USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 771 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 42 LYS NZ :NH3+ 170:sc= 0.00446 (180deg=-0.134) USER MOD Set 1.2: A 77 TYR OH : rot -38:sc= 0.245 USER MOD Set 2.1: A 25 THR OG1 : rot -128:sc= 0.182 USER MOD Set 2.2: A 67 HIS : no HD1:sc= 0.141 X(o=0.32,f=-0.01) USER MOD Set 3.1: A 41 LYS NZ :NH3+ 167:sc= 0 (180deg=0) USER MOD Set 3.2: A 80 MET CE :methyl -123:sc= -0.0434 (180deg=-0.804) USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.0498 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -5:sc= 0.585 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 122:sc= 0.0962 USER MOD Single : A 13 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.44) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 130:sc= -0.252 USER MOD Single : A 18 LYS NZ :NH3+ -110:sc= -0.122 (180deg=-3.04) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 9:sc= -0.397 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 CYS SG : rot -109:sc= -0.816 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.325 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0.292 X(o=0.29,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 1:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 117:sc= 0.0842 USER MOD Single : A 81 CYS SG : rot -83:sc= -3.45! USER MOD Single : A 83 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.4!) USER MOD Single : A 86 THR OG1 : rot 97:sc= -0.461 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -58:sc= 0.5 USER MOD Single : A 103 SER OG : rot 180:sc=-0.000409 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 30.125 33.052 7.970 1.00 0.00 N ATOM 2 CA GLY A 1 29.485 34.125 7.231 1.00 0.00 C ATOM 3 C GLY A 1 28.050 33.800 6.865 1.00 0.00 C ATOM 4 O GLY A 1 27.680 32.632 6.754 1.00 0.00 O ATOM 0 H1 GLY A 1 31.096 32.920 7.620 1.00 0.00 H new ATOM 0 H2 GLY A 1 30.151 33.294 8.981 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.587 32.171 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.507 35.037 7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.052 34.325 6.322 1.00 0.00 H new ATOM 8 N SER A 2 27.240 34.837 6.677 1.00 0.00 N ATOM 9 CA SER A 2 25.836 34.657 6.326 1.00 0.00 C ATOM 10 C SER A 2 25.695 33.778 5.087 1.00 0.00 C ATOM 11 O SER A 2 26.074 34.174 3.985 1.00 0.00 O ATOM 12 CB SER A 2 25.171 36.013 6.083 1.00 0.00 C ATOM 13 OG SER A 2 23.849 35.852 5.598 1.00 0.00 O ATOM 0 H SER A 2 27.532 35.811 6.762 1.00 0.00 H new ATOM 0 HA SER A 2 25.339 34.162 7.160 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.154 36.585 7.011 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.758 36.586 5.365 1.00 0.00 H new ATOM 0 HG SER A 2 23.445 36.733 5.452 1.00 0.00 H new ATOM 19 N SER A 3 25.145 32.583 5.276 1.00 0.00 N ATOM 20 CA SER A 3 24.957 31.645 4.175 1.00 0.00 C ATOM 21 C SER A 3 23.482 31.292 4.009 1.00 0.00 C ATOM 22 O SER A 3 22.846 30.783 4.931 1.00 0.00 O ATOM 23 CB SER A 3 25.773 30.374 4.414 1.00 0.00 C ATOM 24 OG SER A 3 25.780 29.548 3.263 1.00 0.00 O ATOM 0 H SER A 3 24.822 32.241 6.181 1.00 0.00 H new ATOM 0 HA SER A 3 25.304 32.124 3.259 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.796 30.640 4.681 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.356 29.824 5.258 1.00 0.00 H new ATOM 0 HG SER A 3 26.310 28.743 3.441 1.00 0.00 H new ATOM 30 N GLY A 4 22.943 31.568 2.825 1.00 0.00 N ATOM 31 CA GLY A 4 21.547 31.274 2.558 1.00 0.00 C ATOM 32 C GLY A 4 21.056 31.910 1.273 1.00 0.00 C ATOM 33 O GLY A 4 21.563 32.951 0.854 1.00 0.00 O ATOM 0 H GLY A 4 23.448 31.990 2.046 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.411 30.194 2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 4 20.939 31.628 3.390 1.00 0.00 H new ATOM 37 N SER A 5 20.068 31.283 0.643 1.00 0.00 N ATOM 38 CA SER A 5 19.512 31.791 -0.605 1.00 0.00 C ATOM 39 C SER A 5 18.163 31.144 -0.902 1.00 0.00 C ATOM 40 O SER A 5 18.040 29.919 -0.921 1.00 0.00 O ATOM 41 CB SER A 5 20.480 31.533 -1.761 1.00 0.00 C ATOM 42 OG SER A 5 20.399 30.189 -2.204 1.00 0.00 O ATOM 0 H SER A 5 19.636 30.422 0.977 1.00 0.00 H new ATOM 0 HA SER A 5 19.364 32.866 -0.497 1.00 0.00 H new ATOM 0 HB2 SER A 5 20.252 32.206 -2.588 1.00 0.00 H new ATOM 0 HB3 SER A 5 21.499 31.753 -1.442 1.00 0.00 H new ATOM 0 HG SER A 5 19.800 29.686 -1.614 1.00 0.00 H new ATOM 48 N SER A 6 17.152 31.976 -1.134 1.00 0.00 N ATOM 49 CA SER A 6 15.810 31.486 -1.427 1.00 0.00 C ATOM 50 C SER A 6 15.837 30.482 -2.576 1.00 0.00 C ATOM 51 O SER A 6 15.959 30.858 -3.741 1.00 0.00 O ATOM 52 CB SER A 6 14.884 32.653 -1.775 1.00 0.00 C ATOM 53 OG SER A 6 14.902 33.639 -0.758 1.00 0.00 O ATOM 0 H SER A 6 17.237 32.992 -1.125 1.00 0.00 H new ATOM 0 HA SER A 6 15.431 30.983 -0.538 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.193 33.097 -2.721 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.867 32.286 -1.912 1.00 0.00 H new ATOM 0 HG SER A 6 14.304 34.375 -1.005 1.00 0.00 H new ATOM 59 N GLY A 7 15.721 29.202 -2.237 1.00 0.00 N ATOM 60 CA GLY A 7 15.734 28.163 -3.250 1.00 0.00 C ATOM 61 C GLY A 7 14.456 27.349 -3.263 1.00 0.00 C ATOM 62 O GLY A 7 13.406 27.796 -2.800 1.00 0.00 O ATOM 0 H GLY A 7 15.618 28.866 -1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.882 28.617 -4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.581 27.500 -3.075 1.00 0.00 H new ATOM 66 N PRO A 8 14.534 26.124 -3.804 1.00 0.00 N ATOM 67 CA PRO A 8 13.383 25.221 -3.888 1.00 0.00 C ATOM 68 C PRO A 8 12.956 24.696 -2.522 1.00 0.00 C ATOM 69 O PRO A 8 13.670 24.860 -1.533 1.00 0.00 O ATOM 70 CB PRO A 8 13.895 24.075 -4.765 1.00 0.00 C ATOM 71 CG PRO A 8 15.373 24.086 -4.578 1.00 0.00 C ATOM 72 CD PRO A 8 15.754 25.527 -4.374 1.00 0.00 C ATOM 0 HA PRO A 8 12.501 25.722 -4.288 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.465 23.121 -4.461 1.00 0.00 H new ATOM 0 HB3 PRO A 8 13.627 24.227 -5.811 1.00 0.00 H new ATOM 0 HG2 PRO A 8 15.662 23.481 -3.719 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.880 23.668 -5.448 1.00 0.00 H new ATOM 0 HD2 PRO A 8 16.604 25.626 -3.698 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.035 26.005 -5.312 1.00 0.00 H new ATOM 80 N ALA A 9 11.787 24.066 -2.474 1.00 0.00 N ATOM 81 CA ALA A 9 11.266 23.515 -1.229 1.00 0.00 C ATOM 82 C ALA A 9 12.051 22.279 -0.805 1.00 0.00 C ATOM 83 O ALA A 9 12.278 21.371 -1.605 1.00 0.00 O ATOM 84 CB ALA A 9 9.789 23.180 -1.377 1.00 0.00 C ATOM 0 H ALA A 9 11.182 23.924 -3.283 1.00 0.00 H new ATOM 0 HA ALA A 9 11.380 24.270 -0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.413 22.769 -0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.234 24.085 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.660 22.446 -2.172 1.00 0.00 H new ATOM 90 N ARG A 10 12.464 22.250 0.458 1.00 0.00 N ATOM 91 CA ARG A 10 13.225 21.125 0.988 1.00 0.00 C ATOM 92 C ARG A 10 12.389 20.320 1.978 1.00 0.00 C ATOM 93 O ARG A 10 11.395 20.813 2.511 1.00 0.00 O ATOM 94 CB ARG A 10 14.502 21.622 1.668 1.00 0.00 C ATOM 95 CG ARG A 10 14.246 22.436 2.925 1.00 0.00 C ATOM 96 CD ARG A 10 14.173 21.549 4.158 1.00 0.00 C ATOM 97 NE ARG A 10 14.068 22.329 5.388 1.00 0.00 N ATOM 98 CZ ARG A 10 15.101 22.931 5.968 1.00 0.00 C ATOM 99 NH1 ARG A 10 16.310 22.843 5.431 1.00 0.00 N ATOM 100 NH2 ARG A 10 14.925 23.623 7.086 1.00 0.00 N ATOM 0 H ARG A 10 12.284 22.993 1.133 1.00 0.00 H new ATOM 0 HA ARG A 10 13.494 20.476 0.155 1.00 0.00 H new ATOM 0 HB2 ARG A 10 15.126 20.765 1.921 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.067 22.229 0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 10 15.040 23.172 3.051 1.00 0.00 H new ATOM 0 HG3 ARG A 10 13.313 22.989 2.818 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.313 20.884 4.076 1.00 0.00 H new ATOM 0 HD3 ARG A 10 15.061 20.918 4.204 1.00 0.00 H new ATOM 0 HE ARG A 10 13.151 22.417 5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.449 22.312 4.571 1.00 0.00 H new ATOM 0 HH12 ARG A 10 17.101 23.306 5.878 1.00 0.00 H new ATOM 0 HH21 ARG A 10 13.996 23.693 7.501 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.719 24.085 7.530 1.00 0.00 H new ATOM 114 N PHE A 11 12.798 19.079 2.219 1.00 0.00 N ATOM 115 CA PHE A 11 12.086 18.205 3.144 1.00 0.00 C ATOM 116 C PHE A 11 12.411 18.564 4.591 1.00 0.00 C ATOM 117 O PHE A 11 13.550 18.898 4.920 1.00 0.00 O ATOM 118 CB PHE A 11 12.446 16.742 2.876 1.00 0.00 C ATOM 119 CG PHE A 11 11.751 16.164 1.677 1.00 0.00 C ATOM 120 CD1 PHE A 11 12.252 16.374 0.402 1.00 0.00 C ATOM 121 CD2 PHE A 11 10.598 15.410 1.824 1.00 0.00 C ATOM 122 CE1 PHE A 11 11.614 15.844 -0.704 1.00 0.00 C ATOM 123 CE2 PHE A 11 9.956 14.876 0.722 1.00 0.00 C ATOM 124 CZ PHE A 11 10.466 15.093 -0.543 1.00 0.00 C ATOM 0 H PHE A 11 13.619 18.656 1.786 1.00 0.00 H new ATOM 0 HA PHE A 11 11.017 18.344 2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.524 16.661 2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.194 16.147 3.754 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.151 16.958 0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.196 15.237 2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.013 16.017 -1.693 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.058 14.290 0.850 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.968 14.676 -1.406 1.00 0.00 H new ATOM 134 N THR A 12 11.401 18.494 5.453 1.00 0.00 N ATOM 135 CA THR A 12 11.578 18.812 6.864 1.00 0.00 C ATOM 136 C THR A 12 11.380 17.577 7.736 1.00 0.00 C ATOM 137 O THR A 12 11.885 17.510 8.856 1.00 0.00 O ATOM 138 CB THR A 12 10.597 19.909 7.319 1.00 0.00 C ATOM 139 OG1 THR A 12 9.248 19.449 7.181 1.00 0.00 O ATOM 140 CG2 THR A 12 10.790 21.180 6.505 1.00 0.00 C ATOM 0 H THR A 12 10.452 18.220 5.198 1.00 0.00 H new ATOM 0 HA THR A 12 12.599 19.175 6.980 1.00 0.00 H new ATOM 0 HB THR A 12 10.799 20.133 8.367 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.800 19.485 8.052 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.086 21.940 6.845 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.809 21.545 6.636 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.613 20.967 5.451 1.00 0.00 H new ATOM 148 N GLN A 13 10.644 16.602 7.213 1.00 0.00 N ATOM 149 CA GLN A 13 10.381 15.368 7.945 1.00 0.00 C ATOM 150 C GLN A 13 10.575 14.151 7.048 1.00 0.00 C ATOM 151 O GLN A 13 9.769 13.891 6.154 1.00 0.00 O ATOM 152 CB GLN A 13 8.959 15.379 8.510 1.00 0.00 C ATOM 153 CG GLN A 13 8.861 15.987 9.900 1.00 0.00 C ATOM 154 CD GLN A 13 9.817 15.346 10.886 1.00 0.00 C ATOM 155 OE1 GLN A 13 9.604 14.218 11.331 1.00 0.00 O ATOM 156 NE2 GLN A 13 10.879 16.064 11.234 1.00 0.00 N ATOM 0 H GLN A 13 10.220 16.642 6.286 1.00 0.00 H new ATOM 0 HA GLN A 13 11.092 15.305 8.769 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.312 15.936 7.832 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.582 14.357 8.542 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.069 17.055 9.841 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.840 15.881 10.268 1.00 0.00 H new ATOM 0 HE21 GLN A 13 11.016 16.995 10.841 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.557 15.684 11.895 1.00 0.00 H new ATOM 165 N ASP A 14 11.649 13.408 7.291 1.00 0.00 N ATOM 166 CA ASP A 14 11.949 12.217 6.505 1.00 0.00 C ATOM 167 C ASP A 14 10.669 11.479 6.127 1.00 0.00 C ATOM 168 O ASP A 14 9.653 11.584 6.815 1.00 0.00 O ATOM 169 CB ASP A 14 12.878 11.285 7.286 1.00 0.00 C ATOM 170 CG ASP A 14 13.771 10.463 6.377 1.00 0.00 C ATOM 171 OD1 ASP A 14 14.298 11.027 5.395 1.00 0.00 O ATOM 172 OD2 ASP A 14 13.943 9.257 6.648 1.00 0.00 O ATOM 0 H ASP A 14 12.327 13.610 8.026 1.00 0.00 H new ATOM 0 HA ASP A 14 12.449 12.532 5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.497 11.876 7.961 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.280 