USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 440 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 53 ASN : amide:sc= 1.01 K(o=1.1,f=-5!) USER MOD Set 1.2: A 54 THR OG1 : rot 180:sc= 0.105 USER MOD Set 2.1: A 4 THR OG1 : rot -62:sc= 1.23 USER MOD Set 2.2: A 39 GLN : amide:sc= 0.0379 K(o=1.3,f=-1.1) USER MOD Set 3.1: A 22 SER OG : rot 80:sc= 0.767 USER MOD Set 3.2: A 43 SER OG : rot 66:sc= 2.03 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.522 K(o=0.52,f=-7.4!) USER MOD Single : A 9 THR OG1 : rot 90:sc= -0.809 USER MOD Single : A 11 SER OG : rot 180:sc= 0.178 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= 1.21 (180deg=1.03) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.1 K(o=-0.1,f=-1.7!) USER MOD Single : A 23 MET CE :methyl -144:sc= 0 (180deg=-1.85) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 75:sc= 0.587 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 101:sc= 1.26 USER MOD Single : A 45 LYS NZ :NH3+ -124:sc= -0.012 (180deg=-0.31) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 0.0773 (180deg=-0.21) USER MOD Single : A 52 THR OG1 : rot -103:sc= 1.3 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.121 K(o=-0.12,f=-4.2!) USER MOD Single : A 65 ASN : amide:sc= -0.705 K(o=-0.7,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 14 N ALA A 2 0.373 13.713 -6.266 1.00 0.00 N ATOM 15 CA ALA A 2 1.355 12.639 -6.284 1.00 0.00 C ATOM 16 C ALA A 2 2.502 12.961 -5.335 1.00 0.00 C ATOM 17 O ALA A 2 3.345 13.808 -5.624 1.00 0.00 O ATOM 18 CB ALA A 2 1.871 12.414 -7.696 1.00 0.00 C ATOM 0 HA ALA A 2 0.876 11.720 -5.947 1.00 0.00 H new ATOM 0 HB1 ALA A 2 2.604 11.608 -7.691 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.040 12.145 -8.348 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.339 13.328 -8.062 1.00 0.00 H new ATOM 24 N THR A 3 2.517 12.286 -4.197 1.00 0.00 N ATOM 25 CA THR A 3 3.505 12.554 -3.168 1.00 0.00 C ATOM 26 C THR A 3 4.697 11.606 -3.288 1.00 0.00 C ATOM 27 O THR A 3 4.537 10.428 -3.622 1.00 0.00 O ATOM 28 CB THR A 3 2.880 12.427 -1.766 1.00 0.00 C ATOM 29 OG1 THR A 3 1.451 12.540 -1.857 1.00 0.00 O ATOM 30 CG2 THR A 3 3.412 13.502 -0.833 1.00 0.00 C ATOM 0 H THR A 3 1.854 11.547 -3.963 1.00 0.00 H new ATOM 0 HA THR A 3 3.857 13.576 -3.309 1.00 0.00 H new ATOM 0 HB THR A 3 3.149 11.451 -1.362 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.059 12.457 -0.963 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.955 13.390 0.150 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.494 13.403 -0.743 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.170 14.486 -1.236 1.00 0.00 H new ATOM 38 N THR A 4 5.887 12.130 -3.032 1.00 0.00 N ATOM 39 CA THR A 4 7.102 11.339 -3.098 1.00 0.00 C ATOM 40 C THR A 4 7.477 10.819 -1.719 1.00 0.00 C ATOM 41 O THR A 4 7.602 11.594 -0.766 1.00 0.00 O ATOM 42 CB THR A 4 8.270 12.167 -3.661 1.00 0.00 C ATOM 43 OG1 THR A 4 7.761 13.285 -4.404 1.00 0.00 O ATOM 44 CG2 THR A 4 9.157 11.310 -4.555 1.00 0.00 C ATOM 0 H THR A 4 6.035 13.106 -2.775 1.00 0.00 H new ATOM 0 HA THR A 4 6.911 10.497 -3.764 1.00 0.00 H new ATOM 0 HB THR A 4 8.870 12.531 -2.827 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.237 12.960 -5.166 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.976 11.915 -4.942 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.561 10.479 -3.977 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.569 10.921 -5.386 1.00 0.00 H new ATOM 52 N ILE A 5 7.635 9.510 -1.606 1.00 0.00 N ATOM 53 CA ILE A 5 8.018 8.904 -0.340 1.00 0.00 C ATOM 54 C ILE A 5 9.532 8.710 -0.280 1.00 0.00 C ATOM 55 O ILE A 5 10.171 8.406 -1.294 1.00 0.00 O ATOM 56 CB ILE A 5 7.278 7.560 -0.082 1.00 0.00 C ATOM 57 CG1 ILE A 5 8.120 6.348 -0.495 1.00 0.00 C ATOM 58 CG2 ILE A 5 5.939 7.534 -0.807 1.00 0.00 C ATOM 59 CD1 ILE A 5 8.365 5.374 0.635 1.00 0.00 C ATOM 0 H ILE A 5 7.505 8.849 -2.372 1.00 0.00 H new ATOM 0 HA ILE A 5 7.717 9.589 0.453 1.00 0.00 H new ATOM 0 HB ILE A 5 7.106 7.494 0.992 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.619 5.828 -1.311 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.079 6.695 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.439 6.585 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.315 8.353 -0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.103 7.645 -1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.967 4.541 0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.894 5.880 1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.411 4.999 1.005 1.00 0.00 H new ATOM 71 N GLY A 6 10.101 8.902 