ATOM 349 CD1 LEU A 24 0.338 4.571 -6.977 1.00 0.00 C ATOM 350 CD2 LEU A 24 -2.084 4.058 -6.516 1.00 0.00 C ATOM 0 H LEU A 24 -1.303 2.325 -11.025 1.00 0.00 H new ATOM 0 HA LEU A 24 0.948 2.934 -9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.049 4.347 -9.215 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.054 2.956 -8.862 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.515 2.618 -6.781 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.499 4.696 -5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.250 4.191 -7.439 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.080 5.533 -7.420 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.891 4.195 -5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.400 5.005 -6.952 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.872 3.316 -6.649 1.00 0.00 H new ATOM 362 N VAL A 25 1.142 0.463 -8.599 1.00 0.00 N ATOM 363 CA VAL A 25 1.263 -0.872 -8.034 1.00 0.00 C ATOM 364 C VAL A 25 1.373 -0.777 -6.515 1.00 0.00 C ATOM 365 O VAL A 25 2.389 -0.315 -6.000 1.00 0.00 O ATOM 366 CB VAL A 25 2.462 -1.624 -8.630 1.00 0.00 C ATOM 367 CG1 VAL A 25 2.491 -3.049 -8.060 1.00 0.00 C ATOM 368 CG2 VAL A 25 2.385 -1.703 -10.160 1.00 0.00 C ATOM 0 H VAL A 25 2.034 0.890 -8.849 1.00 0.00 H new ATOM 0 HA VAL A 25 0.369 -1.441 -8.288 1.00 0.00 H new ATOM 0 HB VAL A 25 3.367 -1.078 -8.365 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.340 -3.591 -8.478 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.587 -3.005 -6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.567 -3.564 -8.322 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.252 -2.243 -10.541 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.475 -2.227 -10.452 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.373 -0.696 -10.576 1.00 0.00 H new ATOM 378 N ASP A 26 0.342 -1.245 -5.808 1.00 0.00 N ATOM 379 CA ASP A 26 0.290 -1.298 -4.358 1.00 0.00 C ATOM 380 C ASP A 26 0.724 -2.689 -3.906 1.00 0.00 C ATOM 381 O ASP A 26 -0.045 -3.641 -4.028 1.00 0.00 O ATOM 382 CB ASP A 26 -1.133 -1.000 -3.865 1.00 0.00 C ATOM 383 CG ASP A 26 -1.296 -1.365 -2.395 1.00 0.00 C ATOM 384 OD1 ASP A 26 -2.314 -1.918 -1.993 1.00 0.00 O ATOM 385 OD2 ASP A 26 -0.266 -1.086 -1.555 1.00 0.00 O ATOM 0 H ASP A 26 -0.503 -1.607 -6.250 1.00 0.00 H new ATOM 0 HA ASP A 26 0.959 -0.547 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.355 0.058 -4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.852 -1.560 -4.463 1.00 0.00 H new ATOM 391 N PHE A 27 1.924 -2.806 -3.348 1.00 0.00 N ATOM 392 CA PHE A 27 2.415 -4.055 -2.791 1.00 0.00 C ATOM 393 C PHE A 27 1.784 -4.173 -1.402 1.00 0.00 C ATOM 394 O PHE A 27 1.894 -3.231 -0.614 1.00 0.00 O ATOM 395 CB PHE A 27 3.947 -4.045 -2.751 1.00 0.00 C ATOM 396 CG PHE A 27 4.623 -4.093 -4.113 1.00 0.00 C ATOM 397 CD1 PHE A 27 4.592 -2.976 -4.971 1.00 0.00 C ATOM 398 CD2 PHE A 27 5.377 -5.223 -4.483 1.00 0.00 C ATOM 399 CE1 PHE A 27 5.274 -3.009 -6.199 1.00 0.00 C ATOM 400 CE2 PHE A 27 6.095 -5.233 -5.691 1.00 0.00 C ATOM 401 CZ PHE A 27 6.029 -4.135 -6.561 1.00 0.00 C ATOM 0 H PHE A 27 2.584 -2.032 -3.270 1.00 0.00 H new ATOM 0 HA PHE A 27 2.142 -4.920 -3.395 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.277 -3.146 -2.229 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.286 -4.898 -2.163 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.042 -2.092 -4.684 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.404 -6.087 -3.835 1.00 0.00 H new ATOM 0 HE1 PHE A 27 5.217 -2.163 -6.868 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.700 -6.089 -5.950 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.556 -4.156 -7.504 1.00 0.00 H new ATOM 411 N TRP A 28 1.088 -5.282 -1.114 1.00 0.00 N ATOM 412 CA TRP A 28 0.345 -5.477 0.129 1.00 0.00 C ATOM 413 C TRP A 28 0.400 -6.925 0.626 1.00 0.00 C ATOM 414 O TRP A 28 0.923 -7.804 -0.058 1.00 0.00 O ATOM 415 CB TRP A 28 -1.121 -5.089 -0.122 1.00 0.00 C ATOM 416 CG TRP A 28 -1.906 -6.032 -0.982 1.00 0.00 C ATOM 417 CD1 TRP A 28 -1.849 -6.103 -2.328 1.00 0.00 C ATOM 418 CD2 TRP A 28 -2.856 -7.059 -0.573 1.00 0.00 C ATOM 419 NE1 TRP A 28 -2.667 -7.117 -2.777 1.00 0.00 N ATOM 420 CE2 TRP A 28 -3.318 -7.741 -1.735 1.00 0.00 C ATOM 421 CE3 TRP A 28 -3.387 -7.472 0.667 1.00 0.00 C ATOM 422 CZ2 TRP A 28 -4.248 -8.789 -1.672 1.00 0.00 C ATOM 423 CZ3 TRP A 28 -4.322 -8.522 0.743 1.00 0.00 C ATOM 424 CH2 TRP A 28 -4.752 -9.179 -0.422 1.00 0.00 C ATOM 0 H TRP A 28 1.028 -6.077 -1.750 1.00 0.00 H new ATOM 0 HA TRP A 28 0.801 -4.853 0.898 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.624 -5.001 0.841 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.142 -4.102 -0.584 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.252 -5.461 -2.959 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -2.777 -7.374 -3.758 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.071 -6.975 1.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -4.572 -9.289 -2.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.711 -8.825 1.704 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.470 -9.983 -0.355 1.00 0.00 H new ATOM 435 N ALA A 29 -0.189 -7.176 1.801 1.00 0.00 N ATOM 436 CA ALA A 29 -0.337 -8.497 2.398 1.00 0.00 C ATOM 437 C ALA A 29 -1.469 -8.442 3.419 1.00 0.00 C ATOM 438 O ALA A 29 -1.634 -7.422 4.086 1.00 0.00 O ATOM 439 CB ALA A 29 0.949 -8.939 3.091 1.00 0.00 C ATOM 0 H ALA A 29 -0.588 -6.435 2.378 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.560 -9.217 1.611 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.806 -9.928 3.526 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.760 -8.976 2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.200 -8.229 3.879 1.00 0.00 H new ATOM 445 N GLU A 30 -2.237 -9.527 3.543 1.00 0.00 N ATOM 446 CA GLU A 30 -3.379 -9.640 4.444 1.00 0.00 C ATOM 447 C GLU A 30 -3.040 -9.181 5.863 1.00 0.00 C ATOM 448 O GLU A 30 -3.772 -8.395 6.456 1.00 0.00 O ATOM 449 CB GLU A 30 -3.891 -11.091 4.481 1.00 0.00 C ATOM 450 CG GLU A 30 -4.650 -11.548 3.223 1.00 0.00 C ATOM 451 CD GLU A 30 -3.781 -11.871 2.009 1.00 0.00 C ATOM 452 OE1 GLU A 30 -2.536 -11.849 2.145 1.00 0.00 O ATOM 453 OE2 GLU A 30 -4.380 -12.140 0.947 1.00 0.00 O ATOM 0 H GLU A 30 -2.074 -10.376 3.001 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.158 -8.984 4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.041 -11.756 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.547 -11.207 5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.235 -12.433 3.475 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.357 -10.767 2.944 1.00 0.00 H new ATOM 460 N TRP A 31 -1.946 -9.705 6.416 1.00 0.00 N ATOM 461 CA TRP A 31 -1.529 -9.408 7.779 1.00 0.00 C ATOM 462 C TRP A 31 -1.249 -7.919 8.005 1.00 0.00 C ATOM 463 O TRP A 31 -1.428 -7.419 9.116 1.00 0.00 O ATOM 464 CB TRP A 31 -0.318 -10.273 8.150 1.00 0.00 C ATOM 465 CG TRP A 31 0.869 -10.187 7.236 1.00 0.00 C ATOM 466 CD1 TRP A 31 1.144 -11.048 6.231 1.00 0.00 C ATOM 467 CD2 TRP A 31 1.963 -9.218 7.240 1.00 0.00 C ATOM 468 NE1 TRP A 31 2.313 -10.675 5.607 1.00 0.00 N ATOM 469 CE2 TRP A 31 2.870 -9.557 6.193 1.00 0.00 C ATOM 470 CE3 TRP A 31 2.286 -8.088 8.025 1.00 0.00 C ATOM 471 CZ2 TRP A 31 4.033 -8.817 5.934 1.00 0.00 C ATOM 472 CZ3 TRP A 31 3.447 -7.334 7.770 1.00 0.00 C ATOM 473 CH2 TRP A 31 4.321 -7.696 6.730 1.00 0.00 C ATOM 0 H TRP A 31 -1.325 -10.349 5.926 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.359 -9.655 8.441 1.00 0.00 H new ATOM 0 HB2 TRP A 31 0.004 -9.998 9.154 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.641 -11.313 8.193 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.538 -11.900 5.959 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.718 -11.165 4.809 1.00 0.00 H new ATOM 0 HE3 TRP A 31 1.631 -7.798 8.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.698 -9.105 5.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 3.668 -6.470 8.379 1.00 0.00 H new ATOM 0 HH2 TRP A 31 5.211 -7.114 6.544 1.00 0.00 H new ATOM 484 N CYS A 32 -0.813 -7.191 6.974 1.00 0.00 N ATOM 485 CA CYS A 32 -0.505 -5.778 7.132 1.00 0.00 C ATOM 486 C CYS A 32 -1.784 -4.945 7.103 1.00 0.00 C ATOM 487 O CYS A 32 -2.106 -4.318 6.096 1.00 0.00 O ATOM 488 CB CYS A 32 0.523 -5.325 6.099 1.00 0.00 C ATOM 489 SG CYS A 32 0.878 -3.583 6.431 1.00 0.00 S ATOM 0 H CYS A 32 -0.668 -7.557 6.033 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.048 -5.622 8.109 1.00 0.00 H new ATOM 0 HB2 CYS A 32 1.431 -5.924 6.171 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.136 -5.453 5.088 1.00 0.00 H new ATOM 0 HG CYS A 32 2.009 -3.258 5.878 1.00 0.00 H new ATOM 495 N GLY A 33 -2.502 -4.951 8.232 1.00 0.00 N ATOM 496 CA GLY A 33 -3.753 -4.236 8.486 1.00 0.00 C ATOM 497 C GLY A 33 -3.976 -2.986 7.621 1.00 0.00 C ATOM 498 O GLY A 33 -4.939 -2.962 6.857 1.00 0.00 O ATOM 0 H GLY A 33 -2.203 -5.491 9.044 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -4.585 -4.922 8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.779 -3.942 9.535 1.00 0.00 H new ATOM 502 N PRO A 34 -3.114 -1.953 7.713 1.00 0.00 N ATOM 503 CA PRO A 34 -3.207 -0.721 6.934 1.00 0.00 C ATOM 504 C PRO A 34 -3.525 -0.912 5.446 1.00 0.00 C ATOM 505 O PRO A 34 -4.197 -0.072 4.846 1.00 0.00 O ATOM 506 CB PRO A 34 -1.866 -0.014 7.138 1.00 0.00 C ATOM 507 CG PRO A 34 -1.482 -0.441 8.552 1.00 0.00 C ATOM 508 CD PRO A 34 -1.966 -1.890 8.606 1.00 0.00 C ATOM 0 HA PRO A 34 -4.056 -0.135 7.286 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.125 -0.329 6.403 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.960 1.069 7.052 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.408 -0.366 8.720 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.967 0.177 9.308 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.183 -2.577 8.286 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.243 -2.173 9.621 1.00 0.00 H new ATOM 516 N CYS A 35 -3.088 -2.021 4.844 1.00 0.00 N ATOM 517 CA CYS A 35 -3.395 -2.340 3.454 1.00 0.00 C ATOM 518 C CYS A 35 -4.911 -2.326 3.244 1.00 0.00 C ATOM 519 O CYS A 35 -5.413 -1.773 2.264 1.00 0.00 O ATOM 520 CB CYS A 35 -2.831 -3.713 3.065 1.00 0.00 C ATOM 521 SG CYS A 35 -1.021 -3.694 3.111 1.00 0.00 S ATOM 0 H CYS A 35 -2.511 -2.721 5.310 1.00 0.00 H new ATOM 0 HA CYS A 35 -2.929 -1.587 2.819 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.210 -4.474 3.747 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.172 -3.982 2.065 1.00 0.00 H new ATOM 0 HG CYS A 35 -0.619 -3.589 4.343 1.00 0.00 H new ATOM 527 N LYS A 36 -5.649 -2.902 4.196 1.00 0.00 N ATOM 528 CA LYS A 36 -7.104 -2.942 4.177 1.00 0.00 C ATOM 529 C LYS A 36 -7.693 -1.544 4.363 1.00 0.00 C ATOM 530 O LYS A 36 -8.795 -1.282 3.889 1.00 0.00 O ATOM 531 CB LYS A 36 -7.633 -3.889 5.261 1.00 0.00 C ATOM 532 CG LYS A 36 -7.001 -5.284 5.195 1.00 0.00 C ATOM 533 CD LYS A 36 -7.754 -6.229 6.142 1.00 0.00 C ATOM 534 CE LYS A 36 -7.022 -7.564 6.318 1.00 0.00 C ATOM 535 NZ LYS A 36 -6.822 -8.262 5.037 1.00 0.00 N ATOM 0 H LYS A 36 -5.242 -3.359 5.012 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.416 -3.318 3.203 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.440 -3.454 6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.714 -3.981 5.160 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.041 -5.666 4.175 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.949 -5.233 5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.874 -5.750 7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.755 -6.412 5.752 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.055 -7.387 6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.592 -8.203 6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.432 -9.209 5.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.733 -8.350 4.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.159 -7.720 4.446 1.00 0.00 H new ATOM 549 N MET A 37 -6.971 -0.643 5.038 1.00 0.00 N ATOM 550 CA MET A 37 -7.417 0.727 5.246 1.00 0.00 C ATOM 551 C MET A 37 -7.312 1.475 3.915 1.00 0.00 C ATOM 552 O MET A 37 -8.271 2.117 3.493 1.00 0.00 O ATOM 553 CB MET A 37 -6.622 1.374 6.392 1.00 0.00 C ATOM 554 CG MET A 37 -7.237 2.692 6.890 1.00 0.00 C ATOM 555 SD MET A 37 -7.114 4.144 5.809 1.00 0.00 S ATOM 556 CE MET A 37 -5.330 4.416 5.779 1.00 0.00 C ATOM 0 H MET A 37 -6.062 -0.849 5.453 1.00 0.00 H new ATOM 0 HA MET A 37 -8.461 0.764 5.559 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.561 0.672 7.224 1.00 0.00 H new ATOM 0 HB3 MET A 37 -5.602 1.561 6.057 1.00 0.00 H new ATOM 0 HG2 MET A 37 -8.293 2.514 7.092 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.768 2.942 7.842 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.112 5.433 6.104 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.843 3.708 6.449 1.00 0.00 H new ATOM 0 HE3 MET A 37 -4.957 4.271 4.765 1.00 0.00 H new ATOM 566 N ILE A 38 -6.165 1.378 3.232 1.00 0.00 N ATOM 567 CA ILE A 38 -6.025 2.043 1.938 1.00 0.00 C ATOM 568 C ILE A 38 -6.873 1.375 0.848 1.00 0.00 C ATOM 569 O ILE A 38 -7.316 2.068 -0.060 1.00 0.00 O ATOM 570 CB ILE A 38 -4.566 2.249 1.499 1.00 0.00 C ATOM 571 CG1 ILE A 38 -3.828 0.924 1.287 1.00 0.00 C ATOM 572 CG2 ILE A 38 -3.808 3.150 2.485 1.00 0.00 C ATOM 573 CD1 ILE A 38 -2.490 1.116 0.573 1.00 0.00 C ATOM 0 H ILE A 38 -5.344 0.860 3.545 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.424 3.047 2.085 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.598 2.754 0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.658 0.447 2.252 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.455 0.250 0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.780 3.276 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.295 4.124 2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.811 2.691 3.473 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.004 0.149 0.445 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.661 1.568 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.850 1.768 1.168 1.00 0.00 H new ATOM 585 N ALA A 39 -7.100 0.054 0.902 1.00 0.00 N ATOM 586 CA ALA A 39 -7.885 -0.682 -0.094 1.00 0.00 C ATOM 587 C ALA A 39 -9.114 0.076 -0.641 1.00 0.00 C ATOM 588 O ALA A 39 -9.158 0.331 -1.844 1.00 0.00 O ATOM 589 CB ALA A 39 -8.235 -2.085 0.415 1.00 0.00 C ATOM 0 H ALA A 39 -6.738 -0.538 1.649 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.237 -0.785 -0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.817 -2.612 -0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.318 -2.638 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.819 -2.004 1.332 1.00 0.00 H new ATOM 595 N PRO A 40 -10.112 0.465 0.175 1.00 0.00 N ATOM 596 CA PRO A 40 -11.264 1.216 -0.305 1.00 0.00 C ATOM 597 C PRO A 40 -10.846 2.524 -0.982 1.00 0.00 C ATOM 598 O PRO A 40 -11.408 2.888 -2.013 1.00 0.00 O ATOM 599 CB PRO A 40 -12.159 1.459 0.914 1.00 0.00 C ATOM 600 CG PRO A 40 -11.208 1.309 2.097 1.00 0.00 C ATOM 601 CD PRO A 40 -10.226 0.250 1.604 1.00 0.00 C ATOM 0 HA PRO A 40 -11.802 0.658 -1.071 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.611 2.450 0.887 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.975 0.738 0.962 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -10.706 2.247 2.335 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.730 0.989 2.999 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.258 0.353 2.095 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -10.589 -0.754 1.822 1.00 0.00 H new ATOM 609 N ILE A 41 -9.841 3.218 -0.438 1.00 0.00 N ATOM 610 CA ILE A 41 -9.342 4.450 -1.037 1.00 0.00 C ATOM 611 C ILE A 41 -8.862 4.122 -2.451 1.00 0.00 C ATOM 612 O ILE A 41 -9.288 4.757 -3.413 1.00 0.00 O ATOM 613 CB ILE A 41 -8.222 5.103 -0.200 1.00 0.00 C ATOM 614 CG1 ILE A 41 -8.564 5.147 1.300 1.00 0.00 C ATOM 615 CG2 ILE A 41 -7.975 6.524 -0.728 1.00 0.00 C ATOM 616 CD1 ILE A 41 -7.444 5.787 2.122 1.00 0.00 C ATOM 0 H ILE A 41 -9.359 2.943 0.418 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.147 5.184 -1.070 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.322 4.496 -0.301 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -9.487 5.708 1.446 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.746 4.135 1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -7.185 6.997 -0.144 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.674 6.476 -1.775 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.891 7.109 -0.640 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.726 5.798 3.175 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.527 5.211 1.998 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -7.280 6.809 1.780 1.00 0.00 H new ATOM 628 N LEU A 42 -8.001 3.111 -2.579 1.00 0.00 N ATOM 629 CA LEU A 42 -7.479 2.654 -3.857 1.00 0.00 C ATOM 630 C LEU A 42 -8.624 2.290 -4.807 1.00 0.00 C ATOM 631 O LEU A 42 -8.587 2.666 -5.976 1.00 0.00 O ATOM 632 CB LEU A 42 -6.497 1.488 -3.651 1.00 0.00 C ATOM 633 CG LEU A 42 -5.134 1.910 -3.082 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.390 0.650 -2.630 1.00 0.00 C ATOM 635 CD2 LEU A 42 -4.268 2.629 -4.124 1.00 0.00 C ATOM 0 H LEU A 42 -7.645 2.582 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.921 3.466 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.950 0.760 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.341 0.986 -4.606 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.313 2.598 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.418 0.928 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.972 0.139 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.249 -0.015 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.315 2.908 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.090 1.965 -4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.783 3.526 -4.469 1.00 0.00 H new ATOM 647 N ASP A 43 -9.650 1.586 -4.318 1.00 0.00 N ATOM 648 CA ASP A 43 -10.810 1.221 -5.130 1.00 0.00 C ATOM 649 C ASP A 43 -11.470 2.485 -5.690 1.00 0.00 C ATOM 650 O ASP A 43 -11.722 2.593 -6.891 1.00 0.00 O ATOM 651 CB ASP A 43 -11.833 0.413 -4.317 1.00 0.00 C ATOM 652 CG ASP A 43 -11.299 -0.886 -3.718 1.00 0.00 C ATOM 653 OD1 ASP A 43 -10.277 -1.391 -4.230 1.00 0.00 O ATOM 654 OD2 ASP A 43 -11.938 -1.368 -2.759 1.00 0.00 O ATOM 0 H ASP A 43 -9.698 1.256 -3.354 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.463 0.594 -5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -12.210 1.040 -3.509 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -12.681 0.178 -4.960 1.00 0.00 H new ATOM 659 N GLU A 44 -11.744 3.456 -4.815 1.00 0.00 N ATOM 660 CA GLU A 44 -12.367 4.709 -5.217 1.00 0.00 C ATOM 661 C GLU A 44 -11.488 5.425 -6.242 1.00 0.00 C ATOM 662 O GLU A 44 -11.969 5.812 -7.305 1.00 0.00 O ATOM 663 CB GLU A 44 -12.643 5.587 -3.992 1.00 0.00 C ATOM 664 CG GLU A 44 -13.751 5.014 -3.096 1.00 0.00 C ATOM 665 CD GLU A 44 -15.109 5.023 -3.788 1.00 0.00 C ATOM 666 OE1 GLU A 44 -15.645 6.139 -3.964 1.00 0.00 O ATOM 667 OE2 GLU A 44 -15.582 3.919 -4.134 1.00 0.00 O ATOM 0 H GLU A 44 -11.540 3.392 -3.818 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.327 4.498 -5.689 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.727 5.692 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.927 6.586 -4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.496 3.993 -2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.810 5.595 -2.176 1.00 0.00 H new ATOM 674 N ILE A 45 -10.196 5.574 -5.942 1.00 0.00 N ATOM 675 CA ILE A 45 -9.226 6.193 -6.834 1.00 0.00 C ATOM 676 C ILE A 45 -9.275 5.506 -8.202 1.00 0.00 C ATOM 677 O ILE A 45 -9.318 6.183 -9.226 1.00 0.00 O ATOM 678 CB ILE A 45 -7.824 6.144 -6.199 1.00 0.00 C ATOM 679 CG1 ILE A 45 -7.703 7.068 -4.972 1.00 0.00 C ATOM 680 CG2 ILE A 45 -6.703 6.439 -7.203 1.00 0.00 C ATOM 681 CD1 ILE A 45 -7.685 8.570 -5.272 1.00 0.00 C ATOM 0 H ILE A 45 -9.793 5.262 -5.058 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.472 7.244 -6.987 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.698 5.115 -5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.536 6.860 -4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.789 6.812 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.739 6.390 -6.697 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.730 5.701 -8.005 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.843 7.436 -7.622 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.597 9.126 -4.339 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.836 8.803 -5.915 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.609 8.851 -5.776 1.00 0.00 H new ATOM 693 N ALA A 46 -9.282 4.170 -8.227 1.00 0.00 N ATOM 694 CA ALA A 46 -9.345 3.406 -9.464 1.00 0.00 C ATOM 695 C ALA A 46 -10.534 3.851 -10.310 1.00 0.00 C ATOM 696 O ALA A 46 -10.393 4.075 -11.509 1.00 0.00 O ATOM 697 CB ALA A 46 -9.412 1.909 -9.167 1.00 0.00 C ATOM 0 H ALA A 46 -9.244 3.593 -7.387 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.436 3.596 -10.035 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.459 1.354 -10.104 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.524 1.608 -8.611 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.301 1.695 -8.574 1.00 0.00 H new ATOM 703 N ASP A 47 -11.705 4.000 -9.685 1.00 0.00 N ATOM 704 CA ASP A 47 -12.888 4.467 -10.392 1.00 0.00 C ATOM 705 C ASP A 47 -12.702 5.921 -10.843 1.00 0.00 C ATOM 706 O ASP A 47 -12.841 6.228 -12.026 1.00 0.00 O ATOM 707 CB ASP A 47 -14.132 4.310 -9.512 1.00 0.00 C ATOM 708 CG ASP A 47 -15.369 4.818 -10.244 1.00 0.00 C ATOM 709 OD1 ASP A 47 -15.896 4.045 -11.073 1.00 0.00 O ATOM 710 OD2 ASP A 47 -15.752 5.977 -9.978 1.00 0.00 O ATOM 0 H ASP A 47 -11.853 3.804 -8.695 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.030 3.856 -11.284 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.265 3.262 -9.244 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.999 4.863 -8.582 1.00 0.00 H new ATOM 715 N GLU A 48 -12.400 6.821 -9.907 1.00 0.00 N ATOM 716 CA GLU A 48 -12.234 8.246 -10.171 1.00 0.00 C ATOM 717 C GLU A 48 -11.283 8.513 -11.341 1.00 0.00 C ATOM 718 O GLU A 48 -11.593 9.309 -12.224 1.00 0.00 O ATOM 719 CB GLU A 48 -11.730 8.946 -8.904 1.00 0.00 C ATOM 720 CG GLU A 48 -12.793 8.989 -7.800 1.00 0.00 C ATOM 721 CD GLU A 48 -12.175 9.440 -6.482 1.00 0.00 C ATOM 722 OE1 GLU A 48 -11.624 8.558 -5.790 1.00 0.00 O ATOM 723 OE2 GLU A 48 -12.246 10.654 -6.195 1.00 0.00 O ATOM 0 H GLU A 48 -12.262 6.573 -8.927 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.207 8.648 -10.454 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.845 8.428 -8.533 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.424 9.963 -9.151 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -13.594 9.671 -8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.241 8.003 -7.680 1.00 0.00 H new ATOM 730 N TYR A 49 -10.120 7.858 -11.341 1.00 0.00 N ATOM 731 CA TYR A 49 -9.096 8.024 -12.364 1.00 0.00 C ATOM 732 C TYR A 49 -9.165 6.911 -13.419 1.00 0.00 C ATOM 733 O TYR A 49 -8.159 6.641 -14.080 1.00 0.00 O ATOM 734 CB TYR A 49 -7.713 8.084 -11.692 1.00 0.00 C ATOM 735 CG TYR A 49 -7.460 9.298 -10.813 1.00 0.00 C ATOM 736 CD1 TYR A 49 -7.933 9.327 -9.488 1.00 0.00 C ATOM 737 CD2 TYR A 49 -6.658 10.357 -11.282 1.00 0.00 C ATOM 738 CE1 TYR A 49 -7.588 10.388 -8.634 1.00 0.00 C ATOM 739 CE2 TYR A 49 -6.294 11.407 -10.420 1.00 0.00 C ATOM 740 CZ TYR A 49 -6.745 11.414 -9.090 1.00 0.00 C ATOM 741 OH TYR A 49 -6.369 12.401 -8.231 1.00 0.00 O ATOM 0 H TYR A 49 -9.863 7.187 -10.617 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.273 8.961 -12.893 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.584 7.187 -11.087 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.950 8.056 -12.470 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.565 8.529 -9.126 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.321 10.363 -12.308 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.972 10.414 -7.625 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -5.667 12.209 -10.781 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.687 12.962 -8.656 1.00 0.00 H new ATOM 751 N GLN A 50 -10.319 6.256 -13.610 1.00 0.00 N ATOM 752 CA GLN A 50 -10.435 5.196 -14.599 1.00 0.00 C ATOM 753 C GLN A 50 -9.975 5.691 -15.973 1.00 0.00 C ATOM 754 O GLN A 50 -10.358 6.775 -16.409 1.00 0.00 O ATOM 755 CB GLN A 50 -11.860 4.630 -14.619 1.00 0.00 C ATOM 756 CG GLN A 50 -12.920 5.606 -15.152 1.00 0.00 C ATOM 757 CD GLN A 50 -14.325 5.064 -14.908 1.00 0.00 C ATOM 758 OE1 GLN A 50 -14.946 4.491 -15.795 1.00 0.00 O ATOM 759 NE2 GLN A 50 -14.832 5.234 -13.692 1.00 0.00 N ATOM 0 H GLN A 50 -11.176 6.446 -13.091 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.774 4.374 -14.322 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.872 3.729 -15.232 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.134 4.331 -13.607 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.809 6.574 -14.663 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.768 5.768 -16.219 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.289 5.716 -12.976 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.765 4.883 -13.475 1.00 0.00 H new ATOM 768 N GLY A 51 -9.107 4.926 -16.640 1.00 0.00 N ATOM 769 CA GLY A 51 -8.564 5.298 -17.940 1.00 0.00 C ATOM 770 C GLY A 51 -7.380 6.267 -17.842 1.00 0.00 C ATOM 771 O GLY A 51 -6.613 6.374 -18.797 1.00 0.00 O ATOM 0 H GLY A 51 -8.763 4.032 -16.290 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.246 4.397 -18.466 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.352 5.755 -18.539 1.00 0.00 H new ATOM 775 N LYS A 52 -7.203 6.956 -16.708 1.00 0.00 N ATOM 776 CA LYS A 52 -6.110 7.896 -16.492 1.00 0.00 C ATOM 777 C LYS A 52 -5.007 7.211 -15.688 1.00 0.00 C ATOM 778 O LYS A 52 -3.825 7.373 -15.991 1.00 0.00 O ATOM 779 CB LYS A 52 -6.621 9.137 -15.746 1.00 0.00 C ATOM 780 CG LYS A 52 -7.733 9.857 -16.521 1.00 0.00 C ATOM 781 CD LYS A 52 -8.311 11.048 -15.738 1.00 0.00 C ATOM 782 CE LYS A 52 -7.270 12.101 -15.336 1.00 0.00 C ATOM 783 NZ LYS A 52 -6.509 12.600 -16.496 1.00 0.00 N ATOM 0 H LYS A 52 -7.828 6.871 -15.906 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.709 8.214 -17.454 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.995 8.842 -14.766 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.793 9.825 -15.577 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.340 10.208 -17.475 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.532 9.151 -16.746 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.081 11.527 -16.343 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.799 10.674 -14.838 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.770 12.936 -14.845 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.581 11.670 -14.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.865 13.357 -16.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.957 11.822 -16.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.168 12.974 -17.209 1.00 0.00 H new ATOM 797 N LEU A 53 -5.392 6.445 -14.663 1.00 0.00 N ATOM 798 CA LEU A 53 -4.485 5.720 -13.792 1.00 0.00 C ATOM 799 C LEU A 53 -4.990 4.289 -13.644 1.00 0.00 C ATOM 800 O LEU A 53 -6.163 4.069 -13.351 1.00 0.00 O ATOM 801 CB LEU A 53 -4.456 6.408 -12.426 1.00 0.00 C ATOM 802 CG LEU A 53 -3.455 5.785 -11.444 1.00 0.00 C ATOM 803 CD1 LEU A 53 -2.015 6.177 -11.789 1.00 0.00 C ATOM 804 CD2 LEU A 53 -3.801 6.273 -10.040 1.00 0.00 C ATOM 0 H LEU A 53 -6.373 6.314 -14.416 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.479 5.709 -14.211 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.209 7.461 -12.564 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.453 6.369 -11.988 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.523 4.699 -11.505 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.332 5.719 -11.074 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.774 5.830 -12.794 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.913 7.261 -11.745 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.102 5.843 -9.323 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.733 7.360 -10.006 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.816 5.965 -9.787 1.00 0.00 H new ATOM 816 N THR A 54 -4.095 3.316 -13.812 1.00 0.00 N ATOM 817 CA THR A 54 -4.397 1.909 -13.634 1.00 0.00 C ATOM 818 C THR A 54 -3.970 1.536 -12.215 1.00 0.00 C ATOM 819 O THR A 54 -2.781 1.396 -11.933 1.00 0.00 O ATOM 820 CB THR A 54 -3.649 1.104 -14.699 1.00 0.00 C ATOM 821 OG1 THR A 54 -4.056 1.540 -15.980 1.00 0.00 O ATOM 822 CG2 THR A 54 -3.887 -0.404 -14.590 1.00 0.00 C ATOM 0 H THR A 54 -3.127 3.493 -14.080 1.00 0.00 H new ATOM 0 HA THR A 54 -5.458 1.691 -13.753 1.00 0.00 H new ATOM 0 HB THR A 54 -2.584 1.276 -14.540 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.579 1.029 -16.666 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.329 -0.918 -15.373 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.551 -0.756 -13.615 1.00 0.00 H new ATOM 0 HG23 THR A 54 -4.950 -0.614 -14.705 1.00 0.00 H new ATOM 830 N VAL A 55 -4.921 1.381 -11.299 1.00 0.00 N ATOM 831 CA VAL A 55 -4.585 0.986 -9.942 1.00 0.00 C ATOM 832 C VAL A 55 -4.359 -0.527 -9.952 1.00 0.00 C ATOM 833 O VAL A 55 -5.131 -1.274 -10.557 1.00 0.00 O ATOM 834 CB VAL A 55 -5.689 1.426 -8.974 1.00 0.00 C ATOM 835 CG1 VAL A 55 -5.365 0.991 -7.542 1.00 0.00 C ATOM 836 CG2 VAL A 55 -5.823 2.955 -8.987 1.00 0.00 C ATOM 0 H VAL A 55 -5.917 1.521 -11.471 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.675 1.473 -9.592 