10.616 7.905 1.00 0.00 H new ATOM 177 N LEU A 15 10.725 10.733 5.029 1.00 0.00 N ATOM 178 CA LEU A 15 9.569 9.978 4.558 1.00 0.00 C ATOM 179 C LEU A 15 9.104 8.980 5.613 1.00 0.00 C ATOM 180 O LEU A 15 9.890 8.526 6.445 1.00 0.00 O ATOM 181 CB LEU A 15 9.910 9.243 3.260 1.00 0.00 C ATOM 182 CG LEU A 15 8.760 9.063 2.269 1.00 0.00 C ATOM 183 CD1 LEU A 15 9.291 8.659 0.902 1.00 0.00 C ATOM 184 CD2 LEU A 15 7.768 8.030 2.784 1.00 0.00 C ATOM 0 H LEU A 15 11.558 10.635 4.449 1.00 0.00 H new ATOM 0 HA LEU A 15 8.759 10.682 4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.713 9.784 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.301 8.258 3.516 1.00 0.00 H new ATOM 0 HG LEU A 15 8.241 10.016 2.168 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.458 8.535 0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.961 9.433 0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.835 7.718 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.956 7.915 2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.274 7.074 2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.362 8.360 3.740 1.00 0.00 H new ATOM 196 N LYS A 16 7.820 8.640 5.573 1.00 0.00 N ATOM 197 CA LYS A 16 7.248 7.693 6.523 1.00 0.00 C ATOM 198 C LYS A 16 6.627 6.503 5.798 1.00 0.00 C ATOM 199 O LYS A 16 6.215 6.612 4.643 1.00 0.00 O ATOM 200 CB LYS A 16 6.193 8.383 7.390 1.00 0.00 C ATOM 201 CG LYS A 16 5.429 7.429 8.293 1.00 0.00 C ATOM 202 CD LYS A 16 4.187 6.887 7.606 1.00 0.00 C ATOM 203 CE LYS A 16 3.834 5.495 8.110 1.00 0.00 C ATOM 204 NZ LYS A 16 3.041 5.546 9.369 1.00 0.00 N ATOM 0 H LYS A 16 7.155 9.007 4.892 1.00 0.00 H new ATOM 0 HA LYS A 16 8.052 7.327 7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.679 9.141 8.004 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.486 8.902 6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.077 6.601 8.581 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.143 7.944 9.210 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.349 7.562 7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.350 6.855 6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.267 4.965 7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.749 4.927 8.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.821 4.578 9.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.592 6.030 10.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.156 6.066 9.201 1.00 0.00 H new ATOM 218 N THR A 17 6.562 5.366 6.485 1.00 0.00 N ATOM 219 CA THR A 17 5.991 4.156 5.907 1.00 0.00 C ATOM 220 C THR A 17 5.785 3.083 6.970 1.00 0.00 C ATOM 221 O THR A 17 6.159 3.263 8.129 1.00 0.00 O ATOM 222 CB THR A 17 6.888 3.590 4.789 1.00 0.00 C ATOM 223 OG1 THR A 17 6.338 2.364 4.293 1.00 0.00 O ATOM 224 CG2 THR A 17 8.300 3.348 5.299 1.00 0.00 C ATOM 0 H THR A 17 6.898 5.258 7.442 1.00 0.00 H new ATOM 0 HA THR A 17 5.026 4.433 5.483 1.00 0.00 H new ATOM 0 HB THR A 17 6.930 4.322 3.982 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.290 2.399 3.315 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.915 2.949 4.492 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.727 4.288 5.649 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.272 2.634 6.122 1.00 0.00 H new ATOM 232 N LYS A 18 5.188 1.966 6.568 1.00 0.00 N ATOM 233 CA LYS A 18 4.933 0.862 7.486 1.00 0.00 C ATOM 234 C LYS A 18 4.973 -0.475 6.752 1.00 0.00 C ATOM 235 O LYS A 18 5.194 -0.523 5.543 1.00 0.00 O ATOM 236 CB LYS A 18 3.576 1.041 8.168 1.00 0.00 C ATOM 237 CG LYS A 18 2.441 0.317 7.466 1.00 0.00 C ATOM 238 CD LYS A 18 2.223 0.851 6.060 1.00 0.00 C ATOM 239 CE LYS A 18 1.244 2.016 6.052 1.00 0.00 C ATOM 240 NZ LYS A 18 1.925 3.314 6.314 1.00 0.00 N ATOM 0 H LYS A 18 4.872 1.801 5.612 1.00 0.00 H new ATOM 0 HA LYS A 18 5.716 0.864 8.244 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.645 0.681 9.195 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.341 2.104 8.218 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.662 -0.750 7.421 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.524 0.429 8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.176 1.172 5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.846 0.053 5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.739 2.059 5.087 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.476 1.850 6.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.652 3.666 7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.956 3.178 6.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.644 4.006 5.590 1.00 0.00 H new ATOM 254 N GLU A 19 4.754 -1.558 7.492 1.00 0.00 N ATOM 255 CA GLU A 19 4.764 -2.895 6.910 1.00 0.00 C ATOM 256 C GLU A 19 3.375 -3.524 6.969 1.00 0.00 C ATOM 257 O GLU A 19 2.882 -3.866 8.043 1.00 0.00 O ATOM 258 CB GLU A 19 5.771 -3.786 7.641 1.00 0.00 C ATOM 259 CG GLU A 19 5.290 -4.256 9.004 1.00 0.00 C ATOM 260 CD GLU A 19 6.430 -4.477 9.980 1.00 0.00 C ATOM 261 OE1 GLU A 19 7.160 -5.477 9.823 1.00 0.00 O ATOM 262 OE2 GLU A 19 6.590 -3.649 10.901 1.00 0.00 O ATOM 0 H GLU A 19 4.568 -1.535 8.495 1.00 0.00 H new ATOM 0 HA GLU A 19 5.060 -2.806 5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.990 -4.656 7.022 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.706 -3.239 7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.601 -3.519 9.416 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.731 -5.184 8.888 1.00 0.00 H new ATOM 269 N ALA A 20 2.750 -3.672 5.805 1.00 0.00 N ATOM 270 CA ALA A 20 1.419 -4.261 5.723 1.00 0.00 C ATOM 271 C ALA A 20 1.470 -5.645 5.086 1.00 0.00 C ATOM 272 O ALA A 20 2.492 -6.046 4.528 1.00 0.00 O ATOM 273 CB ALA A 20 0.487 -3.350 4.938 1.00 0.00 C ATOM 0 H ALA A 20 3.144 -3.392 4.907 1.00 0.00 H new ATOM 0 HA ALA A 20 1.033 -4.371 6.737 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.503 -3.802 4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.418 -2.383 5.437 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.878 -3.211 3.930 1.00 0.00 H new ATOM 279 N SER A 21 0.361 -6.373 5.173 1.00 0.00 N ATOM 280 CA SER A 21 0.281 -7.715 4.609 1.00 0.00 C ATOM 281 C SER A 21 -0.119 -7.663 3.137 1.00 0.00 C ATOM 282 O SER A 21 -0.516 -6.615 2.628 1.00 0.00 O ATOM 283 CB SER A 21 -0.725 -8.562 5.392 1.00 0.00 C ATOM 284 OG SER A 21 -2.026 -8.005 5.320 1.00 0.00 O ATOM 0 H SER A 21 -0.494 -6.056 5.629 1.00 0.00 H new ATOM 0 HA SER A 21 1.267 -8.173 4.684 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.738 -9.577 4.994 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.413 -8.632 6.434 1.00 0.00 H new ATOM 0 HG SER A 21 -2.650 -8.565 5.827 1.00 0.00 H new ATOM 290 N GLU A 22 -0.010 -8.802 2.460 1.00 0.00 N ATOM 291 CA GLU A 22 -0.359 -8.885 1.047 1.00 0.00 C ATOM 292 C GLU A 22 -1.833 -8.554 0.830 1.00 0.00 C ATOM 293 O GLU A 22 -2.712 -9.143 1.458 1.00 0.00 O ATOM 294 CB GLU A 22 -0.055 -10.284 0.505 1.00 0.00 C ATOM 295 CG GLU A 22 1.375 -10.451 0.020 1.00 0.00 C ATOM 296 CD GLU A 22 1.625 -11.809 -0.605 1.00 0.00 C ATOM 297 OE1 GLU A 22 0.791 -12.246 -1.427 1.00 0.00 O ATOM 298 OE2 GLU A 22 2.652 -12.436 -0.273 1.00 0.00 O ATOM 0 H GLU A 22 0.317 -9.678 2.867 1.00 0.00 H new ATOM 0 HA GLU A 22 0.243 -8.154 0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.253 -11.018 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.736 -10.502 -0.317 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.600 -9.673 -0.709 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.058 -10.310 0.858 1.00 0.00 H new ATOM 305 N GLY A 23 -2.095 -7.606 -0.065 1.00 0.00 N ATOM 306 CA GLY A 23 -3.462 -7.211 -0.349 1.00 0.00 C ATOM 307 C GLY A 23 -3.889 -5.989 0.440 1.00 0.00 C ATOM 308 O GLY A 23 -4.856 -5.317 0.083 1.00 0.00 O ATOM 0 H GLY A 23 -1.385 -7.105 -0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.563 -7.005 -1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.131 -8.040 -0.119 1.00 0.00 H new ATOM 312 N ALA A 24 -3.166 -5.700 1.518 1.00 0.00 N ATOM 313 CA ALA A 24 -3.475 -4.551 2.359 1.00 0.00 C ATOM 314 C ALA A 24 -3.192 -3.243 1.628 1.00 0.00 C ATOM 315 O ALA A 24 -2.850 -3.242 0.445 1.00 0.00 O ATOM 316 CB ALA A 24 -2.680 -4.616 3.655 1.00 0.00 C ATOM 0 H ALA A 24 -2.363 -6.246 1.829 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.539 -4.582 2.596 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.921 -3.751 4.273 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.935 -5.529 4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.614 -4.614 3.428 1.00 0.00 H new ATOM 322 N THR A 25 -3.337 -2.129 2.339 1.00 0.00 N ATOM 323 CA THR A 25 -3.098 -0.815 1.757 1.00 0.00 C ATOM 324 C THR A 25 -2.114 -0.010 2.599 1.00 0.00 C ATOM 325 O THR A 25 -2.372 0.274 3.768 1.00 0.00 O ATOM 326 CB THR A 25 -4.408 -0.016 1.616 1.00 0.00 C ATOM 327 OG1 THR A 25 -5.357 -0.764 0.847 1.00 0.00 O ATOM 328 CG2 THR A 25 -4.154 1.328 0.951 1.00 0.00 C ATOM 0 H THR A 25 -3.619 -2.111 3.319 1.00 0.00 H new ATOM 0 HA THR A 25 -2.673 -0.981 0.767 1.00 0.00 H new ATOM 0 HB THR A 25 -4.809 0.162 2.614 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.703 -0.205 0.120 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.094 1.874 0.863 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.454 1.906 1.554 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.732 1.169 -0.041 1.00 0.00 H new ATOM 336 N ALA A 26 -0.987 0.353 1.997 1.00 0.00 N ATOM 337 CA ALA A 26 0.034 1.127 2.692 1.00 0.00 C ATOM 338 C ALA A 26 -0.321 2.610 2.714 1.00 0.00 C ATOM 339 O ALA A 26 -1.391 3.010 2.255 1.00 0.00 O ATOM 340 CB ALA A 26 1.392 0.918 2.037 1.00 0.00 C ATOM 0 H ALA A 26 -0.758 0.124 1.030 1.00 0.00 H new ATOM 0 HA ALA A 26 0.081 0.776 3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.145 1.502 2.566 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.657 -0.138 2.078 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.348 1.241 0.997 1.00 0.00 H new ATOM 346 N THR A 27 0.583 3.423 3.252 1.00 0.00 N ATOM 347 CA THR A 27 0.364 4.861 3.336 1.00 0.00 C ATOM 348 C THR A 27 1.646 5.591 3.720 1.00 0.00 C ATOM 349 O THR A 27 2.069 5.560 4.877 1.00 0.00 O ATOM 350 CB THR A 27 -0.734 5.203 4.361 1.00 0.00 C ATOM 351 OG1 THR A 27 -2.009 4.768 3.876 1.00 0.00 O ATOM 352 CG2 THR A 27 -0.773 6.700 4.633 1.00 0.00 C ATOM 0 H THR A 27 1.474 3.109 3.636 1.00 0.00 H new ATOM 0 HA THR A 27 0.044 5.190 2.347 1.00 0.00 H new ATOM 0 HB THR A 27 -0.504 4.686 5.293 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.885 4.230 3.066 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.556 6.918 5.360 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.190 7.023 5.029 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.981 7.233 3.705 1.00 0.00 H new ATOM 360 N LEU A 28 2.262 6.249 2.743 1.00 0.00 N ATOM 361 CA LEU A 28 3.497 6.988 2.979 1.00 0.00 C ATOM 362 C LEU A 28 3.213 8.475 3.172 1.00 0.00 C ATOM 363 O LEU A 28 2.667 9.131 2.286 1.00 0.00 O ATOM 364 CB LEU A 28 4.464 6.789 1.811 1.00 0.00 C ATOM 365 CG LEU A 28 4.741 5.341 1.408 1.00 0.00 C ATOM 366 CD1 LEU A 28 3.748 4.882 0.351 1.00 0.00 C ATOM 367 CD2 LEU A 28 6.168 5.191 0.902 1.00 0.00 C ATOM 0 H LEU A 28 1.926 6.285 1.781 1.00 0.00 H new ATOM 0 HA LEU A 28 3.954 6.603 3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.068 7.317 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.412 7.262 2.066 1.00 0.00 H new ATOM 0 HG LEU A 28 4.621 4.710 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.961 3.849 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.735 4.951 0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.835 5.517 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.347 4.153 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.316 5.834 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.865 5.478 1.689 1.00 0.00 