0.901 1.00 0.00 N ATOM 72 CA GLY A 6 11.537 8.800 1.057 1.00 0.00 C ATOM 73 C GLY A 6 11.950 7.571 1.841 1.00 0.00 C ATOM 74 O GLY A 6 11.513 6.463 1.532 1.00 0.00 O ATOM 0 H GLY A 6 9.592 9.127 1.756 1.00 0.00 H new ATOM 0 HA2 GLY A 6 12.005 8.773 0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 6 11.908 9.691 1.563 1.00 0.00 H new ATOM 78 N PRO A 7 12.780 7.743 2.880 1.00 0.00 N ATOM 79 CA PRO A 7 13.321 6.629 3.661 1.00 0.00 C ATOM 80 C PRO A 7 12.326 6.080 4.685 1.00 0.00 C ATOM 81 O PRO A 7 12.468 6.311 5.890 1.00 0.00 O ATOM 82 CB PRO A 7 14.522 7.259 4.362 1.00 0.00 C ATOM 83 CG PRO A 7 14.156 8.692 4.531 1.00 0.00 C ATOM 84 CD PRO A 7 13.261 9.048 3.372 1.00 0.00 C ATOM 0 HA PRO A 7 13.567 5.771 3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.713 6.783 5.324 1.00 0.00 H new ATOM 0 HB3 PRO A 7 15.429 7.150 3.767 1.00 0.00 H new ATOM 0 HG2 PRO A 7 13.643 8.852 5.480 1.00 0.00 H new ATOM 0 HG3 PRO A 7 15.046 9.321 4.540 1.00 0.00 H new ATOM 0 HD2 PRO A 7 12.435 9.685 3.687 1.00 0.00 H new ATOM 0 HD3 PRO A 7 13.805 9.590 2.599 1.00 0.00 H new ATOM 92 N ASN A 8 11.322 5.357 4.183 1.00 0.00 N ATOM 93 CA ASN A 8 10.300 4.706 5.013 1.00 0.00 C ATOM 94 C ASN A 8 9.375 5.732 5.662 1.00 0.00 C ATOM 95 O ASN A 8 9.736 6.404 6.627 1.00 0.00 O ATOM 96 CB ASN A 8 10.926 3.800 6.086 1.00 0.00 C ATOM 97 CG ASN A 8 9.903 2.901 6.766 1.00 0.00 C ATOM 98 OD1 ASN A 8 8.698 3.027 6.546 1.00 0.00 O ATOM 99 ND2 ASN A 8 10.380 1.982 7.592 1.00 0.00 N ATOM 0 H ASN A 8 11.193 5.205 3.183 1.00 0.00 H new ATOM 0 HA ASN A 8 9.707 4.078 4.347 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.699 3.183 5.628 1.00 0.00 H new ATOM 0 HB3 ASN A 8 11.416 4.419 6.838 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.742 1.347 8.072 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.385 1.909 7.748 1.00 0.00 H new ATOM 106 N THR A 9 8.175 5.835 5.120 1.00 0.00 N ATOM 107 CA THR A 9 7.180 6.769 5.617 1.00 0.00 C ATOM 108 C THR A 9 6.319 6.133 6.713 1.00 0.00 C ATOM 109 O THR A 9 5.465 6.788 7.309 1.00 0.00 O ATOM 110 CB THR A 9 6.282 7.235 4.462 1.00 0.00 C ATOM 111 OG1 THR A 9 7.042 7.239 3.246 1.00 0.00 O ATOM 112 CG2 THR A 9 5.722 8.624 4.724 1.00 0.00 C ATOM 0 H THR A 9 7.863 5.276 4.326 1.00 0.00 H new ATOM 0 HA THR A 9 7.703 7.624 6.046 1.00 0.00 H new ATOM 0 HB THR A 9 5.442 6.546 4.376 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.967 6.364 2.811 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.091 8.925 3.888 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.131 8.611 5.639 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.543 9.333 4.832 1.00 0.00 H new ATOM 120 N CYS A 10 6.565 4.860 6.990 1.00 0.00 N ATOM 121 CA CYS A 10 5.769 4.126 7.961 1.00 0.00 C ATOM 122 C CYS A 10 6.506 3.993 9.287 1.00 0.00 C ATOM 123 O CYS A 10 6.654 2.894 9.830 1.00 0.00 O ATOM 124 CB CYS A 10 5.407 2.749 7.407 1.00 0.00 C ATOM 125 SG CYS A 10 3.879 2.744 6.418 1.00 0.00 S ATOM 0 H CYS A 10 7.310 4.315 6.555 1.00 0.00 H new ATOM 0 HA CYS A 10 4.852 4.685 8.145 1.00 0.00 H new ATOM 0 HB2 CYS A 10 6.230 2.386 6.792 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.296 2.050 8.236 1.00 0.00 H new ATOM 130 N SER A 11 6.950 5.126 9.811 1.00 0.00 N ATOM 131 CA SER A 11 7.668 5.180 11.077 1.00 0.00 C ATOM 132 C SER A 11 6.713 5.009 12.268 1.00 0.00 C ATOM 133 O SER A 11 6.683 5.825 13.191 1.00 0.00 O ATOM 134 CB SER A 11 8.402 6.517 11.158 1.00 0.00 C ATOM 135 OG SER A 11 8.211 7.260 9.960 1.00 0.00 O ATOM 0 H SER A 11 6.822 6.037 9.369 1.00 0.00 H new ATOM 0 HA SER A 11 8.384 4.359 11.123 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.036 7.089 12.011 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.466 6.346 11.322 1.00 0.00 H new ATOM 0 HG SER A 11 8.685 8.115 10.026 1.00 0.00 H new ATOM 141 N ILE A 12 5.935 3.936 12.229 1.00 0.00 N ATOM 142 CA ILE A 12 4.963 3.633 13.274 1.00 0.00 C ATOM 143 C ILE A 12 5.420 2.430 14.087 1.00 0.00 C ATOM 144 O ILE A 12 5.244 2.382 15.304 1.00 0.00 O ATOM 145 CB ILE A 12 3.568 3.319 12.679 1.00 0.00 C ATOM 146 CG1 ILE A 12 3.234 4.276 11.530 1.00 0.00 C ATOM 147 CG2 ILE A 12 2.496 3.379 13.758 1.00 0.00 C ATOM 148 CD1 ILE A 12 3.098 5.722 11.953 1.00 0.00 C ATOM 0 H ILE A 12 5.959 3.251 11.474 1.00 0.00 H new ATOM 0 HA ILE A 12 4.889 4.515 13.910 1.00 0.00 H new ATOM 0 HB ILE A 12 3.593 2.306 12.278 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.013 4.202 10.771 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.303 3.956 11.063 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.524 3.155 13.318 