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.618 0.958 -9.299 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.163 1.315 -6.874 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.277 -0.095 -7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.424 1.443 -7.229 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.610 3.257 -8.296 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.879 3.406 -8.681 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.076 3.290 -9.993 1.00 0.00 H new ATOM 846 N ALA A 56 -3.290 -0.987 -9.307 1.00 0.00 N ATOM 847 CA ALA A 56 -2.940 -2.392 -9.248 1.00 0.00 C ATOM 848 C ALA A 56 -2.579 -2.761 -7.814 1.00 0.00 C ATOM 849 O ALA A 56 -2.081 -1.926 -7.060 1.00 0.00 O ATOM 850 CB ALA A 56 -1.800 -2.667 -10.226 1.00 0.00 C ATOM 0 H ALA A 56 -2.639 -0.382 -8.807 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.784 -3.015 -9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.533 -3.723 -10.186 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.118 -2.412 -11.237 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.934 -2.063 -9.955 1.00 0.00 H new ATOM 856 N LYS A 57 -2.826 -4.013 -7.435 1.00 0.00 N ATOM 857 CA LYS A 57 -2.518 -4.550 -6.123 1.00 0.00 C ATOM 858 C LYS A 57 -1.685 -5.805 -6.328 1.00 0.00 C ATOM 859 O LYS A 57 -1.997 -6.606 -7.204 1.00 0.00 O ATOM 860 CB LYS A 57 -3.803 -4.870 -5.346 1.00 0.00 C ATOM 861 CG LYS A 57 -4.279 -3.660 -4.535 1.00 0.00 C ATOM 862 CD LYS A 57 -5.550 -4.015 -3.748 1.00 0.00 C ATOM 863 CE LYS A 57 -5.970 -2.893 -2.791 1.00 0.00 C ATOM 864 NZ LYS A 57 -5.033 -2.753 -1.659 1.00 0.00 N ATOM 0 H LYS A 57 -3.259 -4.697 -8.055 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.965 -3.818 -5.535 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.585 -5.175 -6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.626 -5.712 -4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.494 -3.342 -3.848 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.478 -2.821 -5.202 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.362 -4.219 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.380 -4.930 -3.180 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.022 -1.951 -3.337 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.971 -3.097 -2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.422 -2.080 -0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.898 -3.678 -1.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.118 -2.401 -2.007 1.00 0.00 H new ATOM 878 N LEU A 58 -0.624 -5.969 -5.539 1.00 0.00 N ATOM 879 CA LEU A 58 0.268 -7.111 -5.626 1.00 0.00 C ATOM 880 C LEU A 58 0.447 -7.713 -4.237 1.00 0.00 C ATOM 881 O LEU A 58 0.977 -7.066 -3.336 1.00 0.00 O ATOM 882 CB LEU A 58 1.576 -6.647 -6.260 1.00 0.00 C ATOM 883 CG LEU A 58 2.476 -7.827 -6.659 1.00 0.00 C ATOM 884 CD1 LEU A 58 3.303 -7.385 -7.859 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.411 -8.273 -5.531 1.00 0.00 C ATOM 0 H LEU A 58 -0.362 -5.301 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.141 -7.901 -6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.357 -6.044 -7.142 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.110 -6.005 -5.560 1.00 0.00 H new ATOM 0 HG LEU A 58 1.842 -8.683 -6.891 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.956 -8.200 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.638 -7.118 -8.681 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.907 -6.520 -7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.021 -9.109 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.059 -7.444 -5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.820 -8.584 -4.670 1.00 0.00 H new ATOM 897 N ASN A 59 -0.019 -8.951 -4.050 1.00 0.00 N ATOM 898 CA ASN A 59 0.081 -9.626 -2.768 1.00 0.00 C ATOM 899 C ASN A 59 1.486 -10.209 -2.603 1.00 0.00 C ATOM 900 O ASN A 59 1.843 -11.151 -3.316 1.00 0.00 O ATOM 901 CB ASN A 59 -0.980 -10.718 -2.660 1.00 0.00 C ATOM 902 CG ASN A 59 -0.911 -11.337 -1.273 1.00 0.00 C ATOM 903 OD1 ASN A 59 -0.002 -12.107 -0.980 1.00 0.00 O ATOM 904 ND2 ASN A 59 -1.843 -10.989 -0.395 1.00 0.00 N ATOM 0 H ASN A 59 -0.471 -9.503 -4.779 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.094 -8.908 -1.967 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.971 -10.300 -2.837 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.815 -11.480 -3.422 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.816 -11.364 0.553 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.587 -10.347 -0.668 1.00 0.00 H new ATOM 911 N ILE A 60 2.285 -9.657 -1.683 1.00 0.00 N ATOM 912 CA ILE A 60 3.661 -10.097 -1.476 1.00 0.00 C ATOM 913 C ILE A 60 3.772 -11.452 -0.779 1.00 0.00 C ATOM 914 O ILE A 60 4.772 -12.136 -0.969 1.00 0.00 O ATOM 915 CB ILE A 60 4.528 -9.028 -0.789 1.00 0.00 C ATOM 916 CG1 ILE A 60 4.145 -8.770 0.677 1.00 0.00 C ATOM 917 CG2 ILE A 60 4.503 -7.729 -1.604 1.00 0.00 C ATOM 918 CD1 ILE A 60 5.324 -8.199 1.469 1.00 0.00 C ATOM 0 H ILE A 60 1.995 -8.898 -1.067 1.00 0.00 H new ATOM 0 HA ILE A 60 4.065 -10.241 -2.478 1.00 0.00 H new ATOM 0 HB ILE A 60 5.545 -9.420 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.306 -8.075 0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.812 -9.700 1.137 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.119 -6.978 -1.110 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.894 -7.919 -2.604 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.478 -7.366 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.020 -8.028 2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.153 -8.906 1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.639 -7.256 1.023 1.00 0.00 H new ATOM 930 N ASP A 61 2.775 -11.873 0.008 1.00 0.00 N ATOM 931 CA ASP A 61 2.839 -13.191 0.644 1.00 0.00 C ATOM 932 C ASP A 61 2.894 -14.243 -0.462 1.00 0.00 C ATOM 933 O ASP A 61 3.715 -15.155 -0.440 1.00 0.00 O ATOM 934 CB ASP A 61 1.631 -13.464 1.552 1.00 0.00 C ATOM 935 CG ASP A 61 1.548 -12.563 2.778 1.00 0.00 C ATOM 936 OD1 ASP A 61 2.604 -12.046 3.205 1.00 0.00 O ATOM 937 OD2 ASP A 61 0.414 -12.413 3.284 1.00 0.00 O ATOM 0 H ASP A 61 1.934 -11.334 0.216 1.00 0.00 H new ATOM 0 HA ASP A 61 3.726 -13.228 1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.719 -13.346 0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.667 -14.502 1.881 1.00 0.00 H new ATOM 942 N GLN A 62 2.006 -14.081 -1.441 1.00 0.00 N ATOM 943 CA GLN A 62 1.922 -14.928 -2.613 1.00 0.00 C ATOM 944 C GLN A 62 3.127 -14.677 -3.525 1.00 0.00 C ATOM 945 O GLN A 62 3.656 -15.613 -4.119 1.00 0.00 O ATOM 946 CB GLN A 62 0.615 -14.603 -3.346 1.00 0.00 C ATOM 947 CG GLN A 62 -0.619 -14.920 -2.488 1.00 0.00 C ATOM 948 CD GLN A 62 -1.884 -14.305 -3.080 1.00 0.00 C ATOM 949 OE1 GLN A 62 -2.038 -14.224 -4.293 1.00 0.00 O ATOM 950 NE2 GLN A 62 -2.795 -13.835 -2.231 1.00 0.00 N ATOM 0 H GLN A 62 1.310 -13.335 -1.434 1.00 0.00 H new ATOM 0 HA GLN A 62 1.931 -15.979 -2.324 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.605 -13.548 -3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.568 -15.173 -4.274 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.741 -16.000 -2.409 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.468 -14.541 -1.477 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.644 -13.914 -1.225 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.644 -13.396 -2.586 1.00 0.00 H new ATOM 959 N ASN A 63 3.532 -13.408 -3.670 1.00 0.00 N ATOM 960 CA ASN A 63 4.598 -12.987 -4.579 1.00 0.00 C ATOM 961 C ASN A 63 5.756 -12.296 -3.852 1.00 0.00 C ATOM 962 O ASN A 63 5.952 -11.093 -4.029 1.00 0.00 O ATOM 963 CB ASN A 63 4.001 -12.043 -5.627 1.00 0.00 C ATOM 964 CG ASN A 63 2.840 -12.685 -6.369 1.00 0.00 C ATOM 965 OD1 ASN A 63 3.040 -13.377 -7.362 1.00 0.00 O ATOM 966 ND2 ASN A 63 1.618 -12.452 -5.906 1.00 0.00 N ATOM 0 H ASN A 63 3.119 -12.635 -3.149 1.00 0.00 H new ATOM 0 HA ASN A 63 5.013 -13.878 -5.050 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.661 -11.129 -5.141 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.774 -11.756 -6.340 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.808 -12.853 -6.379 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.489 -11.872 -5.077 1.00 0.00 H new ATOM 973 N PRO A 64 6.555 -13.019 -3.057 1.00 0.00 N ATOM 974 CA PRO A 64 7.669 -12.419 -2.340 1.00 0.00 C ATOM 975 C PRO A 64 8.732 -11.914 -3.319 1.00 0.00 C ATOM 976 O PRO A 64 9.281 -10.830 -3.133 1.00 0.00 O ATOM 977 CB PRO A 64 8.195 -13.518 -1.411 1.00 0.00 C ATOM 978 CG PRO A 64 7.772 -14.818 -2.096 1.00 0.00 C ATOM 979 CD PRO A 64 6.453 -14.441 -2.771 1.00 0.00 C ATOM 0 HA PRO A 64 7.371 -11.543 -1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.278 -13.461 -1.298 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.766 -13.435 -0.412 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.515 -15.152 -2.821 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.641 -15.628 -1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.302 -15.015 -3.685 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.605 -14.650 -2.119 1.00 0.00 H new ATOM 987 N GLY A 65 9.011 -12.702 -4.363 1.00 0.00 N ATOM 988 CA GLY A 65 10.009 -12.427 -5.391 1.00 0.00 C ATOM 989 C GLY A 65 10.016 -10.990 -5.914 1.00 0.00 C ATOM 990 O GLY A 65 11.080 -10.463 -6.234 1.00 0.00 O ATOM 0 H GLY A 65 8.524 -13.585 -4.517 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.996 -12.657 -4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.841 -13.103 -6.230 1.00 0.00 H new ATOM 994 N THR A 66 8.852 -10.348 -6.034 1.00 0.00 N ATOM 995 CA THR A 66 8.757 -8.996 -6.562 1.00 0.00 C ATOM 996 C THR A 66 9.298 -7.934 -5.590 1.00 0.00 C ATOM 997 O THR A 66 9.640 -6.834 -6.018 1.00 0.00 O ATOM 998 CB THR A 66 7.303 -8.728 -6.987 1.00 0.00 C ATOM 999 OG1 THR A 66 6.688 -9.938 -7.383 1.00 0.00 O ATOM 