H new ATOM 379 N GLN A 29 3.589 8.998 4.334 1.00 0.00 N ATOM 380 CA GLN A 29 3.376 10.407 4.642 1.00 0.00 C ATOM 381 C GLN A 29 4.705 11.151 4.734 1.00 0.00 C ATOM 382 O GLN A 29 5.625 10.714 5.426 1.00 0.00 O ATOM 383 CB GLN A 29 2.604 10.554 5.954 1.00 0.00 C ATOM 384 CG GLN A 29 1.099 10.405 5.794 1.00 0.00 C ATOM 385 CD GLN A 29 0.371 10.382 7.123 1.00 0.00 C ATOM 386 OE1 GLN A 29 -0.003 11.427 7.657 1.00 0.00 O ATOM 387 NE2 GLN A 29 0.164 9.187 7.665 1.00 0.00 N ATOM 0 H GLN A 29 4.043 8.467 5.078 1.00 0.00 H new ATOM 0 HA GLN A 29 2.790 10.845 3.834 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.962 9.806 6.662 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.820 11.531 6.386 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.718 11.228 5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 29 0.884 9.485 5.250 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.491 8.347 7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.322 9.109 8.558 1.00 0.00 H new ATOM 396 N CYS A 30 4.798 12.275 4.033 1.00 0.00 N ATOM 397 CA CYS A 30 6.014 13.079 4.035 1.00 0.00 C ATOM 398 C CYS A 30 5.687 14.561 4.193 1.00 0.00 C ATOM 399 O CYS A 30 4.583 14.999 3.872 1.00 0.00 O ATOM 400 CB CYS A 30 6.802 12.854 2.743 1.00 0.00 C ATOM 401 SG CYS A 30 6.069 13.634 1.286 1.00 0.00 S ATOM 0 H CYS A 30 4.045 12.650 3.456 1.00 0.00 H new ATOM 0 HA CYS A 30 6.624 12.767 4.883 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.814 13.236 2.876 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.887 11.782 2.564 1.00 0.00 H new ATOM 0 HG CYS A 30 5.580 12.718 0.504 1.00 0.00 H new ATOM 407 N GLU A 31 6.654 15.325 4.691 1.00 0.00 N ATOM 408 CA GLU A 31 6.466 16.757 4.894 1.00 0.00 C ATOM 409 C GLU A 31 7.458 17.560 4.057 1.00 0.00 C ATOM 410 O GLU A 31 8.474 17.032 3.602 1.00 0.00 O ATOM 411 CB GLU A 31 6.627 17.110 6.374 1.00 0.00 C ATOM 412 CG GLU A 31 5.794 18.305 6.809 1.00 0.00 C ATOM 413 CD GLU A 31 5.778 18.488 8.314 1.00 0.00 C ATOM 414 OE1 GLU A 31 6.775 19.007 8.859 1.00 0.00 O ATOM 415 OE2 GLU A 31 4.770 18.111 8.947 1.00 0.00 O ATOM 0 H GLU A 31 7.574 14.977 4.961 1.00 0.00 H new ATOM 0 HA GLU A 31 5.456 17.014 4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.350 16.246 6.977 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.678 17.317 6.577 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.188 19.207 6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.772 18.180 6.451 1.00 0.00 H new ATOM 422 N LEU A 32 7.157 18.838 3.859 1.00 0.00 N ATOM 423 CA LEU A 32 8.021 19.715 3.076 1.00 0.00 C ATOM 424 C LEU A 32 8.137 21.089 3.729 1.00 0.00 C ATOM 425 O LEU A 32 7.337 21.446 4.594 1.00 0.00 O ATOM 426 CB LEU A 32 7.481 19.859 1.652 1.00 0.00 C ATOM 427 CG LEU A 32 7.514 18.595 0.791 1.00 0.00 C ATOM 428 CD1 LEU A 32 6.509 18.698 -0.345 1.00 0.00 C ATOM 429 CD2 LEU A 32 8.915 18.357 0.247 1.00 0.00 C ATOM 0 H LEU A 32 6.321 19.291 4.230 1.00 0.00 H new ATOM 0 HA LEU A 32 9.013 19.266 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.450 20.209 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.053 20.635 1.144 1.00 0.00 H new ATOM 0 HG LEU A 32 7.240 17.745 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.546 17.790 -0.947 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.507 18.820 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.752 19.558 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.920 17.454 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 32 9.218 19.208 -0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.612 18.238 1.076 1.00 0.00 H new ATOM 441 N SER A 33 9.137 21.856 3.307 1.00 0.00 N ATOM 442 CA SER A 33 9.359 23.191 3.852 1.00 0.00 C ATOM 443 C SER A 33 8.360 24.187 3.273 1.00 0.00 C ATOM 444 O SER A 33 8.048 25.204 3.893 1.00 0.00 O ATOM 445 CB SER A 33 10.787 23.654 3.558 1.00 0.00 C ATOM 446 OG SER A 33 11.027 24.942 4.097 1.00 0.00 O ATOM 0 H SER A 33 9.806 21.576 2.590 1.00 0.00 H new ATOM 0 HA SER A 33 9.215 23.144 4.931 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.497 22.942 3.979 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.953 23.671 2.481 1.00 0.00 H new ATOM 0 HG SER A 33 11.947 25.214 3.897 1.00 0.00 H new ATOM 452 N LYS A 34 7.860 23.888 2.078 1.00 0.00 N ATOM 453 CA LYS A 34 6.895 24.754 1.413 1.00 0.00 C ATOM 454 C LYS A 34 5.923 23.938 0.567 1.00 0.00 C ATOM 455 O LYS A 34 6.001 22.710 0.525 1.00 0.00 O ATOM 456 CB LYS A 34 7.618 25.777 0.534 1.00 0.00 C ATOM 457 CG LYS A 34 8.922 26.278 1.130 1.00 0.00 C ATOM 458 CD LYS A 34 9.445 27.494 0.384 1.00 0.00 C ATOM 459 CE LYS A 34 10.951 27.638 0.540 1.00 0.00 C ATOM 460 NZ LYS A 34 11.321 28.190 1.873 1.00 0.00 N ATOM 0 H LYS A 34 8.108 23.051 1.550 1.00 0.00 H new ATOM 0 HA LYS A 34 6.327 25.280 2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.821 25.329 -0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.957 26.626 0.361 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.770 26.531 2.179 1.00 0.00 H new ATOM 0 HG3 LYS A 34 9.667 25.483 1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.194 27.409 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.952 28.391 0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.425 26.665 0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.336 28.291 -0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.356 28.273 1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.890 29.129 1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.976 27.554 2.620 1.00 0.00 H new ATOM 474 N VAL A 35 5.008 24.628 -0.107 1.00 0.00 N ATOM 475 CA VAL A 35 4.022 23.966 -0.954 1.00 0.00 C ATOM 476 C VAL A 35 4.502 23.891 -2.399 1.00 0.00 C ATOM 477 O VAL A 35 4.376 24.853 -3.156 1.00 0.00 O ATOM 478 CB VAL A 35 2.666 24.696 -0.912 1.00 0.00 C ATOM 479 CG1 VAL A 35 1.601 23.885 -1.633 1.00 0.00 C ATOM 480 CG2 VAL A 35 2.255 24.972 0.527 1.00 0.00 C ATOM 0 H VAL A 35 4.929 25.645 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 35 3.895 22.956 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 35 2.771 25.652 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.650 24.416 -1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.894 23.743 -2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.495 22.914 -1.150 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.295 25.488 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.167 24.029 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.008 25.596 1.007 1.00 0.00 H new ATOM 490 N ALA A 36 5.052 22.741 -2.775 1.00 0.00 N ATOM 491 CA ALA A 36 5.549 22.539 -4.130 1.00 0.00 C ATOM 492 C ALA A 36 5.127 21.177 -4.672 1.00 0.00 C ATOM 493 O ALA A 36 5.005 20.200 -3.934 1.00 0.00 O ATOM 494 CB ALA A 36 7.064 22.677 -4.164 1.00 0.00 C ATOM 0 H ALA A 36 5.165 21.935 -2.160 1.00 0.00 H new ATOM 0 HA ALA A 36 5.112 23.307 -4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.421 22.524 -5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.346 23.675 -3.827 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.512 21.932 -3.507 1.00 0.00 H new ATOM 500 N PRO A 37 4.898 21.110 -5.992 1.00 0.00 N ATOM 501 CA PRO A 37 4.486 19.873 -6.662 1.00 0.00 C ATOM 502 C PRO A 37 5.604 18.836 -6.703 1.00 0.00 C ATOM 503 O PRO A 37 6.629 19.040 -7.355 1.00 0.00 O ATOM 504 CB PRO A 37 4.133 20.336 -8.077 1.00 0.00 C ATOM 505 CG PRO A 37 4.933 21.576 -8.280 1.00 0.00 C ATOM 506 CD PRO A 37 5.024 22.236 -6.932 1.00 0.00 C ATOM 0 HA PRO A 37 3.663 19.383 -6.142 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.386 19.576 -8.817 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.065 20.533 -8.174 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.925 21.342 -8.667 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.455 22.234 -9.005 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.970 22.762 -6.805 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.230 22.969 -6.789 1.00 0.00 H new ATOM 514 N VAL A 38 5.400 17.724 -6.005 1.00 0.00 N ATOM 515 CA VAL A 38 6.391 16.655 -5.964 1.00 0.00 C ATOM 516 C VAL A 38 5.942 15.458 -6.794 1.00 0.00 C ATOM 517 O VAL A 38 4.839 15.447 -7.340 1.00 0.00 O ATOM 518 CB VAL A 38 6.658 16.192 -4.519 1.00 0.00 C ATOM 519 CG1 VAL A 38 6.920 17.387 -3.615 1.00 0.00 C ATOM 520 CG2 VAL A 38 5.490 15.367 -4.000 1.00 0.00 C ATOM 0 H VAL A 38 4.558 17.540 -5.460 1.00 0.00 H new ATOM 0 HA VAL A 38 7.312 17.060 -6.384 1.00 0.00 H new ATOM 0 HB VAL A 38 7.548 15.563 -4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.106 17.040 -2.599 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.791 17.933 -3.977 1.00 0.00 H new ATOM 0 HG13 VAL A 38 6.051 18.045 -3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.695 15.048 -2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.583 15.971 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.354 14.490 -4.633 1.00 0.00 H new ATOM 530 N GLU A 39 6.805 14.451 -6.886 1.00 0.00 N ATOM 531 CA GLU A 39 6.497 13.248 -7.651 1.00 0.00 C ATOM 532 C GLU A 39 7.134 12.018 -7.011 1.00 0.00 C ATOM 533 O GLU A 39 8.316 12.027 -6.667 1.00 0.00 O ATOM 534 CB GLU A 39 6.983 13.396 -9.094 1.00 0.00 C ATOM 535 CG GLU A 39 6.358 12.396 -10.052 1.00 0.00 C ATOM 536 CD GLU A 39 5.062 12.899 -10.657 1.00 0.00 C ATOM 537 OE1 GLU A 39 4.966 14.114 -10.932 1.00 0.00 O ATOM 538 OE2 GLU A 39 4.142 12.078 -10.855 1.00 0.00 O ATOM 0 H GLU A 39 7.723 14.444 -6.441 1.00 0.00 H new ATOM 0 HA GLU A 39 5.415 13.116 -7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.763 14.406 -9.441 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.067 13.280 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.065 12.173 -10.851 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.169 11.461 -9.524 1.00 0.00 H new ATOM 545 N TRP A 40 6.343 10.963 -6.855 1.00 0.00 N ATOM 546 CA TRP A 40 6.829 9.725 -6.257 1.00 0.00 C ATOM 547 C TRP A 40 7.437 8.810 -7.315 1.00 0.00 C ATOM 548 O TRP A 40 6.967 8.763 -8.452 1.00 0.00 O ATOM 549 CB TRP A 40 5.692 9.003 -5.533 1.00 0.00 C ATOM 550 CG TRP A 40 5.050 9.831 -4.461 1.00 0.00 C ATOM 551 CD1 TRP A 40 4.310 10.965 -4.634 1.00 0.00 C ATOM 552 CD2 TRP A 40 5.093 9.589 -3.050 1.00 0.00 C ATOM 553 NE1 TRP A 40 3.891 11.443 -3.416 1.00 0.00 N ATOM 554 CE2 TRP A 40 4.357 10.616 -2.429 1.00 0.00 C ATOM 555 CE3 TRP A 40 5.680 8.603 -2.252 1.00 0.00 C ATOM 556 CZ2 TRP A 40 4.196 10.685 -1.047 1.00 0.00 C ATOM 557 CZ3 TRP A 40 5.519 8.673 -0.881 1.00 0.00 C ATOM 558 CH2 TRP A 40 4.781 9.707 -0.290 1.00 0.00 C ATOM 0 H TRP A 40 5.362 10.940 -7.134 1.00 0.00 H new ATOM 0 HA TRP A 40 7.605 9.980 -5.536 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.934 8.713 -6.261 1.00 0.00 H new ATOM 0 HB3 TRP A 40 6.078 8.085 -5.091 1.00 0.00 H new ATOM 0 HD1 TRP A 40 4.087 11.420 -5.588 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.325 12.279 -3.270 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.249 7.801 -2.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.629 11.482 -0.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.970 7.918 -0.254 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.672 9.732 0.784 1.00 0.00 H new ATOM 569 N LYS A 41 8.483 8.085 -6.934 1.00 0.00 N ATOM 570 CA LYS A 41 9.154 7.170 -7.850 1.00 0.00 C ATOM 571 C LYS A 41 9.404 5.820 -7.184 1.00 0.00 C ATOM 572 O LYS A 41 9.673 5.748 -5.985 1.00 0.00 O ATOM 573 CB LYS A 41 10.479 7.770 -8.323 1.00 0.00 C ATOM 574 CG LYS A 41 10.351 8.609 -9.583 1.00 0.00 C ATOM 575 CD LYS A 41 11.624 8.567 -10.412 1.00 0.00 C ATOM 576 CE LYS A 41 11.476 9.363 -11.700 1.00 0.00 C ATOM 577 NZ LYS A 41 12.797 9.764 -12.259 1.00 0.00 N ATOM 0 H LYS A 41 8.885 8.113 -5.997 1.00 0.00 H new ATOM 0 HA LYS A 41 8.504 7.016 -8.711 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.894 8.387 -7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.189 6.963 -8.504 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.515 8.245 -10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.125 9.641 -9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.453 8.968 -9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.872 7.532 -10.649 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.936 8.767 -12.436 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.877 10.253 -11.