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.720 2.648 14.534 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.475 4.377 14.195 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.861 6.335 11.083 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.299 5.812 12.689 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.036 6.062 12.392 1.00 0.00 H new ATOM 160 N ASP A 13 6.022 1.474 13.388 1.00 0.00 N ATOM 161 CA ASP A 13 6.441 0.200 13.964 1.00 0.00 C ATOM 162 C ASP A 13 6.990 -0.674 12.845 1.00 0.00 C ATOM 163 O ASP A 13 7.552 -0.155 11.877 1.00 0.00 O ATOM 164 CB ASP A 13 5.260 -0.504 14.650 1.00 0.00 C ATOM 165 CG ASP A 13 5.706 -1.435 15.757 1.00 0.00 C ATOM 166 OD1 ASP A 13 5.846 -0.978 16.909 1.00 0.00 O ATOM 167 OD2 ASP A 13 5.912 -2.637 15.477 1.00 0.00 O ATOM 0 H ASP A 13 6.235 1.562 12.394 1.00 0.00 H new ATOM 0 HA ASP A 13 7.208 0.376 14.718 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.583 0.245 15.060 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.697 -1.070 13.908 1.00 0.00 H new ATOM 172 N ASP A 14 6.814 -1.983 12.947 1.00 0.00 N ATOM 173 CA ASP A 14 7.160 -2.870 11.845 1.00 0.00 C ATOM 174 C ASP A 14 6.035 -2.868 10.816 1.00 0.00 C ATOM 175 O ASP A 14 5.310 -3.849 10.651 1.00 0.00 O ATOM 176 CB ASP A 14 7.431 -4.296 12.330 1.00 0.00 C ATOM 177 CG ASP A 14 7.759 -5.236 11.184 1.00 0.00 C ATOM 178 OD1 ASP A 14 8.457 -4.813 10.236 1.00 0.00 O ATOM 179 OD2 ASP A 14 7.305 -6.397 11.215 1.00 0.00 O ATOM 0 H ASP A 14 6.438 -2.451 13.772 1.00 0.00 H new ATOM 0 HA ASP A 14 8.077 -2.501 11.387 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.259 -4.286 13.039 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.558 -4.669 12.865 1.00 0.00 H new ATOM 184 N TYR A 15 5.878 -1.742 10.150 1.00 0.00 N ATOM 185 CA TYR A 15 4.853 -1.586 9.140 1.00 0.00 C ATOM 186 C TYR A 15 5.495 -1.215 7.818 1.00 0.00 C ATOM 187 O TYR A 15 6.418 -0.402 7.777 1.00 0.00 O ATOM 188 CB TYR A 15 3.843 -0.517 9.558 1.00 0.00 C ATOM 189 CG TYR A 15 2.770 -1.031 10.491 1.00 0.00 C ATOM 190 CD1 TYR A 15 1.657 -1.700 9.999 1.00 0.00 C ATOM 191 CD2 TYR A 15 2.871 -0.849 11.864 1.00 0.00 C ATOM 192 CE1 TYR A 15 0.676 -2.171 10.849 1.00 0.00 C ATOM 193 CE2 TYR A 15 1.894 -1.317 12.719 1.00 0.00 C ATOM 194 CZ TYR A 15 0.800 -1.976 12.208 1.00 0.00 C ATOM 195 OH TYR A 15 -0.171 -2.445 13.060 1.00 0.00 O ATOM 0 H TYR A 15 6.455 -0.913 10.293 1.00 0.00 H new ATOM 0 HA TYR A 15 4.321 -2.531 9.028 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.373 0.302 10.044 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.371 -0.106 8.666 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.557 -1.854 8.935 1.00 0.00 H new ATOM 0 HD2 TYR A 15 3.728 -0.333 12.269 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.184 -2.689 10.451 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.988 -1.167 13.784 1.00 0.00 H new ATOM 0 HH TYR A 15 0.071 -2.225 13.984 1.00 0.00 H new ATOM 205 N LYS A 16 5.019 -1.816 6.744 1.00 0.00 N ATOM 206 CA LYS A 16 5.581 -1.562 5.434 1.00 0.00 C ATOM 207 C LYS A 16 4.716 -0.552 4.691 1.00 0.00 C ATOM 208 O LYS A 16 3.485 -0.613 4.769 1.00 0.00 O ATOM 209 CB LYS A 16 5.701 -2.869 4.647 1.00 0.00 C ATOM 210 CG LYS A 16 6.951 -3.669 4.992 1.00 0.00 C ATOM 211 CD LYS A 16 6.608 -4.980 5.688 1.00 0.00 C ATOM 212 CE LYS A 16 6.717 -4.863 7.203 1.00 0.00 C ATOM 213 NZ LYS A 16 7.913 -5.570 7.741 1.00 0.00 N ATOM 0 H LYS A 16 4.246 -2.482 6.754 1.00 0.00 H new ATOM 0 HA LYS A 16 6.582 -1.144 5.545 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.821 -3.483 4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.705 -2.644 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.513 -3.877 4.081 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.598 -3.073 5.636 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.595 -5.280 5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.277 -5.765 5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.765 -3.810 7.481 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.818 -5.274 7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.090 -5.260 8.