1000 CG2 THR A 66 7.245 -7.747 -8.160 1.00 0.00 C ATOM 0 H THR A 66 7.955 -10.754 -5.767 1.00 0.00 H new ATOM 0 HA THR A 66 9.401 -8.917 -7.438 1.00 0.00 H new ATOM 0 HB THR A 66 6.780 -8.297 -6.133 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.255 -10.393 -8.040 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.206 -7.576 -8.440 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.703 -6.802 -7.867 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.786 -8.164 -9.010 1.00 0.00 H new ATOM 1008 N ALA A 67 9.397 -8.231 -4.289 1.00 0.00 N ATOM 1009 CA ALA A 67 9.908 -7.278 -3.305 1.00 0.00 C ATOM 1010 C ALA A 67 11.369 -6.867 -3.560 1.00 0.00 C ATOM 1011 O ALA A 67 11.618 -5.672 -3.748 1.00 0.00 O ATOM 1012 CB ALA A 67 9.661 -7.786 -1.880 1.00 0.00 C ATOM 0 H ALA A 67 9.127 -9.132 -3.894 1.00 0.00 H new ATOM 0 HA ALA A 67 9.342 -6.354 -3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.049 -7.062 -1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.591 -7.917 -1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.168 -8.741 -1.741 1.00 0.00 H new ATOM 1018 N PRO A 68 12.346 -7.796 -3.580 1.00 0.00 N ATOM 1019 CA PRO A 68 13.739 -7.454 -3.828 1.00 0.00 C ATOM 1020 C PRO A 68 13.921 -6.755 -5.176 1.00 0.00 C ATOM 1021 O PRO A 68 14.766 -5.868 -5.276 1.00 0.00 O ATOM 1022 CB PRO A 68 14.537 -8.757 -3.733 1.00 0.00 C ATOM 1023 CG PRO A 68 13.490 -9.836 -3.993 1.00 0.00 C ATOM 1024 CD PRO A 68 12.234 -9.231 -3.370 1.00 0.00 C ATOM 0 HA PRO A 68 14.099 -6.738 -3.089 1.00 0.00 H new ATOM 0 HB2 PRO A 68 15.340 -8.791 -4.470 1.00 0.00 H new ATOM 0 HB3 PRO A 68 14.999 -8.874 -2.753 1.00 0.00 H new ATOM 0 HG2 PRO A 68 13.362 -10.030 -5.058 1.00 0.00 H new ATOM 0 HG3 PRO A 68 13.759 -10.784 -3.526 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.334 -9.627 -3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.170 -9.468 -2.308 1.00 0.00 H new ATOM 1032 N LYS A 69 13.122 -7.099 -6.197 1.00 0.00 N ATOM 1033 CA LYS A 69 13.197 -6.448 -7.503 1.00 0.00 C ATOM 1034 C LYS A 69 13.094 -4.921 -7.389 1.00 0.00 C ATOM 1035 O LYS A 69 13.662 -4.212 -8.217 1.00 0.00 O ATOM 1036 CB LYS A 69 12.129 -6.994 -8.461 1.00 0.00 C ATOM 1037 CG LYS A 69 12.359 -8.472 -8.793 1.00 0.00 C ATOM 1038 CD LYS A 69 11.368 -8.931 -9.872 1.00 0.00 C ATOM 1039 CE LYS A 69 11.535 -10.421 -10.187 1.00 0.00 C ATOM 1040 NZ LYS A 69 11.071 -11.273 -9.077 1.00 0.00 N ATOM 0 H LYS A 69 12.413 -7.830 -6.137 1.00 0.00 H new ATOM 0 HA LYS A 69 14.178 -6.681 -7.917 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.143 -6.872 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.135 -6.410 -9.381 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.381 -8.620 -9.141 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.237 -9.078 -7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.349 -8.741 -9.537 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.519 -8.347 -10.780 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.977 -10.666 -11.090 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.584 -10.633 -10.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.520 -12.208 -9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.327 -10.832 -8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.038 -11.381 -9.130 1.00 0.00 H new ATOM 1054 N TYR A 70 12.396 -4.415 -6.364 1.00 0.00 N ATOM 1055 CA TYR A 70 12.272 -2.984 -6.103 1.00 0.00 C ATOM 1056 C TYR A 70 12.768 -2.649 -4.692 1.00 0.00 C ATOM 1057 O TYR A 70 12.415 -1.604 -4.143 1.00 0.00 O ATOM 1058 CB TYR A 70 10.821 -2.552 -6.363 1.00 0.00 C ATOM 1059 CG TYR A 70 10.411 -2.807 -7.799 1.00 0.00 C ATOM 1060 CD1 TYR A 70 11.000 -2.043 -8.824 1.00 0.00 C ATOM 1061 CD2 TYR A 70 9.748 -4.007 -8.123 1.00 0.00 C ATOM 1062 CE1 TYR A 70 11.044 -2.537 -10.138 1.00 0.00 C ATOM 1063 CE2 TYR A 70 9.801 -4.505 -9.435 1.00 0.00 C ATOM 1064 CZ TYR A 70 10.505 -3.803 -10.426 1.00 0.00 C ATOM 1065 OH TYR A 70 10.668 -4.355 -11.660 1.00 0.00 O ATOM 0 H TYR A 70 11.899 -4.997 -5.689 1.00 0.00 H new ATOM 0 HA TYR A 70 12.907 -2.415 -6.782 1.00 0.00 H new ATOM 0 HB2 TYR A 70 10.154 -3.093 -5.692 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.710 -1.492 -6.135 1.00 0.00 H new ATOM 0 HD1 TYR A 70 11.420 -1.074 -8.599 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.199 -4.544 -7.363 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.490 -1.946 -10.924 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.300 -5.429 -9.682 1.00 0.00 H new ATOM 0 HH TYR A 70 10.233 -5.233 -11.686 1.00 0.00 H new ATOM 1075 N GLY A 71 13.588 -3.538 -4.111 1.00 0.00 N ATOM 1076 CA GLY A 71 14.170 -3.425 -2.779 1.00 0.00 C ATOM 1077 C GLY A 71 13.166 -2.872 -1.775 1.00 0.00 C ATOM 1078 O GLY A 71 13.499 -1.977 -1.004 1.00 0.00 O ATOM 0 H GLY A 71 13.873 -4.394 -4.586 1.00 0.00 H new ATOM 0 HA2 GLY A 71 14.515 -4.404 -2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 71 15.044 -2.775 -2.817 1.00 0.00 H new ATOM 1082 N ILE A 72 11.925 -3.363 -1.831 1.00 0.00 N ATOM 1083 CA ILE A 72 10.834 -2.844 -1.017 1.00 0.00 C ATOM 1084 C ILE A 72 11.168 -2.830 0.479 1.00 0.00 C ATOM 1085 O ILE A 72 11.775 -3.760 1.004 1.00 0.00 O ATOM 1086 CB ILE A 72 9.525 -3.561 -1.386 1.00 0.00 C ATOM 1087 CG1 ILE A 72 9.140 -3.080 -2.798 1.00 0.00 C ATOM 1088 CG2 ILE A 72 8.410 -3.284 -0.374 1.00 0.00 C ATOM 1089 CD1 ILE A 72 7.792 -3.597 -3.282 1.00 0.00 C ATOM 0 H ILE A 72 11.653 -4.132 -2.444 1.00 0.00 H new ATOM 0 HA ILE A 72 10.684 -1.789 -1.247 1.00 0.00 H new ATOM 0 HB ILE A 72 9.668 -4.641 -1.368 1.00 0.00 H new ATOM 0 HG12 ILE A 72 9.124 -1.990 -2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 72 9.912 -3.394 -3.501 1.00 0.00 H new ATOM 0 HG21 ILE A 72 7.505 -3.811 -0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 72 8.719 -3.630 0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 72 8.211 -2.213 -0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.594 -3.214 -4.283 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.808 -4.687 -3.307 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.008 -3.261 -2.603 1.00 0.00 H new ATOM 1101 N ARG A 73 10.776 -1.738 1.147 1.00 0.00 N ATOM 1102 CA ARG A 73 11.084 -1.470 2.545 1.00 0.00 C ATOM 1103 C ARG A 73 10.170 -2.270 3.477 1.00 0.00 C ATOM 1104 O ARG A 73 10.605 -2.778 4.507 1.00 0.00 O ATOM 1105 CB ARG A 73 10.893 0.030 2.851 1.00 0.00 C ATOM 1106 CG ARG A 73 11.122 1.038 1.712 1.00 0.00 C ATOM 1107 CD ARG A 73 12.434 0.887 0.928 1.00 0.00 C ATOM 1108 NE ARG A 73 12.222 0.409 -0.449 1.00 0.00 N ATOM 1109 CZ ARG A 73 11.628 1.088 -1.442 1.00 0.00 C ATOM 1110 NH1 ARG A 73 11.099 2.292 -1.206 1.00 0.00 N ATOM 1111 NH2 ARG A 73 11.568 0.566 -2.673 1.00 0.00 N ATOM 0 H ARG A 73 10.221 -1.001 0.712 1.00 0.00 H new ATOM 0 HA ARG A 73 12.119 -1.765 2.715 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.876 0.168 3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.566 0.292 3.668 1.00 0.00 H new ATOM 0 HG2 ARG A 73 10.292 0.957 1.010 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.087 2.043 2.132 1.00 0.00 H new ATOM 0 HD2 ARG A 73 12.948 1.848 0.900 1.00 0.00 H new ATOM 0 HD3 ARG A 73 13.088 0.191 1.453 1.00 0.00 H new ATOM 0 HE ARG A 73 12.559 -0.528 -0.669 1.00 0.00 H new ATOM 0 HH11 ARG A 73 11.147 2.695 -0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.648 2.808 -1.961 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.975 -0.351 -2.859 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.116 1.085 -3.426 1.00 0.00 H new ATOM 1125 N GLY A 74 8.886 -2.342 3.125 1.00 0.00 N ATOM 1126 CA GLY A 74 7.841 -3.002 3.886 1.00 0.00 C ATOM 1127 C GLY A 74 6.559 -2.864 3.078 1.00 0.00 C ATOM 1128 O GLY A 74 6.630 -2.751 1.856 1.00 0.00 O ATOM 0 H GLY A 74 8.538 -1.922 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.085 -4.052 4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.730 -2.544 4.869 1.00 0.00 H new ATOM 1132 N ILE A 75 5.394 -2.830 3.722 1.00 0.00 N ATOM 1133 CA ILE A 75 4.116 -2.666 3.040 1.00 0.00 C ATOM 1134 C ILE A 75 3.153 -1.907 3.961 1.00 0.00 C ATOM 1135 O ILE A 75 3.321 -1.991 5.178 1.00 0.00 O ATOM 1136 CB ILE A 75 3.540 -4.035 2.632 1.00 0.00 C ATOM 1137 CG1 ILE A 75 3.673 -5.056 3.772 1.00 0.00 C ATOM 1138 CG2 ILE A 75 4.197 -4.565 1.350 1.00 0.00 C ATOM 1139 CD1 ILE A 75 2.741 -6.239 3.553 1.00 0.00 C ATOM 0 H ILE A 75 5.312 -2.916 4.735 1.00 0.00 H new ATOM 0 HA ILE A 75 4.259 -2.090 2.126 1.00 0.00 H new ATOM 0 HB ILE A 75 2.479 -3.890 2.427 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.703 -5.406 3.834 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.442 -4.577 4.723 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.765 -5.532 1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.024 -3.862 0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.269 -4.677 1.510 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.854 -6.948 4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.710 -5.888 3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.991 -6.730 2.612 1.00 0.00 H new ATOM 1151 N PRO A 76 2.145 -1.191 3.430 1.00 0.00 N ATOM 1152 CA PRO A 76 1.865 -1.016 2.013 1.00 0.00 C ATOM 1153 C PRO A 76 2.928 -0.124 1.367 1.00 0.00 C ATOM 1154 O PRO A 76 3.379 0.839 1.985 1.00 0.00 O ATOM 1155 CB PRO A 76 0.486 -0.358 1.943 1.00 0.00 C ATOM 1156 CG PRO A 76 0.397 0.416 3.257 1.00 0.00 C ATOM 1157 CD PRO A 76 1.172 -0.469 4.233 1.00 0.00 C ATOM 0 HA PRO A 76 1.881 -1.964 1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 76 0.399 0.303 1.081 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.309 -1.099 1.858 1.00 0.00 H new ATOM 0 HG2 PRO A 76 0.841 1.408 3.172 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -0.637 0.556 3.573 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.665 0.131 4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.504 -1.158 4.750 1.00 0.00 H new ATOM 1165 N THR A 77 3.326 -0.454 0.136 1.00 0.00 N ATOM 1166 CA THR A 77 4.306 0.314 -0.623 1.00 0.00 C ATOM 1167 C THR A 77 3.746 0.486 -2.030 1.00 0.00 C ATOM 1168 O THR A 77 3.375 -0.500 -2.667 1.00 0.00 O ATOM 1169 CB THR A 77 5.681 -0.369 -0.599 1.00 0.00 C ATOM 1170 OG1 THR A 77 6.186 -0.337 0.718 1.00 0.00 O ATOM 1171 CG2 THR A 77 6.702 0.347 -1.485 1.00 0.00 C ATOM 0 H THR A 77 2.972 -1.270 -0.363 1.00 0.00 H new ATOM 0 HA THR A 77 4.471 1.296 -0.180 1.00 0.00 H new ATOM 0 HB THR A 77 5.540 -1.385 -0.967 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.446 -1.242 0.991 1.00 0.00 H new ATOM 0 HG21 THR A 77 7.658 -0.175 -1.434 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.348 0.354 -2.516 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.829 1.372 -1.138 1.00 0.00 H new ATOM 1179 N LEU A 78 3.665 1.735 -2.493 1.00 0.00 N ATOM 1180 CA LEU A 78 3.113 2.108 -3.781 1.00 0.00 C ATOM 1181 C LEU A 78 4.256 2.429 -4.742 1.00 0.00 C ATOM 1182 O LEU A 78 5.074 3.292 -4.432 1.00 0.00 O ATOM 1183 CB LEU A 78 2.201 3.341 -3.628 1.00 0.00 C ATOM 1184 CG LEU A 78 1.276 3.337 -2.400 1.00 0.00 C ATOM 1185 CD1 LEU A 78 0.406 4.596 -2.386 1.00 0.00 C ATOM 1186 CD2 LEU A 78 0.367 2.104 -2.374 1.00 0.00 C ATOM 0 H LEU A 78 3.996 2.537 -1.957 1.00 0.00 H new ATOM 0 HA LEU A 78 2.523 1.281 -4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.829 4.231 -3.584 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.586 3.428 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 78 1.916 3.314 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.244 4.580 -1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.044 5.479 -2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.203 4.628 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.270 2.140 -1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.254 2.091 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.978 1.202 -2.344 1.00 0.00 H new ATOM 1198 N LEU A 79 4.306 1.773 -5.903 1.00 0.00 N ATOM 1199 CA LEU A 79 5.269 2.046 -6.969 1.00 0.00 C ATOM 1200 C LEU A 79 4.434 2.564 -8.134 1.00 0.00 C ATOM 1201 O LEU A 79 3.588 1.832 -8.647 1.00 0.00 O ATOM 1202 CB LEU A 79 5.991 0.771 -7.428 1.00 0.00 C ATOM 1203 CG LEU A 79 7.137 0.217 -6.566 1.00 0.00 C ATOM 1204 CD1 LEU A 79 8.406 1.055 -6.718 1.00 0.00 C ATOM 1205 CD2 LEU A 79 6.774 0.095 -5.090 1.00 0.00 C ATOM 0 H LEU A 79 3.660 1.018 -6.133 1.00 0.00 H new ATOM 0 HA LEU A 79 6.030 2.746 -6.623 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.242 -0.015 -7.526 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.389 0.958 -8.425 1.00 0.00 H new ATOM 0 HG LEU A 79 7.323 -0.790 -6.940 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.196 0.635 -6.095 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.724 1.048 -7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.205 2.080 -6.407 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.626 -0.302 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.512 1.078 -4.697 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.924 -0.578 -4.979 1.00 0.00 H new ATOM 1217 N LEU A 80 4.654 3.810 -8.556 1.00 0.00 N ATOM 1218 CA LEU A 80 3.910 4.386 -9.663 1.00 0.00 C ATOM 1219 C LEU A 80 4.730 4.191 -10.933 1.00 0.00 C ATOM 1220 O LEU A 80 5.622 4.979 -11.239 1.00 0.00 O ATOM 1221 CB LEU A 80 3.577 5.839 -9.331 1.00 0.00 C ATOM 1222 CG LEU A 80 2.744 6.568 -10.402 1.00 0.00 C ATOM 1223 CD1 LEU A 80 1.766 5.691 -11.193 1.00 0.00 C ATOM 1224 CD2 LEU A 80 1.903 7.621 -9.683 1.00 0.00 C ATOM 0 H LEU A 80 5.345 4.436 -8.143 1.00 0.00 H new ATOM 0 HA LEU A 80 2.952 3.894 -9.831 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.034 5.867 -8.386 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.508 6.386 -9.180 1.00 0.00 H new ATOM 0 HG LEU A 80 3.461 6.962 -11.122 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.232 6.305 -11.919 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.318 4.910 -11.715 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.051 5.234 -10.508 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.297 8.161 -10.410 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.251 7.133 -8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.560 8.321 -9.167 1.00 0.00 H new ATOM 1236 N PHE A 81 4.421 3.117 -11.659 1.00 0.00 N ATOM 1237 CA PHE A 81 5.088 2.716 -12.883 1.00 0.00 C ATOM 1238 C PHE A 81 4.450 3.413 -14.078 1.00 0.00 C ATOM 1239 O PHE A 81 3.401 2.975 -14.538 1.00 0.00 O ATOM 1240 CB PHE A 81 4.966 1.195 -13.046 1.00 0.00 C ATOM 1241 CG PHE A 81 5.919 0.398 -12.179 1.00 0.00 C ATOM 1242 CD1 PHE A 81 7.211 0.104 -12.650 1.00 0.00 C ATOM 1243 CD2 PHE A 81 5.494 -0.117 -10.942 1.00 0.00 C ATOM 1244 CE1 PHE A 81 8.067 -0.722 -11.903 1.00 0.00 C ATOM 1245 CE2 PHE A 81 6.339 -0.970 -10.212 1.00 0.00 C ATOM 1246 CZ PHE A 81 7.642 -1.231 -10.667 1.00 0.00 C ATOM 0 H PHE A 81 3.668 2.482 -11.394 1.00 0.00 H new ATOM 0 HA PHE A 81 6.140 2.998 -12.832 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.944 0.897 -12.812 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.142 0.938 -14.091 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.547 0.515 -13.591 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.520 0.142 -10.554 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.050 -0.965 -12.279 1.00 0.00 H new ATOM 0 HE2 PHE A 81 5.986 -1.426 -9.299 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.316 -1.823 -10.066 1.00 0.00 H new ATOM 1256 N LYS A 82 5.093 4.450 -14.614 1.00 0.00 N ATOM 1257 CA LYS A 82 4.653 5.117 -15.829 1.00 0.00 C ATOM 1258 C LYS A 82 5.482 4.537 -16.971 1.00 0.00 C ATOM 1259 O LYS A 82 6.702 4.678 -16.986 1.00 0.00 O ATOM 1260 CB LYS A 82 4.780 6.641 -15.719 1.00 0.00 C ATOM 1261 CG LYS A 82 3.765 7.186 -14.705 1.00 0.00 C ATOM 1262 CD LYS A 82 3.776 8.714 -14.531 1.00 0.00 C ATOM 1263 CE LYS A 82 3.482 9.500 -15.815 1.00 0.00 C ATOM 1264 NZ LYS A 82 4.703 9.774 -16.594 1.00 0.00 N ATOM 0 H LYS A 82 5.940 4.850 -14.211 1.00 0.00 H new ATOM 0 HA LYS A 82 3.593 4.940 -16.010 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.791 6.908 -15.411 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.612 7.098 -16.694 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.766 6.878 -15.012 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.957 6.724 -13.737 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.039 8.987 -13.776 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.751 9.017 -14.149 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.780 8.938 -16.430 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.998 10.442 -15.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.866 10.800 -16.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.516 9.313 -16.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 4.590 9.403 -17.559 1.00 0.00 H new ATOM 1278 N ASN A 83 4.830 3.833 -17.899 1.00 0.00 N ATOM 1279 CA ASN A 83 5.488 3.182 -19.027 1.00 0.00 C ATOM 1280 C ASN A 83 6.606 2.263 -18.522 1.00 0.00 C ATOM 1281 O ASN A 83 7.733 2.295 -19.010 1.00 0.00 O ATOM 1282 CB ASN A 83 5.965 4.227 -20.048 1.00 0.00 C ATOM 1283 CG ASN A 83 6.182 3.627 -21.436 1.00 0.00 C ATOM 1284 OD1 ASN A 83 5.415 3.894 -22.356 1.00 0.00 O ATOM 1285 ND2 ASN A 83 7.207 2.801 -21.609 1.00 0.00 N ATOM 0 H ASN A 83 3.819 3.699 -17.885 1.00 0.00 H new ATOM 0 HA ASN A 83 4.777 2.547 -19.556 1.00 0.00 H new ATOM 0 HB2 ASN A 83 5.230 5.030 -20.113 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.896 4.674 -19.699 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.370 2.374 -22.521 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.832 2.593 -20.830 1.00 0.00 H new ATOM 1292 N GLY A 84 6.294 1.455 -17.507 1.00 0.00 N ATOM 1293 CA GLY A 84 7.242 0.533 -16.901 1.00 0.00 C ATOM 1294 C GLY A 84 8.360 1.210 -16.098 1.00 0.00 C ATOM 1295 O GLY A 84 9.172 0.501 -15.505 1.00 0.00 O ATOM 0 H GLY A 84 5.367 1.426 -17.083 1.00 0.00 H new ATOM 0 HA2 GLY A 84 6.700 -0.147 -16.244 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.692 -0.074 -17.686 1.00 0.00 H new ATOM 1299 N GLU A 85 8.416 2.547 -16.037 1.00 0.00 N ATOM 1300 CA GLU A 85 9.434 3.276 -15.291 1.00 0.00 C ATOM 1301 C GLU A 85 8.828 3.800 -13.994 1.00 0.00 C ATOM 1302 O GLU A 85 7.784 4.450 -14.016 1.00 0.00 O ATOM 1303 CB GLU A 85 9.969 4.434 -16.140 1.00 0.00 C ATOM 1304 CG GLU A 85 10.670 3.914 -17.400 1.00 0.00 C ATOM 1305 CD GLU A 85 11.084 5.063 -18.314 1.00 0.00 C ATOM 1306 OE1 GLU A 85 12.165 5.634 -18.049 1.00 0.00 O ATOM 1307 OE2 GLU A 85 10.311 5.355 -19.252 1.00 0.00 O ATOM 0 H GLU A 85 7.746 3.153 -16.511 1.00 0.00 H new ATOM 0 HA GLU A 85 10.263 2.610 -15.052 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.147 5.092 -16.422 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.667 5.029 -15.551 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.549 3.335 -17.118 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.004 3.240 -17.938 1.00 0.00 H new ATOM 1314 N VAL A 86 9.485 3.536 -12.864 1.00 0.00 N ATOM 1315 CA VAL A 86 9.034 4.022 -11.566 1.00 0.00 C ATOM 1316 C VAL A 86 9.158 5.549 -11.566 1.00 0.00 C ATOM 1317 O VAL A 86 10.256 6.081 -11.425 1.00 0.00 O ATOM 1318 CB VAL A 86 9.845 3.365 -10.431 1.00 0.00 C ATOM 1319 CG1 VAL A 86 9.412 3.892 -9.062 1.00 0.00 C ATOM 1320 CG2 VAL A 86 9.645 1.843 -10.433 1.00 0.00 C ATOM 0 H VAL A 86 10.340 2.982 -12.826 1.00 0.00 H new ATOM 0 HA VAL A 86 7.993 3.752 -11.390 1.00 0.00 H new ATOM 0 HB VAL A 86 10.892 3.611 -10.607 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.002 3.409 -8.283 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.569 4.970 -9.021 1.00 0.00 H new ATOM 0 HG13 VAL A 86 8.356 3.673 -8.905 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.226 1.399 -9.625 1.00 0.00 H new ATOM 0 HG22 VAL A 