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.672 10.106 -13.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.205 10.522 -11.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.437 8.944 -12.259 1.00 0.00 H new ATOM 591 N LYS A 42 9.314 4.753 -7.970 1.00 0.00 N ATOM 592 CA LYS A 42 9.534 3.405 -7.458 1.00 0.00 C ATOM 593 C LYS A 42 10.820 2.811 -8.023 1.00 0.00 C ATOM 594 O LYS A 42 11.002 1.594 -8.031 1.00 0.00 O ATOM 595 CB LYS A 42 8.347 2.505 -7.809 1.00 0.00 C ATOM 596 CG LYS A 42 8.398 1.143 -7.139 1.00 0.00 C ATOM 597 CD LYS A 42 7.045 0.451 -7.178 1.00 0.00 C ATOM 598 CE LYS A 42 7.188 -1.059 -7.057 1.00 0.00 C ATOM 599 NZ LYS A 42 8.052 -1.444 -5.907 1.00 0.00 N ATOM 0 H LYS A 42 9.090 4.795 -8.964 1.00 0.00 H new ATOM 0 HA LYS A 42 9.629 3.466 -6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.423 3.008 -7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.313 2.368 -8.890 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.141 0.520 -7.636 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.719 1.258 -6.104 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.420 0.825 -6.367 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.536 0.696 -8.110 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.202 -1.509 -6.937 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.611 -1.459 -7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 7.990 -2.471 -5.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.038 -1.184 -6.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.733 -0.947 -5.051 1.00 0.00 H new ATOM 613 N GLY A 43 11.711 3.679 -8.493 1.00 0.00 N ATOM 614 CA GLY A 43 12.969 3.221 -9.052 1.00 0.00 C ATOM 615 C GLY A 43 13.410 4.048 -10.244 1.00 0.00 C ATOM 616 O GLY A 43 13.218 5.263 -10.288 1.00 0.00 O ATOM 0 H GLY A 43 11.584 4.691 -8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.740 3.259 -8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.871 2.178 -9.354 1.00 0.00 H new ATOM 620 N PRO A 44 14.017 3.383 -11.238 1.00 0.00 N ATOM 621 CA PRO A 44 14.499 4.045 -12.454 1.00 0.00 C ATOM 622 C PRO A 44 13.358 4.529 -13.342 1.00 0.00 C ATOM 623 O PRO A 44 13.588 5.045 -14.436 1.00 0.00 O ATOM 624 CB PRO A 44 15.299 2.948 -13.161 1.00 0.00 C ATOM 625 CG PRO A 44 14.710 1.672 -12.669 1.00 0.00 C ATOM 626 CD PRO A 44 14.278 1.934 -11.253 1.00 0.00 C ATOM 0 HA PRO A 44 15.081 4.938 -12.228 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.213 3.032 -14.244 1.00 0.00 H new ATOM 0 HB3 PRO A 44 16.360 3.013 -12.919 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.864 1.370 -13.286 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.440 0.864 -12.711 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.387 1.363 -10.993 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.054 1.658 -10.539 1.00 0.00 H new ATOM 634 N GLU A 45 12.129 4.359 -12.865 1.00 0.00 N ATOM 635 CA GLU A 45 10.953 4.779 -13.617 1.00 0.00 C ATOM 636 C GLU A 45 10.162 5.832 -12.847 1.00 0.00 C ATOM 637 O GLU A 45 10.481 6.151 -11.701 1.00 0.00 O ATOM 638 CB GLU A 45 10.059 3.575 -13.922 1.00 0.00 C ATOM 639 CG GLU A 45 10.425 2.856 -15.210 1.00 0.00 C ATOM 640 CD GLU A 45 10.567 3.802 -16.386 1.00 0.00 C ATOM 641 OE1 GLU A 45 9.546 4.082 -17.049 1.00 0.00 O ATOM 642 OE2 GLU A 45 11.699 4.262 -16.645 1.00 0.00 O ATOM 0 H GLU A 45 11.922 3.933 -11.961 1.00 0.00 H new ATOM 0 HA GLU A 45 11.291 5.219 -14.555 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.118 2.870 -13.093 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.023 3.909 -13.984 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.361 2.317 -15.067 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.661 2.113 -15.437 1.00 0.00 H new ATOM 649 N THR A 46 9.127 6.370 -13.485 1.00 0.00 N ATOM 650 CA THR A 46 8.291 7.389 -12.863 1.00 0.00 C ATOM 651 C THR A 46 6.881 6.864 -12.612 1.00 0.00 C ATOM 652 O THR A 46 6.300 6.185 -13.459 1.00 0.00 O ATOM 653 CB THR A 46 8.207 8.656 -13.734 1.00 0.00 C ATOM 654 OG1 THR A 46 9.485 8.937 -14.315 1.00 0.00 O ATOM 655 CG2 THR A 46 7.746 9.849 -12.910 1.00 0.00 C ATOM 0 H THR A 46 8.848 6.117 -14.433 1.00 0.00 H new ATOM 0 HA THR A 46 8.757 7.643 -11.911 1.00 0.00 H new ATOM 0 HB THR A 46 7.480 8.478 -14.526 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.422 9.743 -14.869 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.694 10.732 -13.546 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.760 9.644 -12.493 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.453 10.027 -12.100 1.00 0.00 H new ATOM 663 N LEU A 47 6.336 7.184 -11.443 1.00 0.00 N ATOM 664 CA LEU A 47 4.993 6.745 -11.081 1.00 0.00 C ATOM 665 C LEU A 47 3.976 7.860 -11.308 1.00 0.00 C ATOM 666 O LEU A 47 4.341 8.989 -11.635 1.00 0.00 O ATOM 667 CB LEU A 47 4.958 6.299 -9.618 1.00 0.00 C ATOM 668 CG LEU A 47 5.669 4.983 -9.301 1.00 0.00 C ATOM 669 CD1 LEU A 47 5.637 4.706 -7.806 1.00 0.00 C ATOM 670 CD2 LEU A 47 5.034 3.835 -10.072 1.00 0.00 C ATOM 0 H LEU A 47 6.803 7.745 -10.731 1.00 0.00 H new ATOM 0 HA LEU A 47 4.729 5.901 -11.719 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.403 7.085 -9.008 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.916 6.209 -9.311 1.00 0.00 H new ATOM 0 HG LEU A 47 6.710 5.070 -9.611 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.148 3.765 -7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.138 5.515 -7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.602 4.638 -7.471 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.553 2.906 -9.834 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.984 3.746 -9.793 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.110 4.029 -11.142 1.00 0.00 H new ATOM 682 N ARG A 48 2.700 7.534 -11.132 1.00 0.00 N ATOM 683 CA ARG A 48 1.630 8.508 -11.317 1.00 0.00 C ATOM 684 C ARG A 48 0.439 8.183 -10.421 1.00 0.00 C ATOM 685 O ARG A 48 0.334 7.080 -9.885 1.00 0.00 O ATOM 686 CB ARG A 48 1.188 8.538 -12.781 1.00 0.00 C ATOM 687 CG ARG A 48 1.997 9.494 -13.642 1.00 0.00 C ATOM 688 CD ARG A 48 1.614 10.942 -13.379 1.00 0.00 C ATOM 689 NE ARG A 48 0.440 11.346 -14.149 1.00 0.00 N ATOM 690 CZ ARG A 48 0.435 11.464 -15.472 1.00 0.00 C ATOM 691 NH1 ARG A 48 1.534 11.211 -16.169 1.00 0.00 N ATOM 692 NH2 ARG A 48 -0.673 11.837 -16.102 1.00 0.00 N ATOM 0 H ARG A 48 2.381 6.603 -10.862 1.00 0.00 H new ATOM 0 HA ARG A 48 2.013 9.490 -11.040 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.267 7.533 -13.196 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.136 8.821 -12.829 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.059 9.356 -13.441 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.838 9.260 -14.695 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.414 11.077 -12.316 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.453 11.590 -13.630 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.422 11.548 -13.643 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.387 10.925 -15.689 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.526 11.303 -17.185 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.521 12.033 -15.570 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.676 11.927 -17.118 1.00 0.00 H new ATOM 706 N ASP A 49 -0.457 9.152 -10.263 1.00 0.00 N ATOM 707 CA ASP A 49 -1.641 8.969 -9.433 1.00 0.00 C ATOM 708 C ASP A 49 -2.839 8.549 -10.279 1.00 0.00 C ATOM 709 O ASP A 49 -2.970 8.955 -11.433 1.00 0.00 O ATOM 710 CB ASP A 49 -1.964 10.259 -8.677 1.00 0.00 C ATOM 711 CG ASP A 49 -2.555 11.326 -9.577 1.00 0.00 C ATOM 712 OD1 ASP A 49 -3.736 11.192 -9.960 1.00 0.00 O ATOM 713 OD2 ASP A 49 -1.836 12.295 -9.899 1.00 0.00 O ATOM 0 H ASP A 49 -0.385 10.071 -10.699 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.431 8.177 -8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.664 10.039 -7.871 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.055 10.642 -8.213 1.00 0.00 H new ATOM 718 N GLY A 50 -3.710 7.730 -9.697 1.00 0.00 N ATOM 719 CA GLY A 50 -4.885 7.267 -10.412 1.00 0.00 C ATOM 720 C GLY A 50 -5.071 5.766 -10.311 1.00 0.00 C ATOM 721 O GLY A 50 -6.006 5.291 -9.668 1.00 0.00 O ATOM 0 H GLY A 50 -3.623 7.379 -8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.768 7.767 -10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.803 7.550 -11.461 1.00 0.00 H new ATOM 725 N GLY A 51 -4.178 5.016 -10.949 1.00 0.00 N ATOM 726 CA GLY A 51 -4.267 3.568 -10.917 1.00 0.00 C ATOM 727 C GLY A 51 -4.170 3.012 -9.510 1.00 0.00 C ATOM 728 O GLY A 51 -4.895 3.444 -8.614 1.00 0.00 O ATOM 0 H GLY A 51 -3.394 5.385 -11.488 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.211 3.255 -11.364 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.469 3.144 -11.527 1.00 0.00 H new ATOM 732 N ARG A 52 -3.274 2.050 -9.315 1.00 0.00 N ATOM 733 CA ARG A 52 -3.088 1.433 -8.008 1.00 0.00 C ATOM 734 C ARG A 52 -2.191 2.293 -7.123 1.00 0.00 C ATOM 735 O ARG A 52 -1.293 1.785 -6.451 1.00 0.00 O ATOM 736 CB ARG A 52 -2.482 0.036 -8.161 1.00 0.00 C ATOM 737 CG ARG A 52 -3.419 -0.965 -8.816 1.00 0.00 C ATOM 738 CD ARG A 52 -2.801 -2.354 -8.870 1.00 0.00 C ATOM 739 NE ARG A 52 -1.596 -2.384 -9.694 1.00 0.00 N ATOM 740 CZ ARG A 52 -0.937 -3.499 -9.992 1.00 0.00 C ATOM 741 NH1 ARG A 52 -1.364 -4.668 -9.535 1.00 0.00 N ATOM 742 NH2 ARG A 52 0.152 -3.445 -10.748 1.00 0.00 N ATOM 0 H ARG A 52 -2.666 1.681 -10.046 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.065 1.348 -7.532 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.569 0.108 -8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.196 -0.337 -7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.357 -1.004 -8.262 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.659 -0.633 -9.826 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.558 -2.682 -7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.530 -3.060 -9.268 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.241 -1.501 -10.061 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.200 -4.713 -8.953 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.856 -5.522 -9.765 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.484 -2.547 -11.101 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.657 -4.301 -10.976 1.00 0.00 H new ATOM 756 N TYR A 53 -2.440 3.598 -7.129 1.00 0.00 N ATOM 757 CA TYR A 53 -1.653 4.530 -6.329 1.00 0.00 C ATOM 758 C TYR A 53 -2.424 5.824 -6.085 1.00 0.00 C ATOM 759 O TYR A 53 -2.616 6.627 -6.998 1.00 0.00 O ATOM 760 CB TYR A 53 -0.326 4.837 -7.025 1.00 0.00 C ATOM 761 CG TYR A 53 0.547 3.620 -7.230 1.00 0.00 C ATOM 762 CD1 TYR A 53 1.227 3.042 -6.165 1.00 0.00 C ATOM 763 CD2 TYR A 53 0.692 3.048 -8.488 1.00 0.00 C ATOM 764 CE1 TYR A 53 2.026 1.930 -6.347 1.00 0.00 C ATOM 765 CE2 TYR A 53 1.488 1.935 -8.679 1.00 0.00 C ATOM 766 CZ TYR A 53 2.153 1.380 -7.606 1.00 0.00 C ATOM 767 OH TYR A 53 2.948 0.272 -7.792 1.00 0.00 O ATOM 0 H TYR A 53 -3.180 4.034 -7.679 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.451 4.062 -5.366 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.531 5.294 -7.993 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.222 5.572 -6.435 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.129 3.469 -5.178 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.174 3.481 -9.331 