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.744 -6.596 7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.741 -5.349 7.152 1.00 0.00 H new ATOM 227 N PRO A 17 5.346 0.396 3.980 1.00 0.00 N ATOM 228 CA PRO A 17 4.641 1.464 3.275 1.00 0.00 C ATOM 229 C PRO A 17 4.030 0.983 1.965 1.00 0.00 C ATOM 230 O PRO A 17 4.730 0.505 1.069 1.00 0.00 O ATOM 231 CB PRO A 17 5.736 2.512 3.001 1.00 0.00 C ATOM 232 CG PRO A 17 6.976 2.002 3.665 1.00 0.00 C ATOM 233 CD PRO A 17 6.795 0.518 3.815 1.00 0.00 C ATOM 0 HA PRO A 17 3.806 1.850 3.860 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.893 2.641 1.930 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.452 3.485 3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.858 2.227 3.066 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.120 2.476 4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.152 -0.026 2.940 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.337 0.127 4.676 1.00 0.00 H new ATOM 241 N TYR A 18 2.716 1.087 1.868 1.00 0.00 N ATOM 242 CA TYR A 18 2.009 0.707 0.661 1.00 0.00 C ATOM 243 C TYR A 18 1.063 1.825 0.241 1.00 0.00 C ATOM 244 O TYR A 18 0.438 2.477 1.079 1.00 0.00 O ATOM 245 CB TYR A 18 1.227 -0.588 0.886 1.00 0.00 C ATOM 246 CG TYR A 18 2.091 -1.827 0.987 1.00 0.00 C ATOM 247 CD1 TYR A 18 2.670 -2.386 -0.143 1.00 0.00 C ATOM 248 CD2 TYR A 18 2.328 -2.434 2.215 1.00 0.00 C ATOM 249 CE1 TYR A 18 3.457 -3.518 -0.054 1.00 0.00 C ATOM 250 CE2 TYR A 18 3.113 -3.565 2.310 1.00 0.00 C ATOM 251 CZ TYR A 18 3.677 -4.099 1.176 1.00 0.00 C ATOM 252 OH TYR A 18 4.458 -5.225 1.274 1.00 0.00 O ATOM 0 H TYR A 18 2.116 1.434 2.616 1.00 0.00 H new ATOM 0 HA TYR A 18 2.736 0.539 -0.133 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.642 -0.491 1.801 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.519 -0.718 0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.503 -1.929 -1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.891 -2.014 3.109 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.897 -3.945 -0.943 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.283 -4.028 3.271 1.00 0.00 H new ATOM 0 HH TYR A 18 4.512 -5.505 2.212 1.00 0.00 H new ATOM 262 N CYS A 19 0.971 2.056 -1.054 1.00 0.00 N ATOM 263 CA CYS A 19 0.112 3.101 -1.581 1.00 0.00 C ATOM 264 C CYS A 19 -1.262 2.533 -1.911 1.00 0.00 C ATOM 265 O CYS A 19 -1.453 1.900 -2.950 1.00 0.00 O ATOM 266 CB CYS A 19 0.753 3.733 -2.817 1.00 0.00 C ATOM 267 SG CYS A 19 2.515 4.140 -2.598 1.00 0.00 S ATOM 0 H CYS A 19 1.483 1.532 -1.764 1.00 0.00 H new ATOM 0 HA CYS A 19 -0.012 3.877 -0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.649 3.049 -3.660 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.208 4.641 -3.074 1.00 0.00 H new ATOM 272 N CYS A 20 -2.212 2.750 -1.013 1.00 0.00 N ATOM 273 CA CYS A 20 -3.544 2.195 -1.169 1.00 0.00 C ATOM 274 C CYS A 20 -4.434 3.136 -1.962 1.00 0.00 C ATOM 275 O CYS A 20 -4.594 4.302 -1.609 1.00 0.00 O ATOM 276 CB CYS A 20 -4.181 1.923 0.196 1.00 0.00 C ATOM 277 SG CYS A 20 -3.930 0.226 0.806 1.00 0.00 S ATOM 0 H CYS A 20 -2.083 3.307 -0.169 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.448 1.255 -1.713 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.771 2.624 0.923 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.251 2.120 0.132 1.00 0.00 H new ATOM 282 N GLN A 21 -4.994 2.633 -3.044 1.00 0.00 N ATOM 283 CA GLN A 21 -5.978 3.379 -3.798 1.00 0.00 C ATOM 284 C GLN A 21 -7.361 3.039 -3.273 1.00 0.00 C ATOM 285 O GLN A 21 -7.798 1.886 -3.341 1.00 0.00 O ATOM 286 CB GLN A 21 -5.875 3.066 -5.290 1.00 0.00 C ATOM 287 CG GLN A 21 -4.655 3.684 -5.959 1.00 0.00 C ATOM 288 CD GLN A 21 -4.878 3.989 -7.431 1.00 0.00 C ATOM 289 OE1 GLN A 21 -5.922 3.663 -7.996 1.00 0.00 O ATOM 290 NE2 GLN A 21 -3.896 4.617 -8.064 1.00 0.00 N ATOM 0 H GLN A 21 -4.783 1.709 -3.420 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.793 4.446 -3.674 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.844 1.985 -5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.774 3.424 -5.791 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.389 4.604 -5.439 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.809 3.005 -5.858 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.046 4.871 -7.561 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.991 4.846 -9.053 1.00 0.00 H new ATOM 299 N SER A 22 -8.025 4.033 -2.713 1.00 0.00 N ATOM 300 CA SER A 22 -9.342 3.840 -2.139 1.00 0.00 C ATOM 301 C SER A 22 -10.390 3.823 -3.242 1.00 0.00 C ATOM 302 O SER A 22 -10.562 4.806 -3.967 1.00 0.00 O ATOM 303 CB SER A 22 -9.634 4.944 -1.123 1.00 0.00 C ATOM 304 OG SER A 22 -8.652 4.956 -0.097 1.00 0.00 O ATOM 0 H SER A 22 -7.671 4.987 -2.644 1.00 0.00 H new ATOM 0 HA SER A 22 -9.375 2.881 -1.621 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.654 5.911 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.621 4.791 -0.686 1.00 0.00 H new ATOM 0 HG SER A 22 -7.847 5.412 -0.420 1.00 0.00 H new ATOM 310 N MET A 23 -11.076 2.696 -3.376 1.00 0.00 