86 8.589 1.615 -10.289 1.00 0.00 H new ATOM 0 HG23 VAL A 86 9.978 1.434 -11.387 1.00 0.00 H new ATOM 1330 N ALA A 87 8.035 6.250 -11.730 1.00 0.00 N ATOM 1331 CA ALA A 87 7.988 7.703 -11.759 1.00 0.00 C ATOM 1332 C ALA A 87 8.048 8.246 -10.337 1.00 0.00 C ATOM 1333 O ALA A 87 8.707 9.250 -10.076 1.00 0.00 O ATOM 1334 CB ALA A 87 6.698 8.153 -12.446 1.00 0.00 C ATOM 0 H ALA A 87 7.121 5.812 -11.848 1.00 0.00 H new ATOM 0 HA ALA A 87 8.842 8.088 -12.317 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.659 9.242 -12.470 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.675 7.767 -13.465 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.839 7.771 -11.894 1.00 0.00 H new ATOM 1340 N ALA A 88 7.373 7.561 -9.411 1.00 0.00 N ATOM 1341 CA ALA A 88 7.362 7.907 -8.005 1.00 0.00 C ATOM 1342 C ALA A 88 7.162 6.634 -7.196 1.00 0.00 C ATOM 1343 O ALA A 88 6.824 5.574 -7.733 1.00 0.00 O ATOM 1344 CB ALA A 88 6.274 8.940 -7.710 1.00 0.00 C ATOM 0 H ALA A 88 6.812 6.738 -9.630 1.00 0.00 H new ATOM 0 HA ALA A 88 8.312 8.362 -7.725 1.00 0.00 H new ATOM 0 HB1 ALA A 88 6.284 9.185 -6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.461 9.842 -8.293 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.300 8.530 -7.979 1.00 0.00 H new ATOM 1350 N THR A 89 7.388 6.733 -5.890 1.00 0.00 N ATOM 1351 CA THR A 89 7.274 5.625 -4.968 1.00 0.00 C ATOM 1352 C THR A 89 6.801 6.191 -3.635 1.00 0.00 C ATOM 1353 O THR A 89 7.075 7.353 -3.335 1.00 0.00 O ATOM 1354 CB THR A 89 8.629 4.910 -4.882 1.00 0.00 C ATOM 1355 OG1 THR A 89 8.969 4.425 -6.161 1.00 0.00 O ATOM 1356 CG2 THR A 89 8.626 3.737 -3.898 1.00 0.00 C ATOM 0 H THR A 89 7.661 7.607 -5.441 1.00 0.00 H new ATOM 0 HA THR A 89 6.550 4.878 -5.294 1.00 0.00 H new ATOM 0 HB THR A 89 9.356 5.637 -4.520 1.00 0.00 H new ATOM 0 HG1 THR A 89 9.835 3.967 -6.118 1.00 0.00 H new ATOM 0 HG21 THR A 89 9.612 3.273 -3.882 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.380 4.100 -2.900 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.884 3.002 -4.210 1.00 0.00 H new ATOM 1364 N LYS A 90 6.063 5.389 -2.870 1.00 0.00 N ATOM 1365 CA LYS A 90 5.489 5.775 -1.595 1.00 0.00 C ATOM 1366 C LYS A 90 5.558 4.567 -0.666 1.00 0.00 C ATOM 1367 O LYS A 90 5.341 3.448 -1.121 1.00 0.00 O ATOM 1368 CB LYS A 90 4.037 6.215 -1.835 1.00 0.00 C ATOM 1369 CG LYS A 90 3.748 7.595 -1.254 1.00 0.00 C ATOM 1370 CD LYS A 90 3.810 7.668 0.278 1.00 0.00 C ATOM 1371 CE LYS A 90 2.930 6.618 0.968 1.00 0.00 C ATOM 1372 NZ LYS A 90 2.846 6.866 2.417 1.00 0.00 N ATOM 0 H LYS A 90 5.845 4.428 -3.133 1.00 0.00 H new ATOM 0 HA LYS A 90 6.030 6.603 -1.138 1.00 0.00 H new ATOM 0 HB2 LYS A 90 3.835 6.224 -2.906 1.00 0.00 H new ATOM 0 HB3 LYS A 90 3.360 5.486 -1.389 1.00 0.00 H new ATOM 0 HG2 LYS A 90 4.463 8.306 -1.668 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.757 7.912 -1.580 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.843 7.536 0.600 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.500 8.662 0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 90 1.930 6.635 0.534 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.338 5.623 0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.893 6.624 2.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.549 6.280 2.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.037 7.870 2.609 1.00 0.00 H new ATOM 1386 N VAL A 91 5.855 4.786 0.616 1.00 0.00 N ATOM 1387 CA VAL A 91 5.950 3.745 1.632 1.00 0.00 C ATOM 1388 C VAL A 91 5.009 4.148 2.769 1.00 0.00 C ATOM 1389 O VAL A 91 5.078 5.286 3.233 1.00 0.00 O ATOM 1390 CB VAL A 91 7.408 3.629 2.118 1.00 0.00 C ATOM 1391 CG1 VAL A 91 7.573 2.449 3.087 1.00 0.00 C ATOM 1392 CG2 VAL A 91 8.384 3.439 0.947 1.00 0.00 C ATOM 0 H VAL A 91 6.041 5.719 0.983 1.00 0.00 H new ATOM 0 HA VAL A 91 5.663 2.769 1.241 1.00 0.00 H new ATOM 0 HB VAL A 91 7.640 4.563 2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 91 8.611 2.390 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.927 2.596 3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 91 7.298 1.523 2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 91 9.401 3.361 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 91 8.130 2.528 0.406 1.00 0.00 H new ATOM 0 HG23 VAL A 91 8.314 4.293 0.273 1.00 0.00 H new ATOM 1402 N GLY A 92 4.123 3.247 3.194 1.00 0.00 N ATOM 1403 CA GLY A 92 3.156 3.498 4.254 1.00 0.00 C ATOM 1404 C GLY A 92 1.802 3.935 3.691 1.00 0.00 C ATOM 1405 O GLY A 92 1.637 4.105 2.484 1.00 0.00 O ATOM 0 H GLY A 92 4.059 2.307 2.802 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.028 2.595 4.851 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.539 4.270 4.921 1.00 0.00 H new ATOM 1409 N ALA A 93 0.821 4.107 4.581 1.00 0.00 N ATOM 1410 CA ALA A 93 -0.529 4.521 4.219 1.00 0.00 C ATOM 1411 C ALA A 93 -0.573 6.000 3.818 1.00 0.00 C ATOM 1412 O ALA A 93 0.415 6.719 3.957 1.00 0.00 O ATOM 1413 CB ALA A 93 -1.472 4.233 5.390 1.00 0.00 C ATOM 0 H ALA A 93 0.947 3.960 5.582 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.855 3.951 3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.484 4.540 5.126 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.463 3.166 5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.142 4.788 6.268 1.00 0.00 H new ATOM 1419 N LEU A 94 -1.734 6.449 3.332 1.00 0.00 N ATOM 1420 CA LEU A 94 -1.993 7.817 2.899 1.00 0.00 C ATOM 1421 C LEU A 94 -3.439 8.176 3.203 1.00 0.00 C ATOM 1422 O LEU A 94 -4.286 7.292 3.331 1.00 0.00 O ATOM 1423 CB LEU A 94 -1.839 7.913 1.374 1.00 0.00 C ATOM 1424 CG LEU A 94 -0.422 8.257 0.916 1.00 0.00 C ATOM 1425 CD1 LEU A 94 -0.252 7.790 -0.527 1.00 0.00 C ATOM 1426 CD2 LEU A 94 -0.222 9.772 0.925 1.00 0.00 C ATOM 0 H LEU A 94 -2.548 5.843 3.227 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.296 8.479 3.413 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.134 6.963 0.928 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.526 8.670 0.996 1.00 0.00 H new ATOM 0 HG LEU A 94 0.293 7.777 1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.755 8.028 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.409 6.713 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.980 8.295 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.791 10.007 0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.940 10.238 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.374 10.153 1.935 1.00 0.00 H new ATOM 1438 N SER A 95 -3.721 9.478 3.220 1.00 0.00 N ATOM 1439 CA SER A 95 -5.063 10.017 3.281 1.00 0.00 C ATOM 1440 C SER A 95 -5.482 10.233 1.824 1.00 0.00 C ATOM 1441 O SER A 95 -4.631 10.435 0.952 1.00 0.00 O ATOM 1442 CB SER A 95 -5.043 11.322 4.080 1.00 0.00 C ATOM 1443 OG SER A 95 -4.017 12.169 3.597 1.00 0.00 O ATOM 0 H SER A 95 -2.999 10.198 3.191 1.00 0.00 H new ATOM 0 HA SER A 95 -5.771 9.357 3.782 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.008 11.823 3.999 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.883 11.109 5.137 1.00 0.00 H new ATOM 0 HG SER A 95 -4.012 13.003 4.112 1.00 0.00 H new ATOM 1449 N LYS A 96 -6.786 10.176 1.544 1.00 0.00 N ATOM 1450 CA LYS A 96 -7.294 10.314 0.186 1.00 0.00 C ATOM 1451 C LYS A 96 -6.732 11.563 -0.500 1.00 0.00 C ATOM 1452 O LYS A 96 -6.257 11.486 -1.630 1.00 0.00 O ATOM 1453 CB LYS A 96 -8.827 10.292 0.198 1.00 0.00 C ATOM 1454 CG LYS A 96 -9.367 10.127 -1.226 1.00 0.00 C ATOM 1455 CD LYS A 96 -10.877 9.859 -1.199 1.00 0.00 C ATOM 1456 CE LYS A 96 -11.404 9.538 -2.601 1.00 0.00 C ATOM 1457 NZ LYS A 96 -10.817 8.295 -3.129 1.00 0.00 N ATOM 0 H LYS A 96 -7.510 10.034 2.248 1.00 0.00 H new ATOM 0 HA LYS A 96 -6.952 9.465 -0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -9.181 9.474 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -9.207 11.216 0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -9.161 11.027 -1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.854 9.303 -1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.090 9.027 -0.528 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -11.397 10.731 -0.802 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -12.489 9.444 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -11.175 10.364 -3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -11.282 8.045 -4.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.800 8.434 -3.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -10.955 7.527 -2.442 1.00 0.00 H new ATOM 1471 N GLY A 97 -6.767 12.705 0.192 1.00 0.00 N ATOM 1472 CA GLY A 97 -6.243 13.957 -0.330 1.00 0.00 C ATOM 1473 C GLY A 97 -4.785 13.802 -0.765 1.00 0.00 C ATOM 1474 O GLY A 97 -4.461 13.983 -1.934 1.00 0.00 O ATOM 0 H GLY A 97 -7.161 12.781 1.130 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -6.846 14.283 -1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.318 14.733 0.432 1.00 0.00 H new ATOM 1478 N GLN A 98 -3.900 13.440 0.166 1.00 0.00 N ATOM 1479 CA GLN A 98 -2.485 13.271 -0.129 1.00 0.00 C ATOM 1480 C GLN A 98 -2.269 12.299 -1.285 1.00 0.00 C ATOM 1481 O GLN A 98 -1.440 12.557 -2.158 1.00 0.00 O ATOM 1482 CB GLN A 98 -1.750 12.839 1.139 1.00 0.00 C ATOM 1483 CG GLN A 98 -1.780 13.916 2.234 1.00 0.00 C ATOM 1484 CD GLN A 98 -0.860 15.102 1.940 1.00 0.00 C ATOM 1485 OE1 GLN A 98 0.238 15.175 2.479 1.00 0.00 O ATOM 1486 NE2 GLN A 98 -1.278 16.046 1.099 1.00 0.00 N ATOM 0 H GLN A 98 -4.147 13.258 1.139 1.00 0.00 H new ATOM 0 HA GLN A 98 -2.070 14.225 -0.455 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.201 11.924 1.522 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.714 12.605 0.893 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.802 14.278 2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -1.490 13.467 3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -2.195 15.968 0.660 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.681 16.847 0.894 1.00 0.00 H new