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.548 1.494 -5.509 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.589 1.502 -9.663 1.00 0.00 H new ATOM 0 HH TYR A 53 2.928 0.010 -8.736 1.00 0.00 H new ATOM 777 N SER A 54 -2.864 6.018 -4.846 1.00 0.00 N ATOM 778 CA SER A 54 -3.617 7.212 -4.480 1.00 0.00 C ATOM 779 C SER A 54 -2.724 8.217 -3.759 1.00 0.00 C ATOM 780 O SER A 54 -2.336 8.007 -2.609 1.00 0.00 O ATOM 781 CB SER A 54 -4.806 6.839 -3.593 1.00 0.00 C ATOM 782 OG SER A 54 -5.943 6.516 -4.374 1.00 0.00 O ATOM 0 H SER A 54 -2.712 5.364 -4.078 1.00 0.00 H new ATOM 0 HA SER A 54 -3.987 7.673 -5.395 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.541 5.990 -2.962 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.042 7.669 -2.928 1.00 0.00 H new ATOM 0 HG SER A 54 -6.689 6.280 -3.784 1.00 0.00 H new ATOM 788 N LEU A 55 -2.402 9.310 -4.441 1.00 0.00 N ATOM 789 CA LEU A 55 -1.555 10.350 -3.867 1.00 0.00 C ATOM 790 C LEU A 55 -2.357 11.619 -3.599 1.00 0.00 C ATOM 791 O LEU A 55 -3.117 12.078 -4.452 1.00 0.00 O ATOM 792 CB LEU A 55 -0.387 10.659 -4.804 1.00 0.00 C ATOM 793 CG LEU A 55 0.400 9.452 -5.316 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.330 8.791 -6.474 1.00 0.00 C ATOM 795 CD2 LEU A 55 1.802 9.869 -5.736 1.00 0.00 C ATOM 0 H LEU A 55 -2.715 9.500 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.164 9.983 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.772 11.208 -5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.303 11.324 -4.285 1.00 0.00 H new ATOM 0 HG LEU A 55 0.485 8.728 -4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.245 7.934 -6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.313 8.457 -6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.447 9.507 -7.287 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.348 8.998 -6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.738 10.612 -6.531 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.326 10.296 -4.881 1.00 0.00 H new ATOM 807 N LYS A 56 -2.181 12.185 -2.410 1.00 0.00 N ATOM 808 CA LYS A 56 -2.885 13.404 -2.030 1.00 0.00 C ATOM 809 C LYS A 56 -1.926 14.414 -1.409 1.00 0.00 C ATOM 810 O LYS A 56 -1.149 14.078 -0.516 1.00 0.00 O ATOM 811 CB LYS A 56 -4.011 13.081 -1.045 1.00 0.00 C ATOM 812 CG LYS A 56 -4.863 14.285 -0.680 1.00 0.00 C ATOM 813 CD LYS A 56 -5.777 14.688 -1.825 1.00 0.00 C ATOM 814 CE LYS A 56 -6.282 16.113 -1.659 1.00 0.00 C ATOM 815 NZ LYS A 56 -7.386 16.199 -0.664 1.00 0.00 N ATOM 0 H LYS A 56 -1.556 11.818 -1.692 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.314 13.843 -2.931 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.651 12.311 -1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.579 12.663 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.462 14.055 0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.217 15.123 -0.416 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.240 14.599 -2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.624 14.004 -1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.459 16.755 -1.345 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.630 16.489 -2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.702 17.186 -0.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.182 15.606 -0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.047 15.864 0.261 1.00 0.00 H new ATOM 829 N GLN A 57 -1.988 15.653 -1.886 1.00 0.00 N ATOM 830 CA GLN A 57 -1.125 16.712 -1.376 1.00 0.00 C ATOM 831 C GLN A 57 -1.890 17.627 -0.426 1.00 0.00 C ATOM 832 O GLN A 57 -2.744 18.405 -0.851 1.00 0.00 O ATOM 833 CB GLN A 57 -0.545 17.528 -2.533 1.00 0.00 C ATOM 834 CG GLN A 57 0.086 18.840 -2.095 1.00 0.00 C ATOM 835 CD GLN A 57 1.199 19.289 -3.021 1.00 0.00 C ATOM 836 OE1 GLN A 57 1.032 19.326 -4.240 1.00 0.00 O ATOM 837 NE2 GLN A 57 2.345 19.635 -2.445 1.00 0.00 N ATOM 0 H GLN A 57 -2.627 15.948 -2.625 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.308 16.247 -0.824 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.204 16.929 -3.050 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.337 17.737 -3.252 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.682 19.613 -2.055 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.481 18.730 -1.085 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.440 19.589 -1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.130 19.946 -3.017 1.00 0.00 H new ATOM 846 N ASP A 58 -1.578 17.529 0.862 1.00 0.00 N ATOM 847 CA ASP A 58 -2.236 18.348 1.873 1.00 0.00 C ATOM 848 C ASP A 58 -1.386 19.566 2.222 1.00 0.00 C ATOM 849 O ASP A 58 -0.796 19.635 3.300 1.00 0.00 O ATOM 850 CB ASP A 58 -2.509 17.523 3.131 1.00 0.00 C ATOM 851 CG ASP A 58 -3.738 17.999 3.880 1.00 0.00 C ATOM 852 OD1 ASP A 58 -4.760 18.287 3.223 1.00 0.00 O ATOM 853 OD2 ASP A 58 -3.678 18.082 5.125 1.00 0.00 O ATOM 0 H ASP A 58 -0.873 16.890 1.230 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.185 18.694 1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.638 16.477 2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.643 17.574 3.791 1.00 0.00 H new ATOM 858 N GLY A 59 -1.327 20.525 1.303 1.00 0.00 N ATOM 859 CA GLY A 59 -0.546 21.726 1.533 1.00 0.00 C ATOM 860 C GLY A 59 0.946 21.465 1.485 1.00 0.00 C ATOM 861 O GLY A 59 1.561 21.522 0.419 1.00 0.00 O ATOM 0 H GLY A 59 -1.806 20.491 0.403 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.805 22.473 0.783 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.807 22.145 2.505 1.00 0.00 H new ATOM 865 N THR A 60 1.533 21.178 2.643 1.00 0.00 N ATOM 866 CA THR A 60 2.963 20.910 2.729 1.00 0.00 C ATOM 867 C THR A 60 3.229 19.459 3.113 1.00 0.00 C ATOM 868 O THR A 60 4.218 19.154 3.779 1.00 0.00 O ATOM 869 CB THR A 60 3.647 21.834 3.755 1.00 0.00 C ATOM 870 OG1 THR A 60 3.062 21.648 5.048 1.00 0.00 O ATOM 871 CG2 THR A 60 3.519 23.292 3.339 1.00 0.00 C ATOM 0 H THR A 60 1.040 21.125 3.534 1.00 0.00 H new ATOM 0 HA THR A 60 3.380 21.104 1.741 1.00 0.00 H new ATOM 0 HB THR A 60 4.705 21.576 3.796 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.503 22.237 5.695 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.009 23.926 4.078 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.991 23.436 2.367 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.465 23.560 3.273 1.00 0.00 H new ATOM 879 N ARG A 61 2.339 18.568 2.689 1.00 0.00 N ATOM 880 CA ARG A 61 2.478 17.148 2.990 1.00 0.00 C ATOM 881 C ARG A 61 1.840 16.296 1.896 1.00 0.00 C ATOM 882 O ARG A 61 0.922 16.740 1.205 1.00 0.00 O ATOM 883 CB ARG A 61 1.836 16.826 4.341 1.00 0.00 C ATOM 884 CG ARG A 61 2.660 17.289 5.532 1.00 0.00 C ATOM 885 CD ARG A 61 1.957 16.986 6.846 1.00 0.00 C ATOM 886 NE ARG A 61 2.124 15.592 7.247 1.00 0.00 N ATOM 887 CZ ARG A 61 1.575 15.070 8.339 1.00 0.00 C ATOM 888 NH1 ARG A 61 0.828 15.824 9.134 1.00 0.00 N ATOM 889 NH2 ARG A 61 1.772 13.793 8.637 1.00 0.00 N ATOM 0 H ARG A 61 1.515 18.804 2.137 1.00 0.00 H new ATOM 0 HA ARG A 61 3.542 16.914 3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.852 17.293 4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.682 15.749 4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.633 16.797 5.516 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.843 18.361 5.455 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.351 17.637 7.626 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.895 17.211 6.749 1.00 0.00 H new ATOM 0 HE ARG A 61 2.693 14.986 6.657 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.674 16.807 8.908 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.408 15.421 9.972 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.346 13.210 8.028 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.350 13.394 9.475 1.00 0.00 H new ATOM 903 N CYS A 62 2.332 15.071 1.745 1.00 0.00 N ATOM 904 CA CYS A 62 1.812 14.157 0.734 1.00 0.00 C ATOM 905 C CYS A 62 1.523 12.787 1.338 1.00 0.00 C ATOM 906 O CYS A 62 2.236 12.329 2.231 1.00 0.00 O ATOM 907 CB CYS A 62 2.805 14.021 -0.420 1.00 0.00 C ATOM 908 SG CYS A 62 3.162 15.574 -1.274 1.00 0.00 S ATOM 0 H CYS A 62 3.090 14.688 2.310 1.00 0.00 H new ATOM 0 HA CYS A 62 0.878 14.570 0.352 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.737 13.607 -0.036 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.412 13.304 -1.141 1.00 0.00 H new ATOM 0 HG CYS A 62 2.501 16.541 -0.710 1.00 0.00 H new ATOM 914 N GLU A 63 0.473 12.138 0.845 1.00 0.00 N ATOM 915 CA GLU A 63 0.090 10.820 1.338 1.00 0.00 C ATOM 916 C GLU A 63 -0.102 9.841 0.183 1.00 0.00 C ATOM 917 O GLU A 63 -1.067 9.941 -0.576 1.00 0.00 O ATOM 918 CB GLU A 63 -1.197 10.914 2.161 1.00 0.00 C ATOM 919 CG GLU A 63 -1.612 9.596 2.793 1.00 0.00 C ATOM 920 CD GLU A 63 -2.803 9.743 3.720 1.00 0.00 C ATOM 921 OE1 GLU A 63 -3.913 10.022 3.222 1.00 0.00 O ATOM 922 OE2 GLU A 63 -2.623 9.579 4.945 1.00 0.00 O ATOM 0 H GLU A 63 -0.127 12.503 0.105 1.00 0.00 H new ATOM 0 HA GLU A 63 0.894 10.450 1.974 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.063 11.658 2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.003 11.270 1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.854 8.881 2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.771 9.184 3.351 1.00 0.00 H new ATOM 929 N LEU A 64 0.822 8.896 0.056 1.00 0.00 N ATOM 930 CA LEU A 64 0.757 7.899 -1.006 1.00 0.00 C ATOM 931 C LEU A 64 0.210 6.576 -0.478 1.00 0.00 C ATOM 932 O LEU A 64 0.774 5.985 0.442 1.00 0.00 O ATOM 933 CB LEU A 64 2.142 7.683 -1.617 1.00 0.00 C ATOM 934 CG LEU A 64 2.293 6.463 -2.526 1.00 0.00 C ATOM 935 CD1 LEU A 64 1.449 6.624 -3.781 1.00 0.00 C ATOM 936 CD2 LEU A 64 3.755 6.245 -2.888 1.00 0.00 C ATOM 0 H LEU A 64 1.626 8.799 0.676 1.00 0.00 H new ATOM 0 HA LEU A 64 0.081 8.270 -1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.407 8.572 -2.189 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.865 7.598 -0.806 1.00 0.00 H new ATOM 0 HG LEU A 64 1.939 5.585 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.569 5.746 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.400 6.730 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.772 7.512 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.843 5.372 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.136 7.123 -3.409 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.335 6.083 -1.979 1.00 0.00 H new ATOM 948 N GLN A 65 -0.889 6.118 -1.069 1.00 0.00 N ATOM 949 CA GLN A 65 -1.510 4.864 -0.658 1.00 0.00 C ATOM 950 C GLN A 65 -1.332 3.793 -1.729 1.00 0.00 C ATOM 951 O GLN A 65 -1.607 4.026 -2.906 1.00 0.00 O ATOM 952 CB GLN A 65 -2.998 5.077 -0.375 1.00 0.00 C ATOM 953 CG GLN A 65 -3.291 5.498 1.056 1.00 0.00 C ATOM 954 CD GLN A 65 -4.744 5.876 1.268 1.00 0.00 C ATOM 955 OE1 GLN A 65 -5.616 5.501 0.484 1.00 0.00 O ATOM 956 NE2 GLN A 65 -5.012 6.624 2.331 1.00 0.00 N ATOM 0 H GLN A 65 -1.367 6.596 -1.833 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.019 4.525 0.254 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.383 5.837 -1.055 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.536 4.154 -0.591 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.029 4.683 1.731 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.657 6.345 1.318 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.258 6.912 2.955 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.972 6.910 2.524 1.00 0.00 H new ATOM 965 N ILE A 66 -0.872 2.618 -1.312 1.00 0.00 N ATOM 966 CA ILE A 66 -0.658 1.511 -2.235 1.00 0.00 C ATOM 967 C ILE A 66 -1.678 0.400 -2.007 1.00 0.00 C ATOM 968 O ILE A 66 -1.455 -0.507 -1.204 1.00 0.00 O ATOM 969 CB ILE A 66 0.760 0.927 -2.096 1.00 0.00 C ATOM 970 CG1 ILE A 66 1.798 2.051 -2.073 1.00 0.00 C ATOM 971 CG2 ILE A 66 1.048 -0.044 -3.232 1.00 0.00 C ATOM 972 CD1 ILE A 66 3.032 