N ATOM 311 CA MET A 23 -12.043 2.507 -4.450 1.00 0.00 C ATOM 312 C MET A 23 -13.371 3.184 -4.124 1.00 0.00 C ATOM 313 O MET A 23 -14.373 2.511 -3.872 1.00 0.00 O ATOM 314 CB MET A 23 -12.263 1.015 -4.713 1.00 0.00 C ATOM 315 CG MET A 23 -11.773 0.555 -6.077 1.00 0.00 C ATOM 316 SD MET A 23 -10.025 0.912 -6.354 1.00 0.00 S ATOM 317 CE MET A 23 -9.264 -0.502 -5.564 1.00 0.00 C ATOM 0 H MET A 23 -10.980 1.895 -2.752 1.00 0.00 H new ATOM 0 HA MET A 23 -11.638 2.970 -5.350 1.00 0.00 H new ATOM 0 HB2 MET A 23 -11.752 0.440 -3.941 1.00 0.00 H new ATOM 0 HB3 MET A 23 -13.326 0.793 -4.625 1.00 0.00 H new ATOM 0 HG2 MET A 23 -11.939 -0.518 -6.174 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.365 1.041 -6.853 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.337 -0.194 -5.081 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.944 -0.911 -4.816 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.047 -1.264 -6.313 1.00 0.00 H new ATOM 327 N SER A 24 -13.350 4.515 -4.128 1.00 0.00 N ATOM 328 CA SER A 24 -14.540 5.339 -3.919 1.00 0.00 C ATOM 329 C SER A 24 -15.377 4.842 -2.733 1.00 0.00 C ATOM 330 O SER A 24 -14.971 4.986 -1.573 1.00 0.00 O ATOM 331 CB SER A 24 -15.371 5.387 -5.208 1.00 0.00 C ATOM 332 OG SER A 24 -14.552 5.163 -6.347 1.00 0.00 O ATOM 0 H SER A 24 -12.499 5.057 -4.278 1.00 0.00 H new ATOM 0 HA SER A 24 -14.217 6.350 -3.671 1.00 0.00 H new ATOM 0 HB2 SER A 24 -16.158 4.634 -5.167 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.862 6.356 -5.293 1.00 0.00 H new ATOM 0 HG SER A 24 -15.102 5.196 -7.157 1.00 0.00 H new ATOM 338 N GLY A 25 -16.522 4.234 -3.019 1.00 0.00 N ATOM 339 CA GLY A 25 -17.392 3.761 -1.965 1.00 0.00 C ATOM 340 C GLY A 25 -17.775 2.308 -2.139 1.00 0.00 C ATOM 341 O GLY A 25 -18.863 1.895 -1.734 1.00 0.00 O ATOM 0 H GLY A 25 -16.862 4.061 -3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.896 3.890 -1.003 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -18.295 4.371 -1.942 1.00 0.00 H new ATOM 345 N SER A 26 -16.894 1.525 -2.749 1.00 0.00 N ATOM 346 CA SER A 26 -17.138 0.099 -2.925 1.00 0.00 C ATOM 347 C SER A 26 -16.671 -0.686 -1.702 1.00 0.00 C ATOM 348 O SER A 26 -16.840 -1.906 -1.634 1.00 0.00 O ATOM 349 CB SER A 26 -16.423 -0.410 -4.181 1.00 0.00 C ATOM 350 OG SER A 26 -16.196 0.647 -5.099 1.00 0.00 O ATOM 0 H SER A 26 -16.006 1.852 -3.129 1.00 0.00 H new ATOM 0 HA SER A 26 -18.211 -0.052 -3.042 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.473 -0.866 -3.903 1.00 0.00 H new ATOM 0 HB3 SER A 26 -17.023 -1.187 -4.656 1.00 0.00 H new ATOM 0 HG SER A 26 -15.463 1.210 -4.774 1.00 0.00 H new ATOM 356 N ALA A 27 -16.085 0.029 -0.740 1.00 0.00 N ATOM 357 CA ALA A 27 -15.576 -0.575 0.491 1.00 0.00 C ATOM 358 C ALA A 27 -14.458 -1.567 0.186 1.00 0.00 C ATOM 359 O ALA A 27 -14.306 -2.586 0.859 1.00 0.00 O ATOM 360 CB ALA A 27 -16.697 -1.242 1.278 1.00 0.00 C ATOM 0 H ALA A 27 -15.951 1.039 -0.792 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.162 0.221 1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -16.290 -1.683 2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -17.450 -0.499 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.154 -2.023 0.670 1.00 0.00 H new ATOM 366 N SER A 28 -13.688 -1.261 -0.845 1.00 0.00 N ATOM 367 CA SER A 28 -12.558 -2.088 -1.237 1.00 0.00 C ATOM 368 C SER A 28 -11.360 -1.198 -1.544 1.00 0.00 C ATOM 369 O SER A 28 -11.525 -0.015 -1.847 1.00 0.00 O ATOM 370 CB SER A 28 -12.922 -2.940 -2.456 1.00 0.00 C ATOM 371 OG SER A 28 -14.318 -2.896 -2.713 1.00 0.00 O ATOM 0 H SER A 28 -13.827 -0.438 -1.431 1.00 0.00 H new ATOM 0 HA SER A 28 -12.301 -2.759 -0.418 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.377 -2.582 -3.329 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.613 -3.972 -2.288 1.00 0.00 H new ATOM 0 HG SER A 28 -14.524 -3.447 -3.497 1.00 0.00 H new ATOM 377 N LEU A 29 -10.159 -1.749 -1.452 1.00 0.00 N ATOM 378 CA LEU A 29 -8.953 -0.975 -1.699 1.00 0.00 C ATOM 379 C LEU A 29 -7.804 -1.884 -2.109 1.00 0.00 C ATOM 380 O LEU A 29 -7.859 -3.097 -1.911 1.00 0.00 O ATOM 381 CB LEU A 29 -8.574 -0.156 -0.457 1.00 0.00 C ATOM 382 CG LEU A 29 -8.220 -0.964 0.797 1.00 0.00 C ATOM 383 CD1 LEU A 29 -7.205 -0.213 1.640 1.00 0.00 C ATOM 384 CD2 LEU A 29 -9.466 -1.260 1.616 1.00 0.00 C ATOM 0 H LEU A 29 -9.994 -2.726 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.153 -0.286 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -7.724 0.477 -0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -9.405 0.507 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.783 -1.911 0.481 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -6.964 -0.799 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.299 -0.047 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.623 0.747 1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -9.192 -1.834 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.932 -0.323 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.169 -1.835 1.014 1.00 0.00 H new ATOM 396 N GLY A 30 -6.774 -1.287 -2.687 1.00 0.00 N ATOM 397 CA GLY A 30 -5.615 -2.037 -3.112 1.00 0.00 C ATOM 398 C GLY A 30 -4.353 -1.259 -2.848 1.00 0.00 C ATOM 399 O GLY A 30 -4.322 -0.048 -3.048 1.00 0.00 O ATOM 0 H GLY A 30 -6.722 -0.285 -2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.578 -2.990 -2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.692 -2.265 -4.175 1.00 0.00 H new ATOM 403 N CYS A 31 -3.316 -1.939 -2.407 1.00 0.00 N ATOM 404 CA CYS A 31 -2.098 -1.271 -1.993 1.00 0.00 C ATOM 405 C CYS A 31 -0.914 -1.744 -2.824 1.00 0.00 C ATOM 406 O CYS A 31 -0.537 -2.913 -2.781 1.00 0.00 O ATOM 407 CB CYS A 31 -1.836 -1.536 -0.512 1.00 0.00 C ATOM 408 SG CYS A 31 -1.943 -0.064 0.556 1.00 0.00 S ATOM 0 H CYS A 31 -3.291 -2.955 -2.325 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.222 -0.199 -2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.552 -2.278 -0.158 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.844 -1.974 -0.405 1.00 0.00 H new ATOM 413 N VAL A 32 -0.344 -0.834 -3.595 1.00 0.00 N ATOM 414 CA VAL A 32 0.857 -1.132 -4.362 1.00 0.00 C ATOM 415 C VAL A 32 2.087 -0.808 -3.525 1.00 0.00 C ATOM 416 O VAL A 32 2.011 0.016 -2.610 1.00 0.00 O ATOM 417 CB VAL A 32 0.909 -0.353 -5.697 1.00 0.00 C ATOM 418 CG1 VAL A 32 0.504 -1.254 -6.853 1.00 0.00 C ATOM 419 CG2 VAL A 32 0.019 0.881 -5.653 1.00 0.00 C ATOM 0 H VAL A 32 -0.692 0.118 -3.708 1.00 0.00 H new ATOM 0 HA VAL A 32 0.838 -2.194 -4.608 1.00 0.00 H new ATOM 0 HB VAL A 32 1.936 -0.022 -5.850 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.546 -0.691 -7.785 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.187 -2.102 -6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.512 -1.616 -6.693 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.078 1.406 -6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.012 0.580 -5.468 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.353 1.542 -4.853 1.00 0.00 H new ATOM 429 N VAL A 33 3.205 -1.455 -3.823 1.00 0.00 N ATOM 430 CA VAL A 33 4.402 -1.312 -3.003 1.00 0.00 C ATOM 431 C VAL A 33 4.937 0.125 -3.027 1.00 0.00 C ATOM 432 O VAL A 33 5.187 0.700 -4.089 1.00 0.00 O ATOM 433 CB VAL A 33 5.512 -2.310 -3.424 1.00 0.00 C ATOM 434 CG1 VAL A 33 6.021 -2.029 -4.830 1.00 0.00 C ATOM 435 CG2 VAL A 33 6.659 -2.292 -2.424 1.00 0.00 C ATOM 0 H VAL A 33 3.309 -2.081 -4.622 1.00 0.00 H new ATOM 0 HA VAL A 33 4.109 -1.547 -1.980 1.00 0.00 H new ATOM 0 HB VAL A 33 5.070 -3.306 -3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.797 -2.750 -5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.197 -2.115 -5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.433 -1.021 -4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.427 -2.999 -2.738 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.086 -1.290 -2.378 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.287 -2.574 -1.439 1.00 0.00 H new ATOM 445 N GLY A 34 5.082 0.702 -1.842 1.00 0.00 N ATOM 446 CA GLY A 34 5.605 2.047 -1.721 1.00 0.00 C ATOM 447 C GLY A 34 7.052 2.043 -1.288 1.00 0.00 C ATOM 448 O GLY A 34 7.368 2.337 -0.136 1.00 0.00 O ATOM 0 H GLY A 34 4.844 0.257 -0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.512 2.562 -2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.010 2.606 -0.999 1.00 0.00 H new ATOM 452 N VAL A 35 7.931 1.683 -2.208 1.00 0.00 N ATOM 453 CA VAL A 35 9.358 1.645 -1.924 1.00 0.00 C ATOM 454 C VAL A 35 9.939 3.053 -1.956 1.00 0.00 C ATOM 455 O VAL A 35 9.276 3.990 -2.404 1.00 0.00 O ATOM 456 CB VAL A 35 10.117 0.747 -2.923 1.00 0.00 C ATOM 457 CG1 VAL A 35 10.167 -0.686 -2.415 1.00 0.00 C ATOM 458 CG2 VAL A 35 9.475 0.806 -4.302 1.00 0.00 C ATOM 0 H VAL A 35 7.682 1.412 -3.159 1.00 0.00 H new ATOM 0 HA VAL A 35 9.482 1.220 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 35 11.138 1.119 -3.011 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.706 -1.307 -3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.679 -0.713 -1.453 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.152 -1.066 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.028 0.165 -4.988 