ATOM 1495 N LEU A 99 -3.025 11.199 -1.318 1.00 0.00 N ATOM 1496 CA LEU A 99 -2.922 10.256 -2.418 1.00 0.00 C ATOM 1497 C LEU A 99 -3.284 10.960 -3.731 1.00 0.00 C ATOM 1498 O LEU A 99 -2.524 10.886 -4.694 1.00 0.00 O ATOM 1499 CB LEU A 99 -3.775 9.018 -2.118 1.00 0.00 C ATOM 1500 CG LEU A 99 -3.763 7.945 -3.217 1.00 0.00 C ATOM 1501 CD1 LEU A 99 -2.357 7.501 -3.644 1.00 0.00 C ATOM 1502 CD2 LEU A 99 -4.504 6.720 -2.673 1.00 0.00 C ATOM 0 H LEU A 99 -3.706 10.947 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.898 9.899 -2.533 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.425 8.570 -1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.804 9.335 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.235 8.379 -4.098 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.436 6.742 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.805 8.359 -4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.830 7.086 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.515 5.936 -3.430 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.997 6.355 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -5.528 6.996 -2.422 1.00 0.00 H new ATOM 1514 N LYS A 100 -4.406 11.687 -3.766 1.00 0.00 N ATOM 1515 CA LYS A 100 -4.789 12.449 -4.948 1.00 0.00 C ATOM 1516 C LYS A 100 -3.665 13.410 -5.348 1.00 0.00 C ATOM 1517 O LYS A 100 -3.288 13.428 -6.514 1.00 0.00 O ATOM 1518 CB LYS A 100 -6.113 13.193 -4.742 1.00 0.00 C ATOM 1519 CG LYS A 100 -7.296 12.218 -4.705 1.00 0.00 C ATOM 1520 CD LYS A 100 -8.623 12.875 -4.302 1.00 0.00 C ATOM 1521 CE LYS A 100 -9.064 14.003 -5.245 1.00 0.00 C ATOM 1522 NZ LYS A 100 -8.467 15.303 -4.887 1.00 0.00 N ATOM 0 H LYS A 100 -5.061 11.760 -2.987 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.947 11.745 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.075 13.758 -3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.257 13.914 -5.547 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.410 11.762 -5.688 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.071 11.414 -4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.402 12.113 -4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.529 13.274 -3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.785 13.748 -6.267 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.151 14.087 -5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.221 16.007 -4.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.926 15.205 -4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -7.832 15.615 -5.649 1.00 0.00 H new ATOM 1536 N GLU A 101 -3.102 14.178 -4.406 1.00 0.00 N ATOM 1537 CA GLU A 101 -1.996 15.085 -4.716 1.00 0.00 C ATOM 1538 C GLU A 101 -0.832 14.315 -5.357 1.00 0.00 C ATOM 1539 O GLU A 101 -0.345 14.697 -6.419 1.00 0.00 O ATOM 1540 CB GLU A 101 -1.502 15.841 -3.470 1.00 0.00 C ATOM 1541 CG GLU A 101 -2.348 17.062 -3.076 1.00 0.00 C ATOM 1542 CD GLU A 101 -3.509 16.742 -2.141 1.00 0.00 C ATOM 1543 OE1 GLU A 101 -3.223 16.495 -0.946 1.00 0.00 O ATOM 1544 OE2 GLU A 101 -4.662 16.783 -2.625 1.00 0.00 O ATOM 0 H GLU A 101 -3.394 14.188 -3.429 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.375 15.823 -5.424 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.477 15.148 -2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.477 16.168 -3.644 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.702 17.798 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -2.742 17.525 -3.981 1.00 0.00 H new ATOM 1551 N PHE A 102 -0.387 13.235 -4.710 1.00 0.00 N ATOM 1552 CA PHE A 102 0.705 12.391 -5.192 1.00 0.00 C ATOM 1553 C PHE A 102 0.447 11.957 -6.641 1.00 0.00 C ATOM 1554 O PHE A 102 1.298 12.115 -7.518 1.00 0.00 O ATOM 1555 CB PHE A 102 0.865 11.189 -4.250 1.00 0.00 C ATOM 1556 CG PHE A 102 1.877 10.142 -4.684 1.00 0.00 C ATOM 1557 CD1 PHE A 102 3.225 10.250 -4.295 1.00 0.00 C ATOM 1558 CD2 PHE A 102 1.448 9.010 -5.405 1.00 0.00 C ATOM 1559 CE1 PHE A 102 4.134 9.221 -4.603 1.00 0.00 C ATOM 1560 CE2 PHE A 102 2.363 7.993 -5.732 1.00 0.00 C ATOM 1561 CZ PHE A 102 3.702 8.093 -5.323 1.00 0.00 C ATOM 0 H PHE A 102 -0.782 12.919 -3.824 1.00 0.00 H new ATOM 0 HA PHE A 102 1.639 12.953 -5.191 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.151 11.558 -3.265 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -0.106 10.706 -4.139 1.00 0.00 H new ATOM 0 HD1 PHE A 102 3.563 11.125 -3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 102 0.415 8.923 -5.707 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.164 9.298 -4.286 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.035 7.134 -6.299 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.400 7.304 -5.561 1.00 0.00 H new ATOM 1571 N LEU A 103 -0.743 11.413 -6.896 1.00 0.00 N ATOM 1572 CA LEU A 103 -1.127 10.960 -8.224 1.00 0.00 C ATOM 1573 C LEU A 103 -1.140 12.125 -9.209 1.00 0.00 C ATOM 1574 O LEU A 103 -0.502 12.050 -10.255 1.00 0.00 O ATOM 1575 CB LEU A 103 -2.490 10.268 -8.157 1.00 0.00 C ATOM 1576 CG LEU A 103 -2.427 8.985 -7.322 1.00 0.00 C ATOM 1577 CD1 LEU A 103 -3.843 8.455 -7.093 1.00 0.00 C ATOM 1578 CD2 LEU A 103 -1.527 7.931 -7.972 1.00 0.00 C ATOM 0 H LEU A 103 -1.463 11.276 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.392 10.240 -8.584 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.224 10.949 -7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.829 10.031 -9.165 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.980 9.218 -6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -3.798 7.542 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.431 9.204 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.311 8.240 -8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.508 7.036 -7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.916 7.679 -8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.516 8.326 -8.070 1.00 0.00 H new ATOM 1590 N ASP A 104 -1.842 13.206 -8.873 1.00 0.00 N ATOM 1591 CA ASP A 104 -1.949 14.409 -9.685 1.00 0.00 C ATOM 1592 C ASP A 104 -0.560 14.886 -10.103 1.00 0.00 C ATOM 1593 O ASP A 104 -0.319 15.129 -11.283 1.00 0.00 O ATOM 1594 CB ASP A 104 -2.693 15.499 -8.897 1.00 0.00 C ATOM 1595 CG ASP A 104 -4.175 15.206 -8.662 1.00 0.00 C ATOM 1596 OD1 ASP A 104 -4.703 14.272 -9.307 1.00 0.00 O ATOM 1597 OD2 ASP A 104 -4.765 15.928 -7.829 1.00 0.00 O ATOM 0 H ASP A 104 -2.367 13.267 -8.001 1.00 0.00 H new ATOM 0 HA ASP A 104 -2.516 14.188 -10.590 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -2.204 15.631 -7.932 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -2.602 16.444 -9.433 1.00 0.00 H new ATOM 1602 N ALA A 105 0.358 14.998 -9.141 1.00 0.00 N ATOM 1603 CA ALA A 105 1.729 15.420 -9.387 1.00 0.00 C ATOM 1604 C ALA A 105 2.425 14.528 -10.420 1.00 0.00 C ATOM 1605 O ALA A 105 3.211 15.020 -11.227 1.00 0.00 O ATOM 1606 CB ALA A 105 2.508 15.434 -8.069 1.00 0.00 C ATOM 0 H ALA A 105 0.164 14.795 -8.161 1.00 0.00 H new ATOM 0 HA ALA A 105 1.704 16.428 -9.802 1.00 0.00 H new ATOM 0 HB1 ALA A 105 3.534 15.750 -8.256 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.035 16.128 -7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.510 14.433 -7.637 1.00 0.00 H new ATOM 1612 N ASN A 106 2.134 13.224 -10.413 1.00 0.00 N ATOM 1613 CA ASN A 106 2.745 12.281 -11.345 1.00 0.00 C ATOM 1614 C ASN A 106 2.073 12.368 -12.712 1.00 0.00 C ATOM 1615 O ASN A 106 2.751 12.401 -13.736 1.00 0.00 O ATOM 1616 CB ASN A 106 2.640 10.849 -10.809 1.00 0.00 C ATOM 1617 CG ASN A 106 3.761 10.521 -9.835 1.00 0.00 C ATOM 1618 OD1 ASN A 106 4.754 9.915 -10.224 1.00 0.00 O ATOM 1619 ND2 ASN A 106 3.610 10.890 -8.566 1.00 0.00 N ATOM 0 H ASN A 106 1.472 12.798 -9.764 1.00 0.00 H new ATOM 0 HA ASN A 106 3.798 12.544 -11.450 1.00 0.00 H new ATOM 0 HB2 ASN A 106 1.679 10.717 -10.313 1.00 0.00 H new ATOM 0 HB3 ASN A 106 2.667 10.147 -11.643 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.333 10.670 -7.881 1.00 0.00 H new ATOM 0 HD22 ASN A 106 2.771 11.393 -8.278 1.00 0.00 H new ATOM 1626 N LEU A 107 0.739 12.395 -12.739 1.00 0.00 N ATOM 1627 CA LEU A 107 -0.036 12.481 -13.966 1.00 0.00 C ATOM 1628 C LEU A 107 0.318 13.771 -14.709 1.00 0.00 C ATOM 1629 O LEU A 107 0.516 13.757 -15.922 1.00 0.00 O ATOM 1630 CB LEU A 107 -1.531 12.408 -13.626 1.00 0.00 C ATOM 1631 CG LEU A 107 -1.962 11.027 -13.098 1.00 0.00 C ATOM 1632 CD1 LEU A 107 -3.325 11.146 -12.411 1.00 0.00 C ATOM 1633 CD2 LEU A 107 -2.059 9.987 -14.223 1.00 0.00 C ATOM 0 H LEU A 107 0.165 12.357 -11.897 1.00 0.00 H new ATOM 0 HA LEU A 107 0.202 11.645 -14.624 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -1.765 13.166 -12.878 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -2.112 12.648 -14.516 1.00 0.00 H new ATOM 0 HG LEU A 107 -1.203 10.692 -12.391 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -3.631 10.169 -12.037 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.253 11.847 -11.579 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -4.063 11.507 -13.127 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -2.366 9.028 -13.806 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -2.793 10.314 -14.959 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -1.087 9.879 -14.704 1.00 0.00 H new ATOM 1645 N ALA A 108 0.423 14.888 -13.984 1.00 0.00 N ATOM 1646 CA ALA A 108 0.798 16.170 -14.557 1.00 0.00 C ATOM 1647 C ALA A 108 2.176 16.062 -15.210 1.00 0.00 C ATOM 1648 O ALA A 108 2.706 17.052 -15.714 1.00 0.00 O ATOM 1649 CB ALA A 108 0.780 17.244 -13.464 1.00 0.00 C ATOM 0 H ALA A 108 0.248 14.922 -12.980 1.00 0.00 H new ATOM 0 HA ALA A 108 0.082 16.455 -15.328 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.061 18.205 -13.894 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.222 17.315 -13.040 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.488 16.976 -12.679 1.00 0.00 H new TER 1655 ALA A 108