1.718 -1.263 1.00 0.00 C ATOM 0 H ILE A 66 -0.640 2.409 -0.341 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.779 1.912 -3.241 1.00 0.00 H new ATOM 0 HB ILE A 66 0.821 0.382 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.096 2.280 -3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.338 2.951 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.054 -0.448 -3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.325 -0.859 -3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.972 0.479 -4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.724 2.560 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.746 1.518 -0.230 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.516 0.836 -1.683 1.00 0.00 H new ATOM 984 N HIS A 67 -2.797 0.476 -2.720 1.00 0.00 N ATOM 985 CA HIS A 67 -3.851 -0.524 -2.597 1.00 0.00 C ATOM 986 C HIS A 67 -3.402 -1.861 -3.179 1.00 0.00 C ATOM 987 O HIS A 67 -2.648 -1.904 -4.151 1.00 0.00 O ATOM 988 CB HIS A 67 -5.121 -0.048 -3.303 1.00 0.00 C ATOM 989 CG HIS A 67 -5.696 1.207 -2.722 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.432 1.227 -1.556 1.00 0.00 N ATOM 991 CD2 HIS A 67 -5.637 2.489 -3.151 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.803 2.468 -1.294 1.00 0.00 C ATOM 993 NE2 HIS A 67 -6.333 3.253 -2.246 1.00 0.00 N ATOM 0 H HIS A 67 -2.997 1.220 -3.389 1.00 0.00 H new ATOM 0 HA HIS A 67 -4.064 -0.662 -1.537 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.900 0.118 -4.357 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.871 -0.837 -3.255 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -5.136 2.845 -4.039 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.391 2.786 -0.446 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.465 4.263 -2.301 1.00 0.00 H new ATOM 1002 N ASP A 68 -3.869 -2.949 -2.577 1.00 0.00 N ATOM 1003 CA ASP A 68 -3.516 -4.288 -3.036 1.00 0.00 C ATOM 1004 C ASP A 68 -2.014 -4.526 -2.910 1.00 0.00 C ATOM 1005 O ASP A 68 -1.353 -4.909 -3.876 1.00 0.00 O ATOM 1006 CB ASP A 68 -3.957 -4.486 -4.487 1.00 0.00 C ATOM 1007 CG ASP A 68 -5.429 -4.826 -4.603 1.00 0.00 C ATOM 1008 OD1 ASP A 68 -5.941 -5.558 -3.729 1.00 0.00 O ATOM 1009 OD2 ASP A 68 -6.071 -4.360 -5.568 1.00 0.00 O ATOM 0 H ASP A 68 -4.493 -2.931 -1.770 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.035 -5.011 -2.406 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.751 -3.578 -5.053 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.366 -5.284 -4.938 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.482 -4.297 -1.715 1.00 0.00 N ATOM 1015 CA LEU A 69 -0.058 -4.486 -1.462 1.00 0.00 C ATOM 1016 C LEU A 69 0.394 -5.874 -1.906 1.00 0.00 C ATOM 1017 O LEU A 69 -0.417 -6.791 -2.033 1.00 0.00 O ATOM 1018 CB LEU A 69 0.248 -4.288 0.023 1.00 0.00 C ATOM 1019 CG LEU A 69 0.547 -2.854 0.462 1.00 0.00 C ATOM 1020 CD1 LEU A 69 0.833 -2.801 1.954 1.00 0.00 C ATOM 1021 CD2 LEU A 69 1.719 -2.289 -0.328 1.00 0.00 C ATOM 0 H LEU A 69 -2.015 -3.980 -0.905 1.00 0.00 H new ATOM 0 HA LEU A 69 0.490 -3.743 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.601 -4.654 0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.103 -4.912 0.284 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.332 -2.241 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.044 -1.773 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.035 -3.165 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.696 -3.427 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.918 -1.268 -0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.603 -2.903 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.476 -2.291 -1.391 1.00 0.00 H new ATOM 1033 N SER A 70 1.695 -6.021 -2.137 1.00 0.00 N ATOM 1034 CA SER A 70 2.255 -7.297 -2.568 1.00 0.00 C ATOM 1035 C SER A 70 3.751 -7.360 -2.274 1.00 0.00 C ATOM 1036 O SER A 70 4.401 -6.332 -2.080 1.00 0.00 O ATOM 1037 CB SER A 70 2.008 -7.508 -4.062 1.00 0.00 C ATOM 1038 OG SER A 70 2.319 -6.339 -4.801 1.00 0.00 O ATOM 0 H SER A 70 2.381 -5.273 -2.033 1.00 0.00 H new ATOM 0 HA SER A 70 1.759 -8.091 -2.010 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.614 -8.340 -4.420 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.965 -7.779 -4.227 1.00 0.00 H new ATOM 0 HG SER A 70 2.154 -6.501 -5.753 1.00 0.00 H new ATOM 1044 N VAL A 71 4.291 -8.574 -2.244 1.00 0.00 N ATOM 1045 CA VAL A 71 5.710 -8.773 -1.975 1.00 0.00 C ATOM 1046 C VAL A 71 6.570 -8.129 -3.058 1.00 0.00 C ATOM 1047 O VAL A 71 7.714 -7.749 -2.812 1.00 0.00 O ATOM 1048 CB VAL A 71 6.059 -10.270 -1.880 1.00 0.00 C ATOM 1049 CG1 VAL A 71 5.906 -10.764 -0.450 1.00 0.00 C ATOM 1050 CG2 VAL A 71 5.190 -11.080 -2.830 1.00 0.00 C ATOM 0 H VAL A 71 3.767 -9.435 -2.403 1.00 0.00 H new ATOM 0 HA VAL A 71 5.920 -8.297 -1.017 1.00 0.00 H new ATOM 0 HB VAL A 71 7.100 -10.403 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.157 -11.824 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.575 -10.203 0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.876 -10.620 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.450 -12.136 -2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.141 -10.944 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.356 -10.742 -3.853 1.00 0.00 H new ATOM 1060 N ALA A 72 6.010 -8.011 -4.257 1.00 0.00 N ATOM 1061 CA ALA A 72 6.724 -7.411 -5.377 1.00 0.00 C ATOM 1062 C ALA A 72 6.781 -5.893 -5.243 1.00 0.00 C ATOM 1063 O ALA A 72 7.656 -5.242 -5.815 1.00 0.00 O ATOM 1064 CB ALA A 72 6.067 -7.802 -6.693 1.00 0.00 C ATOM 0 H ALA A 72 5.064 -8.323 -4.478 1.00 0.00 H new ATOM 0 HA ALA A 72 7.746 -7.789 -5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.611 -7.347 -7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.084 -8.887 -6.800 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.034 -7.453 -6.702 1.00 0.00 H new ATOM 1070 N ASP A 73 5.844 -5.336 -4.485 1.00 0.00 N ATOM 1071 CA ASP A 73 5.788 -3.893 -4.275 1.00 0.00 C ATOM 1072 C ASP A 73 6.769 -3.464 -3.188 1.00 0.00 C ATOM 1073 O ASP A 73 7.276 -2.343 -3.204 1.00 0.00 O ATOM 1074 CB ASP A 73 4.369 -3.467 -3.896 1.00 0.00 C ATOM 1075 CG ASP A 73 3.463 -3.333 -5.104 1.00 0.00 C ATOM 1076 OD1 ASP A 73 3.599 -4.147 -6.041 1.00 0.00 O ATOM 1077 OD2 ASP A 73 2.618 -2.413 -5.114 1.00 0.00 O ATOM 0 H ASP A 73 5.113 -5.861 -4.005 1.00 0.00 H new ATOM 0 HA ASP A 73 6.070 -3.403 -5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 73 3.945 -4.198 -3.207 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.408 -2.515 -3.367 1.00 0.00 H new ATOM 1082 N ALA A 74 7.030 -4.363 -2.245 1.00 0.00 N ATOM 1083 CA ALA A 74 7.950 -4.077 -1.151 1.00 0.00 C ATOM 1084 C ALA A 74 9.345 -3.755 -1.677 1.00 0.00 C ATOM 1085 O ALA A 74 10.103 -4.651 -2.045 1.00 0.00 O ATOM 1086 CB ALA A 74 8.006 -5.254 -0.188 1.00 0.00 C ATOM 0 H ALA A 74 6.617 -5.295 -2.217 1.00 0.00 H new ATOM 0 HA ALA A 74 7.580 -3.202 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.697 -5.027 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.012 -5.437 0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.349 -6.142 -0.719 1.00 0.00 H new ATOM 1092 N GLY A 75 9.676 -2.468 -1.711 1.00 0.00 N ATOM 1093 CA GLY A 75 10.979 -2.050 -2.195 1.00 0.00 C ATOM 1094 C GLY A 75 11.445 -0.754 -1.561 1.00 0.00 C ATOM 1095 O GLY A 75 11.554 -0.659 -0.339 1.00 0.00 O ATOM 0 H GLY A 75 9.065 -1.707 -1.412 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.708 -2.834 -1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.939 -1.928 -3.277 1.00 0.00 H new ATOM 1099 N GLU A 76 11.723 0.244 -2.393 1.00 0.00 N ATOM 1100 CA GLU A 76 12.182 1.539 -1.905 1.00 0.00 C ATOM 1101 C GLU A 76 11.537 2.677 -2.691 1.00 0.00 C ATOM 1102 O GLU A 76 11.802 2.853 -3.881 1.00 0.00 O ATOM 1103 CB GLU A 76 13.706 1.636 -2.006 1.00 0.00 C ATOM 1104 CG GLU A 76 14.263 2.973 -1.548 1.00 0.00 C ATOM 1105 CD GLU A 76 15.754 2.923 -1.279 1.00 0.00 C ATOM 1106 OE1 GLU A 76 16.170 2.150 -0.390 1.00 0.00 O ATOM 1107 OE2 GLU A 76 16.505 3.656 -1.955 1.00 0.00 O ATOM 0 H GLU A 76 11.639 0.181 -3.408 1.00 0.00 H new ATOM 0 HA GLU A 76 11.887 1.629 -0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.152 0.842 -1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.005 1.462 -3.040 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.060 3.727 -2.309 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.745 3.287 -0.642 1.00 0.00 H new ATOM 1114 N TYR A 77 10.687 3.445 -2.018 1.00 0.00 N ATOM 1115 CA TYR A 77 10.001 4.564 -2.653 1.00 0.00 C ATOM 1116 C TYR A 77 10.685 5.885 -2.316 1.00 0.00 C ATOM 1117 O TYR A 77 10.922 6.194 -1.148 1.00 0.00 O ATOM 1118 CB TYR A 77 8.537 4.608 -2.213 1.00 0.00 C ATOM 1119 CG TYR A 77 7.732 3.411 -2.665 1.00 0.00 C ATOM 1120 CD1 TYR A 77 7.705 2.243 -1.913 1.00 0.00 C ATOM 1121 CD2 TYR A 77 7.000 3.447 -3.845 1.00 0.00 C ATOM 1122 CE1 TYR A 77 6.971 1.146 -2.323 1.00 0.00 C ATOM 1123 CE2 TYR A 77 6.262 2.356 -4.262 1.00 0.00 C ATOM 1124 CZ TYR A 77 6.252 1.208 -3.498 1.00 0.00 C ATOM 1125 OH TYR A 77 5.519 0.118 -3.910 1.00 0.00 O ATOM 0 H TYR A 77 10.457 3.313 -1.033 1.00 0.00 H new ATOM 0 HA TYR A 77 10.045 4.418 -3.732 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.495 4.674 -1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.076 5.514 -2.605 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.267 2.191 -0.992 1.00 0.00 H new ATOM 0 HD2 TYR A 77 7.008 4.344 -4.447 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.961 0.246 -1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.696 2.402 -5.181 1.00 0.00 H new ATOM 0 HH TYR A 77 6.011 -0.704 -3.703 1.00 0.00 H new ATOM 1135 N SER A 78 10.999 6.662 -3.348 1.00 0.00 N ATOM 1136 CA SER A 78 11.659 7.949 -3.163 1.00 0.00 C ATOM 1137 C SER A 78 10.777 9.089 -3.664 1.00 0.00 C ATOM 1138 O SER A 78 10.010 8.924 -4.613 1.00 0.00 O ATOM 1139 CB SER A 78 13.002 7.968 -3.897 1.00 0.00 C ATOM 1140 OG SER A 78 13.589 6.679 -3.918 1.00 0.00 O ATOM 0 H SER A 78 10.807 6.423 -4.321 1.00 0.00 H new ATOM 0 HA SER A 78 11.834 8.090 -2.096 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.857 8.322 -4.918 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.677 8.671 -3.409 1.00 0.00 H new ATOM 0 HG SER A 78 14.445 6.717 -4.394 1.00 0.00 H new ATOM 1146 N CYS A 79 10.892 10.244 -3.019 1.00 0.00 N ATOM 1147 CA CYS A 79 10.105 11.412 -3.397 1.00 0.00 C ATOM 1148 C CYS A 79 11.006 12.616 -3.654 1.00 0.00 C ATOM 1149 O CYS A 79 11.651 13.127 -2.739 1.00 0.00 O ATOM 1150 CB CYS A 79 9.089 11.745 -2.302 1.00 0.00 C ATOM 1151 SG CYS A 79 7.644 12.659 -2.889 1.00 0.00 S ATOM 0 H CYS A 79 11.522 10.397 -2.232 1.00 0.00 H new ATOM 0 HA CYS A 79 9.572 11.177 -4.318 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.755 10.817 -1.837 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.585 12.329 -1.527 1.00 0.00 H new ATOM 0 HG CYS A 79 6.576 11.938 -2.717 1.00 0.00 H new ATOM 1157 N MET A 80 11.047 13.062 -4.905 1.00 0.00 N ATOM 1158 CA MET A 80 11.870 14.205 -5.282 1.00 0.00 C ATOM 1159 C MET A 80 11.048 15.490 -5.281 1.00 0.00 C ATOM 1160 O MET A 80 10.016 15.579 -5.947 1.00 0.00 O ATOM 1161 CB MET A 80 12.488 13.981 -6.664 1.00 0.00 C ATOM 1162 CG MET A 80 13.131 12.614 -6.828 1.00 0.00 C ATOM 1163 SD MET A 80 14.347 12.574 -8.158 1.00 0.00 S ATOM 1164 CE MET A 80 14.285 10.845 -8.622 1.00 0.00 C ATOM 0 H MET A 80 10.520 12.649 -5.675 1.00 0.00 H new ATOM 0 HA MET A 80 12.669 14.305 -4.547 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.715 14.103 -7.423 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.238 14.750 -6.847 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.612 12.328 -5.892 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.356 11.874 -7.027 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.281 10.409 -8.537 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.599 10.315 -7.961 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.937 10.757 -9.651 1.00 0.00 H new ATOM 1174 N CYS A 81 11.512 16.483 -4.530 1.00 0.00 N ATOM 1175 CA CYS A 81 10.820 17.763 -4.442 1.00 0.00 C ATOM 1176 C CYS A 81 11.787 18.921 -4.666 1.00 0.00 C ATOM 1177 O CYS A 81 12.477 19.353 -3.744 1.00 0.00 O ATOM 1178 CB CYS A 81 10.139 17.906 -3.080 1.00 0.00 C ATOM 1179 SG CYS A 81 9.493 19.562 -2.748 1.00 0.00 S ATOM 0 H CYS A 81 12.365 16.426 -3.973 1.00 0.00 H new ATOM 0 HA CYS A 81 10.061 17.792 -5.224 1.00 0.00 H new ATOM 0 HB2 CYS A 81 9.320 17.189 -3.018 1.00 0.00 H new ATOM 0 HB3 CYS A 81 10.853 17.643 -2.299 1.00 0.00 H new ATOM 0 HG CYS A 81 10.448 20.317 -2.293 1.00 0.00 H new ATOM 1185 N GLY A 82 11.832 19.419 -5.898 1.00 0.00 N ATOM 1186 CA GLY A 82 12.719 20.521 -6.221 1.00 0.00 C ATOM 1187 C GLY A 82 14.163 20.081 -6.361 1.00 0.00 C ATOM 1188 O GLY A 82 14.617 19.763 -7.459 1.00 0.00 O ATOM 0 H GLY A 82 11.270 19.079 -6.678 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.392 20.986 -7.151 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.648 21.281 -5.443 1.00 0.00 H new ATOM 1192 N GLN A 83 14.886 20.065 -5.245 1.00 0.00 N ATOM 1193 CA GLN A 83 16.287 19.663 -5.250 1.00 0.00 C ATOM 1194 C GLN A 83 16.536 18.543 -4.245 1.00 0.00 C ATOM 1195 O GLN A 83 17.429 17.717 -4.431 1.00 0.00 O ATOM 1196 CB GLN A 83 17.184 20.860 -4.929 1.00 0.00 C ATOM 1197 CG GLN A 83 17.320 21.843 -6.081 1.00 0.00 C ATOM 1198 CD GLN A 83 18.322 21.387 -7.123 1.00 0.00 C ATOM 1199 OE1 GLN A 83 18.162 20.330 -7.734 1.00 0.00 O ATOM 1200 NE2 GLN A 83 19.364 22.184 -7.332 1.00 0.00 N ATOM 0 H GLN A 83 14.525 20.326 -4.327 1.00 0.00 H new ATOM 0 HA GLN A 83 16.529 19.293 -6.246 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.782 21.383 -4.061 1.00 0.00 H new ATOM 0 HB3 GLN A 83 18.174 20.498 -4.652 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.347 21.980 -6.553 1.00 0.00 H new ATOM 0 HG3 GLN A 83 17.624 22.814 -5.691 1.00 0.00 H new ATOM 0 HE21 GLN A 83 19.457 23.051 -6.803 1.00 0.00 H new ATOM 0 HE22 GLN A 83 20.071 21.929 -8.022 1.00 0.00 H new ATOM 1209 N GLU A 84 15.741 18.523 -3.180 1.00 0.00 N ATOM 1210 CA GLU A 84 15.876 17.504 -2.145 1.00 0.00 C ATOM 1211 C GLU A 84 15.082 16.252 -2.506 1.00 0.00 C ATOM 1212 O GLU A 84 14.239 16.277 -3.403 1.00 0.00 O ATOM 1213 CB GLU A 84 15.403 18.050 -0.796 1.00 0.00 C ATOM 1214 CG GLU A 84 16.472 18.824 -0.043 1.00 0.00 C ATOM 1215 CD GLU A 84 17.476 17.917 0.642 1.00 0.00 C ATOM 1216 OE1 GLU A 84 17.625 16.758 0.202 1.00 0.00 O ATOM 1217 OE2 GLU A 84 18.112 18.367 1.618 1.00 0.00 O ATOM 0 H GLU A 84 14.997 19.200 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 84 16.930 17.236 -2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.543 18.699 -0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.063 17.220 -0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.996 19.481 -0.737 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.996 19.462 0.702 1.00 0.00 H new ATOM 1224 N ARG A 85 15.359 15.160 -1.802 1.00 0.00 N ATOM 1225 CA ARG A 85 14.672 13.898 -2.049 1.00 0.00 C ATOM 1226 C ARG A 85 14.772 12.978 -0.835 1.00 0.00 C ATOM 1227 O ARG A 85 15.795 12.943 -0.151 1.00 0.00 O ATOM 1228 CB ARG A 85 15.262 13.204 -3.278 1.00 0.00 C ATOM 1229 CG ARG A 85 14.869 11.741 -3.399 1.00 0.00 C ATOM 1230 CD ARG A 85 15.732 11.015 -4.420 1.00 0.00 C ATOM 1231 NE ARG A 85 16.972 10.516 -3.833 1.00 0.00 N ATOM 1232 CZ ARG A 85 17.897 9.855 -4.520 1.00 0.00 C ATOM 1233 NH1 ARG A 85 17.721 9.613 -5.812 1.00 0.00 N ATOM 1234 NH2 ARG A 85 19.000 9.433 -3.915 1.00 0.00 N ATOM 0 H ARG A 85 16.054 15.123 -1.056 1.00 0.00 H new ATOM 0 HA ARG A 85 13.620 14.116 -2.233 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.938 13.734 -4.174 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.349 13.277 -3.239 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.966 11.256 -2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.821 11.667 -3.689 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.170 10.182 -4.843 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.967 11.691 -5.242 1.00 0.00 H new ATOM 0 HE ARG A 85 17.137 10.684 -2.841 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.874 9.935 -6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.433 9.105 -6.337 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.138 9.616 -2.921 1.00 0.00 H new ATOM 0 HH22 ARG A 85 19.709 8.926 -4.444 1.00 0.00 H new ATOM 1248 N THR A 86 13.702 12.234 -0.574 1.00 0.00 N ATOM 1249 CA THR A 86 13.668 11.315 0.557 1.00 0.00 C ATOM 1250 C THR A 86 13.234 9.921 0.120 1.00 0.00 C ATOM 1251 O THR A 86 12.492 9.767 -0.849 1.00 0.00 O ATOM 1252 CB THR A 86 12.715 11.815 1.659 1.00 0.00 C ATOM 1253 OG1 THR A 86 12.672 10.872 2.735 1.00 0.00 O ATOM 1254 CG2 THR A 86 11.313 12.026 1.107 1.00 0.00 C ATOM 0 H THR A 86 12.847 12.250 -1.131 1.00 0.00 H new ATOM 0 HA THR A 86 14.681 11.269 0.957 1.00 0.00 H new ATOM 0 HB THR A 86 13.091 12.769 2.028 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.293 11.151 3.440 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.658 12.379 1.903 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.344 12.766 0.308 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.931 11.084 0.714 1.00 0.00 H new ATOM 1262 N SER A 87 13.702 8.907 0.842 1.00 0.00 N ATOM 1263 CA SER A 87 13.364 7.524 0.526 1.00 0.00 C ATOM 1264 C SER A 87 12.735 6.830 1.731 1.00 0.00 C ATOM 1265 O SER A 87 13.062 7.134 2.877 1.00 0.00 O ATOM 1266 CB SER A 87 14.612 6.761 0.079 1.00 0.00 C ATOM 1267 OG SER A 87 15.673 6.932 1.003 1.00 0.00 O ATOM 0 H SER A 87 14.316 9.017 1.649 1.00 0.00 H new ATOM 0 HA SER A 87 12.639 7.530 -0.288 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.378 5.701 -0.019 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.923 7.111 -0.905 1.00 0.00 H new ATOM 0 HG SER A 87 16.458 6.433 0.695 1.00 0.00 H new ATOM 1273 N ALA A 88 11.829 5.896 1.461 1.00 0.00 N ATOM 1274 CA ALA A 88 11.155 5.156 2.521 1.00 0.00 C ATOM 1275 C ALA A 88 10.967 3.693 2.135 1.00 0.00 C ATOM 1276 O ALA A 88 10.109 3.360 1.317 1.00 0.00 O ATOM 1277 CB ALA A 88 9.812 5.797 2.839 1.00 0.00 C ATOM 0 H ALA A 88 11.545 5.634 0.517 1.00 0.00 H new ATOM 0 HA ALA A 88 11.783 5.191 3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.319 5.235 3.632 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.968 6.825 3.166 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.186 5.791 1.947 1.00 0.00 H new ATOM 1283 N THR A 89 11.776 2.821 2.729 1.00 0.00 N ATOM 1284 CA THR A 89 11.701 1.393 2.447 1.00 0.00 C ATOM 1285 C THR A 89 10.421 0.788 3.014 1.00 0.00 C ATOM 1286 O THR A 89 10.230 0.740 4.229 1.00 0.00 O ATOM 1287 CB THR A 89 12.912 0.640 3.028 1.00 0.00 C ATOM 1288 OG1 THR A 89 14.128 1.227 2.551 1.00 0.00 O ATOM 1289 CG2 THR A 89 12.870 -0.831 2.646 1.00 0.00 C ATOM 0 H THR A 89 12.491 3.079 3.409 1.00 0.00 H new ATOM 0 HA THR A 89 11.703 1.285 1.362 1.00 0.00 H new ATOM 0 HB THR A 89 12.872 0.718 4.115 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.894 0.744 2.926 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.736 -1.341 3.068 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.957 -1.282 3.035 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.887 -0.926 1.560 1.00 0.00 H new ATOM 1297 N LEU A 90 9.548 0.325 2.126 1.00 0.00 N ATOM 1298 CA LEU A 90 8.286 -0.280 2.538 1.00 0.00 C ATOM 1299 C LEU A 90 8.422 -1.794 2.662 1.00 0.00 C ATOM 1300 O LEU A 90 9.090 -2.437 1.851 1.00 0.00 O ATOM 1301 CB LEU A 90 7.182 0.065 1.536 1.00 0.00 C ATOM 1302 CG LEU A 90 5.899 -0.759 1.642 1.00 0.00 C ATOM 1303 CD1 LEU A 90 4.954 -0.148 2.665 1.00 0.00 C ATOM 1304 CD2 LEU A 90 5.220 -0.866 0.284 1.00 0.00 C ATOM 0 H LEU A 90 9.691 0.357 1.117 1.00 0.00 H new ATOM 0 HA LEU A 90 8.020 0.123 3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.925 1.117 1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.583 -0.052 0.529 1.00 0.00 H new ATOM 0 HG LEU A 90 6.162 -1.763 1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.046 -0.749 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.440 -0.124 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.697 0.867 2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.308 -1.456 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.971 0.132 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.894 -1.350 -0.423 1.00 0.00 H new ATOM 1316 N THR A 91 7.781 -2.359 3.681 1.00 0.00 N ATOM 1317 CA THR A 91 7.830 -3.797 3.911 1.00 0.00 C ATOM 1318 C THR A 91 6.469 -4.439 3.665 1.00 0.00 C ATOM 1319 O THR A 91 5.431 -3.862 3.990 1.00 0.00 O ATOM 1320 CB THR A 91 8.287 -4.122 5.345 1.00 0.00 C ATOM 1321 OG1 THR A 91 9.640 -3.695 5.537 1.00 0.00 O ATOM 1322 CG2 THR A 91 8.176 -5.613 5.624 1.00 0.00 C ATOM 0 H THR A 91 7.222 -1.842 4.360 1.00 0.00 H new ATOM 0 HA THR A 91 8.554 -4.205 3.206 1.00 0.00 H new ATOM 0 HB THR A 91 7.637 -3.589 6.039 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.922 -3.904 6.452 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.504 -5.818 6.643 1.00 0.00 H new ATOM 0 HG22 THR A 91 7.139 -5.929 5.506 1.00 0.00 H new ATOM 0 HG23 THR A 91 8.805 -6.162 4.923 1.00 0.00 H new ATOM 1330 N VAL A 92 6.480 -5.637 3.090 1.00 0.00 N ATOM 1331 CA VAL A 92 5.246 -6.359 2.803 1.00 0.00 C ATOM 1332 C VAL A 92 5.305 -7.785 3.339 1.00 0.00 C ATOM 1333 O VAL A 92 6.164 -8.573 2.942 1.00 0.00 O ATOM 1334 CB VAL A 92 4.960 -6.402 1.290 1.00 0.00 C ATOM 1335 CG1 VAL A 92 3.720 -7.235 1.004 1.00 0.00 C ATOM 1336 CG2 VAL A 92 4.806 -4.994 0.736 1.00 0.00 C ATOM 0 H VAL A 92 7.330 -6.128 2.814 1.00 0.00 H new ATOM 0 HA VAL A 92 4.441 -5.820 3.302 1.00 0.00 H new ATOM 0 HB VAL A 92 5.807 -6.873 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.534 -7.254 -0.070 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.874 -8.252 1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.862 -6.797 1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.604 -5.044 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.978 -4.494 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.725 -4.433 0.906 1.00 0.00 H new ATOM 1346 N ARG A 93 4.387 -8.110 4.243 1.00 0.00 N ATOM 1347 CA ARG A 93 4.336 -9.441 4.835 1.00 0.00 C ATOM 1348 C ARG A 93 3.538 -10.398 3.952 1.00 0.00 C ATOM 1349 O ARG A 93 2.356 -10.178 3.692 1.00 0.00 O ATOM 1350 CB ARG A 93 3.713 -9.379 6.230 1.00 0.00 C ATOM 1351 CG ARG A 93 4.665 -8.870 7.300 1.00 0.00 C ATOM 1352 CD ARG A 93 3.941 -8.608 8.611 1.00 0.00 C ATOM 1353 NE ARG A 93 3.040 -7.462 8.520 1.00 0.00 N ATOM 1354 CZ ARG A 93 2.316 -7.013 9.539 1.00 0.00 C ATOM 1355 NH1 ARG A 93 2.388 -7.609 10.721 1.00 0.00 N ATOM 1356 NH2 ARG A 93 1.519 -5.964 9.377 1.00 0.00 N ATOM 0 H ARG A 93 3.669 -7.470 4.581 1.00 0.00 H new ATOM 0 HA ARG A 93 5.357 -9.814 4.917 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.836 -8.732 6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.366 -10.374 6.508 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.458 -9.601 7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.142 -7.952 6.957 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.373 -9.494 8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.672 -8.432 9.400 1.00 0.00 H new ATOM 0 HE ARG A 93 2.963 -6.980 7.624 1.00 0.00 H new ATOM 0 HH11 ARG A 93 3.001 -8.414 10.850 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.831 -7.262 11.502 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.462 -5.502 8.469 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.963 -5.620 10.160 1.00 0.00 H new ATOM 1370 N ALA A 94 4.195 -11.459 3.496 1.00 0.00 N ATOM 1371 CA ALA A 94 3.547 -12.450 2.645 1.00 0.00 C ATOM 1372 C ALA A 94 2.639 -13.365 3.460 1.00 0.00 C ATOM 1373 O ALA A 94 3.056 -13.927 4.473 1.00 0.00 O ATOM 1374 CB ALA A 94 4.591 -13.267 1.898 1.00 0.00 C ATOM 0 H ALA A 94 5.175 -11.655 3.701 1.00 0.00 H new ATOM 0 HA ALA A 94 2.928 -11.921 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.093 -14.003 1.266 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.195 -12.605 1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.233 -13.779 2.615 1.00 0.00 H new ATOM 1380 N LEU A 95 1.397 -13.510 3.011 1.00 0.00 N ATOM 1381 CA LEU A 95 0.429 -14.357 3.700 1.00 0.00 C ATOM 1382 C LEU A 95 1.101 -15.605 4.262 1.00 0.00 C ATOM 1383 O LEU A 95 2.119 -16.076 3.753 1.00 0.00 O ATOM 1384 CB LEU A 95 -0.698 -14.756 2.746 1.00 0.00 C ATOM 1385 CG LEU A 95 -1.525 -13.608 2.166 1.00 0.00 C ATOM 1386 CD1 LEU A 95 -2.949 -14.064 1.889 1.00 0.00 C ATOM 1387 CD2 LEU A 95 -1.519 -12.416 3.112 1.00 0.00 C ATOM 0 H LEU A 95 1.037 -13.053 2.174 1.00 0.00 H new ATOM 0 HA LEU A 95 0.010 -13.788 4.530 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.265 -15.319 1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.371 -15.432 3.273 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.074 -13.300 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.523 -13.234 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.935 -14.886 1.174 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.411 -14.399 2.818 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.112 -11.608 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.946 -12.710 4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -0.495 -12.074 3.260 1.00 0.00 H new ATOM 1399 N PRO A 96 0.520 -16.157 5.338 1.00 0.00 N ATOM 1400 CA PRO A 96 1.044 -17.360 5.991 1.00 0.00 C ATOM 1401 C PRO A 96 0.868 -18.609 5.134 1.00 0.00 C ATOM 1402 O PRO A 96 -0.198 -18.836 4.563 1.00 0.00 O ATOM 1403 CB PRO A 96 0.204 -17.465 7.267 1.00 0.00 C ATOM 1404 CG PRO A 96 -1.067 -16.758 6.943 1.00 0.00 C ATOM 1405 CD PRO A 96 -0.695 -15.649 5.998 1.00 0.00 C ATOM 0 HA PRO A 96 2.116 -17.290 6.174 1.00 0.00 H new ATOM 0 HB2 PRO A 96 0.021 -18.505 7.536 1.00 0.00 H new ATOM 0 HB3 PRO A 96 0.710 -17.001 8.114 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -1.785 -17.437 6.484 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.534 -16.362 7.845 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -1.490 -15.450 5.279 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -0.504 -14.716 6.528 1.00 0.00 H new ATOM 1413 N ALA A 97 1.922 -19.415 5.048 1.00 0.00 N ATOM 1414 CA ALA A 97 1.883 -20.641 4.262 1.00 0.00 C ATOM 1415 C ALA A 97 0.840 -21.611 4.809 1.00 0.00 C ATOM 1416 O ALA A 97 0.460 -21.535 5.977 1.00 0.00 O ATOM 1417 CB ALA A 97 3.255 -21.298 4.240 1.00 0.00 C ATOM 0 H ALA A 97 2.813 -19.240 5.513 1.00 0.00 H new ATOM 0 HA ALA A 97 1.600 -20.380 3.242 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.211 -22.213 3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 97 3.979 -20.614 3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.560 -21.538 5.259 1.00 0.00 H new ATOM 1423 N ARG A 98 0.380 -22.520 3.956 1.00 0.00 N ATOM 1424 CA ARG A 98 -0.621 -23.503 4.353 1.00 0.00 C ATOM 1425 C ARG A 98 -0.111 -24.922 4.123 1.00 0.00 C ATOM 1426 O ARG A 98 0.805 -25.143 3.331 1.00 0.00 O ATOM 1427 CB ARG A 98 -1.920 -23.284 3.574 1.00 0.00 C ATOM 1428 CG ARG A 98 -1.741 -23.337 2.066 1.00 0.00 C ATOM 1429 CD ARG A 98 -1.428 -21.964 1.493 1.00 0.00 C ATOM 1430 NE ARG A 98 -1.260 -22.001 0.043 1.00 0.00 N ATOM 1431 CZ ARG A 98 -0.129 -22.355 -0.557 1.00 0.00 C ATOM 1432 NH1 ARG A 98 0.928 -22.701 0.165 1.00 0.00 N ATOM 1433 NH2 ARG A 98 -0.053 -22.364 -1.882 1.00 0.00 N ATOM 0 H ARG A 98 0.684 -22.596 2.985 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.818 -23.374 5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -2.645 -24.041 3.872 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -2.339 -22.316 3.848 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -0.935 -24.028 1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.648 -23.727 1.604 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.232 -21.273 1.747 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -0.519 -21.578 1.953 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.055 -21.741 -0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 98 0.874 -22.696 1.184 1.00 0.00 H new ATOM 0 HH12 ARG A 98 1.795 -22.972 -0.298 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.864 -22.099 -2.441 1.00 0.00 H new ATOM 0 HH22 ARG A 98 0.816 -22.636 -2.341 1.00 0.00 H new ATOM 1447 N PHE A 99 -0.710 -25.881 4.821 1.00 0.00 N ATOM 1448 CA PHE A 99 -0.315 -27.279 4.695 1.00 0.00 C ATOM 1449 C PHE A 99 -1.285 -28.188 5.444 1.00 0.00 C ATOM 1450 O PHE A 99 -2.061 -27.731 6.284 1.00 0.00 O ATOM 1451 CB PHE A 99 1.105 -27.481 5.227 1.00 0.00 C ATOM 1452 CG PHE A 99 1.818 -28.648 4.607 1.00 0.00 C ATOM 1453 CD1 PHE A 99 2.402 -28.535 3.356 1.00 0.00 C ATOM 1454 CD2 PHE A 99 1.903 -29.859 5.275 1.00 0.00 C ATOM 1455 CE1 PHE A 99 3.059 -29.608 2.783 1.00 0.00 C ATOM 1456 CE2 PHE A 99 2.560 -30.935 4.707 1.00 0.00 C ATOM 1457 CZ PHE A 99 3.137 -30.809 3.459 1.00 0.00 C ATOM 0 H PHE A 99 -1.471 -25.716 5.480 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.340 -27.543 3.638 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.684 -26.575 5.047 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.063 -27.623 6.307 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.343 -27.598 2.822 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.451 -29.964 6.250 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.511 -29.507 1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.622 -31.873 5.239 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.649 -31.649 3.012 1.00 0.00 H new ATOM 1467 N THR A 100 -1.235 -29.480 5.134 1.00 0.00 N ATOM 1468 CA THR A 100 -2.109 -30.454 5.776 1.00 0.00 C ATOM 1469 C THR A 100 -1.615 -30.798 7.176 1.00 0.00 C ATOM 1470 O THR A 100 -1.515 -31.970 7.538 1.00 0.00 O ATOM 1471 CB THR A 100 -2.211 -31.749 4.947 1.00 0.00 C ATOM 1472 OG1 THR A 100 -3.187 -32.624 5.524 1.00 0.00 O ATOM 1473 CG2 THR A 100 -0.866 -32.455 4.879 1.00 0.00 C ATOM 0 H THR A 100 -0.598 -29.876 4.442 1.00 0.00 H new ATOM 0 HA THR A 100 -3.096 -29.996 5.845 1.00 0.00 H new ATOM 0 HB THR A 100 -2.515 -31.484 3.935 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.938 -32.827 6.450 1.00 0.00 H new ATOM 0 HG21 THR A 100 -0.963 -33.366 4.289 1.00 0.00 H new ATOM 0 HG22 THR A 100 -0.133 -31.797 4.413 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.537 -32.709 5.887 1.00 0.00 H new ATOM 1481 N GLU A 101 -1.308 -29.769 7.959 1.00 0.00 N ATOM 1482 CA GLU A 101 -0.824 -29.964 9.321 1.00 0.00 C ATOM 1483 C GLU A 101 -1.948 -29.758 10.333 1.00 0.00 C ATOM 1484 O GLU A 101 -2.217 -30.625 11.163 1.00 0.00 O ATOM 1485 CB GLU A 101 0.328 -29.002 9.619 1.00 0.00 C ATOM 1486 CG GLU A 101 1.332 -29.547 10.622 1.00 0.00 C ATOM 1487 CD GLU A 101 0.722 -29.778 11.991 1.00 0.00 C ATOM 1488 OE1 GLU A 101 0.502 -28.786 12.718 1.00 0.00 O ATOM 1489 OE2 GLU A 101 0.465 -30.950 12.335 1.00 0.00 O ATOM 0 H GLU A 101 -1.386 -28.793 7.674 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.464 -30.989 9.408 1.00 0.00 H new ATOM 0 HB2 GLU A 101 0.846 -28.770 8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.081 -28.066 9.999 1.00 0.00 H new ATOM 0 HG2 GLU A 101 1.741 -30.485 10.248 1.00 0.00 H new ATOM 0 HG3 GLU A 101 2.165 -28.850 10.712 1.00 0.00 H new ATOM 1496 N GLY A 102 -2.600 -28.601 10.257 1.00 0.00 N ATOM 1497 CA GLY A 102 -3.686 -28.301 11.171 1.00 0.00 C ATOM 1498 C GLY A 102 -5.022 -28.183 10.465 1.00 0.00 C ATOM 1499 O GLY A 102 -5.253 -27.237 9.713 1.00 0.00 O ATOM 0 H GLY A 102 -2.395 -27.867 9.579 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -3.746 -29.083 11.928 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.471 -27.369 11.693 1.00 0.00 H new ATOM 1503 N SER A 103 -5.904 -29.147 10.707 1.00 0.00 N ATOM 1504 CA SER A 103 -7.223 -29.151 10.084 1.00 0.00 C ATOM 1505 C SER A 103 -8.030 -27.930 10.515 1.00 0.00 C ATOM 1506 O SER A 103 -8.798 -27.371 9.733 1.00 0.00 O ATOM 1507 CB SER A 103 -7.979 -30.430 10.447 1.00 0.00 C ATOM 1508 OG SER A 103 -8.467 -30.374 11.776 1.00 0.00 O ATOM 0 H SER A 103 -5.730 -29.936 11.330 1.00 0.00 H new ATOM 0 HA SER A 103 -7.087 -29.113 9.003 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.810 -30.573 9.757 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.319 -31.290 10.334 1.00 0.00 H new ATOM 0 HG SER A 103 -8.948 -31.202 11.983 1.00 0.00 H new ATOM 1514 N GLY A 104 -7.850 -27.521 11.768 1.00 0.00 N ATOM 1515 CA GLY A 104 -8.568 -26.370 12.283 1.00 0.00 C ATOM 1516 C GLY A 104 -9.756 -26.763 13.139 1.00 0.00 C ATOM 1517 O GLY A 104 -10.894 -26.816 12.673 1.00 0.00 O ATOM 0 H GLY A 104 -7.220 -27.966 12.435 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -7.888 -25.755 12.872 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -8.911 -25.757 11.450 1.00 0.00 H new ATOM 1521 N PRO A 105 -9.495 -27.048 14.424 1.00 0.00 N ATOM 1522 CA PRO A 105 -10.539 -27.444 15.374 1.00 0.00 C ATOM 1523 C PRO A 105 -11.477 -26.292 15.718 1.00 0.00 C ATOM 1524 O PRO A 105 -11.033 -25.215 16.116 1.00 0.00 O ATOM 1525 CB PRO A 105 -9.747 -27.876 16.610 1.00 0.00 C ATOM 1526 CG PRO A 105 -8.461 -27.131 16.516 1.00 0.00 C ATOM 1527 CD PRO A 105 -8.162 -27.005 15.048 1.00 0.00 C ATOM 0 HA PRO A 105 -11.184 -28.224 14.970 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.281 -27.630 17.528 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -9.581 -28.953 16.617 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.543 -26.150 16.983 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.663 -27.664 17.033 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.642 -26.074 14.822 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.527 -27.818 14.696 1.00 0.00 H new ATOM 1535 N SER A 106 -12.776 -26.526 15.562 1.00 0.00 N ATOM 1536 CA SER A 106 -13.777 -25.507 15.853 1.00 0.00 C ATOM 1537 C SER A 106 -15.063 -26.141 16.376 1.00 0.00 C ATOM 1538 O SER A 106 -15.164 -27.362 16.490 1.00 0.00 O ATOM 1539 CB SER A 106 -14.075 -24.682 14.600 1.00 0.00 C ATOM 1540 OG SER A 106 -14.419 -25.518 13.508 1.00 0.00 O ATOM 0 H SER A 106 -13.160 -27.413 15.236 1.00 0.00 H new ATOM 0 HA SER A 106 -13.376 -24.850 16.625 1.00 0.00 H new ATOM 0 HB2 SER A 106 -14.892 -23.989 14.803 1.00 0.00 H new ATOM 0 HB3 SER A 106 -13.204 -24.081 14.341 1.00 0.00 H new ATOM 0 HG SER A 106 -14.606 -24.966 12.720 1.00 0.00 H new ATOM 1546 N SER A 107 -16.043 -25.301 16.692 1.00 0.00 N ATOM 1547 CA SER A 107 -17.322 -25.778 17.206 1.00 0.00 C ATOM 1548 C SER A 107 -18.414 -25.650 16.149 1.00 0.00 C ATOM 1549 O SER A 107 -18.559 -24.607 15.513 1.00 0.00 O ATOM 1550 CB SER A 107 -17.715 -24.994 18.460 1.00 0.00 C ATOM 1551 OG SER A 107 -16.998 -25.451 19.593 1.00 0.00 O ATOM 0 H SER A 107 -15.976 -24.287 16.601 1.00 0.00 H new ATOM 0 HA SER A 107 -17.213 -26.831 17.464 1.00 0.00 H new ATOM 0 HB2 SER A 107 -17.519 -23.933 18.306 1.00 0.00 H new ATOM 0 HB3 SER A 107 -18.785 -25.098 18.637 1.00 0.00 H new ATOM 0 HG SER A 107 -17.266 -24.933 20.381 1.00 0.00 H new ATOM 1557 N GLY A 108 -19.181 -26.721 15.968 1.00 0.00 N ATOM 1558 CA GLY A 108 -20.251 -26.710 14.987 1.00 0.00 C ATOM 1559 C GLY A 108 -20.669 -28.105 14.568 1.00 0.00 C ATOM 1560 O GLY A 108 -21.572 -28.270 13.748 1.00 0.00 O ATOM 0 H GLY A 108 -19.081 -27.596 16.483 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -21.112 -26.185 15.400 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -19.928 -26.152 14.108 1.00 0.00 H new TER 1564 GLY A 108