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.442 0.463 -4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 35 9.494 1.832 -4.669 1.00 0.00 H new ATOM 468 N ILE A 36 11.169 3.205 -1.488 1.00 0.00 N ATOM 469 CA ILE A 36 11.798 4.518 -1.421 1.00 0.00 C ATOM 470 C ILE A 36 11.898 5.155 -2.807 1.00 0.00 C ATOM 471 O ILE A 36 12.305 4.511 -3.780 1.00 0.00 O ATOM 472 CB ILE A 36 13.203 4.457 -0.771 1.00 0.00 C ATOM 473 CG1 ILE A 36 14.161 3.600 -1.603 1.00 0.00 C ATOM 474 CG2 ILE A 36 13.110 3.914 0.647 1.00 0.00 C ATOM 475 CD1 ILE A 36 15.485 4.275 -1.887 1.00 0.00 C ATOM 0 H ILE A 36 11.751 2.439 -1.150 1.00 0.00 H new ATOM 0 HA ILE A 36 11.159 5.137 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 36 13.599 5.472 -0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 36 14.346 2.663 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.681 3.347 -2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 36 14.106 3.878 1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.471 4.564 1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 36 12.686 2.910 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 36 16.113 3.610 -2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.311 5.199 -2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.986 4.503 -0.946 1.00 0.00 H new ATOM 487 N GLY A 37 11.494 6.415 -2.896 1.00 0.00 N ATOM 488 CA GLY A 37 11.578 7.134 -4.151 1.00 0.00 C ATOM 489 C GLY A 37 10.380 6.897 -5.052 1.00 0.00 C ATOM 490 O GLY A 37 10.472 7.066 -6.269 1.00 0.00 O ATOM 0 H GLY A 37 11.109 6.953 -2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.666 8.201 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 37 12.485 6.834 -4.675 1.00 0.00 H new ATOM 494 N SER A 38 9.255 6.520 -4.463 1.00 0.00 N ATOM 495 CA SER A 38 8.043 6.284 -5.235 1.00 0.00 C ATOM 496 C SER A 38 7.145 7.518 -5.231 1.00 0.00 C ATOM 497 O SER A 38 7.138 8.296 -4.275 1.00 0.00 O ATOM 498 CB SER A 38 7.283 5.076 -4.681 1.00 0.00 C ATOM 499 OG SER A 38 8.081 3.907 -4.741 1.00 0.00 O ATOM 0 H SER A 38 9.155 6.371 -3.459 1.00 0.00 H new ATOM 0 HA SER A 38 8.334 6.075 -6.265 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.989 5.268 -3.649 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.366 4.925 -5.251 1.00 0.00 H new ATOM 0 HG SER A 38 8.455 3.721 -3.855 1.00 0.00 H new ATOM 505 N GLN A 39 6.404 7.689 -6.316 1.00 0.00 N ATOM 506 CA GLN A 39 5.470 8.793 -6.461 1.00 0.00 C ATOM 507 C GLN A 39 4.040 8.276 -6.372 1.00 0.00 C ATOM 508 O GLN A 39 3.493 7.756 -7.346 1.00 0.00 O ATOM 509 CB GLN A 39 5.690 9.495 -7.803 1.00 0.00 C ATOM 510 CG GLN A 39 5.344 10.974 -7.782 1.00 0.00 C ATOM 511 CD GLN A 39 6.541 11.844 -7.455 1.00 0.00 C ATOM 512 OE1 GLN A 39 6.433 12.805 -6.695 1.00 0.00 O ATOM 513 NE2 GLN A 39 7.692 11.513 -8.024 1.00 0.00 N ATOM 0 H GLN A 39 6.434 7.064 -7.122 1.00 0.00 H new ATOM 0 HA GLN A 39 5.640 9.509 -5.657 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.733 9.379 -8.097 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.087 9.001 -8.565 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.942 11.264 -8.753 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.559 11.150 -7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.739 10.708 -8.649 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.530 12.063 -7.837 1.00 0.00 H new ATOM 522 N CYS A 40 3.437 8.411 -5.208 1.00 0.00 N ATOM 523 CA CYS A 40 2.106 7.877 -4.986 1.00 0.00 C ATOM 524 C CYS A 40 1.100 8.993 -4.738 1.00 0.00 C ATOM 525 O CYS A 40 1.171 9.703 -3.736 1.00 0.00 O ATOM 526 CB CYS A 40 2.124 6.897 -3.814 1.00 0.00 C ATOM 527 SG CYS A 40 2.951 5.317 -4.192 1.00 0.00 S ATOM 0 H CYS A 40 3.845 8.885 -4.402 1.00 0.00 H new ATOM 0 HA CYS A 40 1.795 7.345 -5.885 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.626 7.366 -2.968 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.098 6.695 -3.505 1.00 0.00 H new ATOM 532 N GLY A 41 0.169 9.150 -5.668 1.00 0.00 N ATOM 533 CA GLY A 41 -0.882 10.133 -5.514 1.00 0.00 C ATOM 534 C GLY A 41 -2.161 9.507 -5.005 1.00 0.00 C ATOM 535 O GLY A 41 -3.225 9.673 -5.601 1.00 0.00 O ATOM 0 H GLY A 41 0.124 8.610 -6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.556 10.909 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.070 10.618 -6.472 1.00 0.00 H new ATOM 539 N ALA A 42 -2.052 8.778 -3.903 1.00 0.00 N ATOM 540 CA ALA A 42 -3.184 8.067 -3.335 1.00 0.00 C ATOM 541 C ALA A 42 -3.034 7.968 -1.823 1.00 0.00 C ATOM 542 O ALA A 42 -2.109 8.547 -1.248 1.00 0.00 O ATOM 543 CB ALA A 42 -3.305 6.681 -3.956 1.00 0.00 C ATOM 0 H ALA A 42 -1.182 8.664 -3.382 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.096 8.621 -3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.158 6.160 -3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.449 6.776 -5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.395 6.114 -3.760 1.00 0.00 H new ATOM 549 N SER A 43 -3.933 7.232 -1.190 1.00 0.00 N ATOM 550 CA SER A 43 -3.913 7.069 0.254 1.00 0.00 C ATOM 551 C SER A 43 -2.798 6.115 0.687 1.00 0.00 C ATOM 552 O SER A 43 -3.003 4.904 0.783 1.00 0.00 O ATOM 553 CB SER A 43 -5.275 6.548 0.724 1.00 0.00 C ATOM 554 OG SER A 43 -6.068 6.136 -0.382 1.00 0.00 O ATOM 0 H SER A 43 -4.691 6.735 -1.658 1.00 0.00 H new ATOM 0 HA SER A 43 -3.715 8.037 0.713 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.133 5.711 1.407 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.796 7.328 1.280 1.00 0.00 H new ATOM 0 HG SER A 43 -5.655 5.356 -0.808 1.00 0.00 H new ATOM 560 N VAL A 44 -1.611 6.659 0.915 1.00 0.00 N ATOM 561 CA VAL A 44 -0.494 5.869 1.413 1.00 0.00 C ATOM 562 C VAL A 44 -0.788 5.396 2.834 1.00 0.00 C ATOM 563 O VAL A 44 -1.149 6.195 3.701 1.00 0.00 O ATOM 564 CB VAL A 44 0.829 6.667 1.397 1.00 0.00 C ATOM 565 CG1 VAL A 44 2.018 5.741 1.611 1.00 0.00 C ATOM 566 CG2 VAL A 44 0.974 7.438 0.091 1.00 0.00 C ATOM 0 H VAL A 44 -1.397 7.645 0.763 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.375 5.011 0.751 1.00 0.00 H new ATOM 0 HB VAL A 44 0.806 7.385 2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.940 6.323 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.920 5.240 2.574 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.047 4.996 0.816 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.912 7.994 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.973 6.740 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.141 8.133 -0.016 1.00 0.00 H new ATOM 576 N LYS A 45 -0.657 4.102 3.063 1.00 0.00 N ATOM 577 CA LYS A 45 -0.985 3.525 4.352 1.00 0.00 C ATOM 578 C LYS A 45 0.091 2.545 4.799 1.00 0.00 C ATOM 579 O LYS A 45 0.991 2.193 4.031 1.00 0.00 O ATOM 580 CB LYS A 45 -2.341 2.823 4.287 1.00 0.00 C ATOM 581 CG LYS A 45 -3.500 3.687 4.754 1.00 0.00 C ATOM 582 CD LYS A 45 -4.659 3.641 3.772 1.00 0.00 C ATOM 583 CE LYS A 45 -5.909 3.067 4.418 1.00 0.00 C ATOM 584 NZ LYS A 45 -6.419 3.937 5.509 1.00 0.00 N ATOM 0 H LYS A 45 -0.325 3.430 2.371 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.037 4.332 5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.527 2.505 3.261 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.303 1.921 4.898 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.837 3.347 5.733 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.163 4.717 4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.866 4.646 3.404 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.383 3.036 2.909 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.684 2.942 3.661 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.689 2.076 4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.487 3.387 6.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.767 4.735 5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.360 4.299 5.253 1.00 0.00 H new ATOM 598 N CYS A 46 -0.018 2.105 6.040 1.00 0.00 N ATOM 599 CA CYS A 46 0.943 1.179 6.610 1.00 0.00 C ATOM 600 C CYS A 46 0.298 -0.180 6.832 1.00 0.00 C ATOM 601 O CYS A 46 -0.559 -0.338 7.703 1.00 0.00 O ATOM 602 CB CYS A 46 1.476 1.724 7.933 1.00 0.00 C ATOM 603 SG CYS A 46 2.448 3.252 7.764 1.00 0.00 S ATOM 0 H CYS A 46 -0.768 2.377 6.676 1.00 0.00 H new ATOM 0 HA CYS A 46 1.773 1.065 5.913 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.636 1.912 8.602 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.095 0.962 8.405 1.00 0.00 H new ATOM 608 N CYS A 47 0.698 -1.157 6.041 1.00 0.00 N ATOM 609 CA CYS A 47 0.127 -2.487 6.153 1.00 0.00 C ATOM 610 C CYS A 47 1.164 -3.480 6.657 1.00 0.00 C ATOM 611 O CYS A 47 2.333 -3.432 6.271 1.00 0.00 O ATOM 612 CB CYS A 47 -0.437 -2.950 4.806 1.00 0.00 C ATOM 613 SG CYS A 47 -0.937 -1.600 3.684 1.00 0.00 S ATOM 0 H CYS A 47 1.411 -1.057 5.318 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.689 -2.442 6.875 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.313 -3.562 4.305 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.300 -3.590 4.990 1.00 0.00 H new ATOM 618 N LYS A 48 0.728 -4.367 7.539 1.00 0.00 N ATOM 619 CA LYS A 48 1.568 -5.450 8.018 1.00 0.00 C ATOM 620 C LYS A 48 1.172 -6.735 7.304 1.00 0.00 C ATOM 621 O LYS A 48 1.203 -7.822 7.874 1.00 0.00 O ATOM 622 CB LYS A 48 1.418 -5.611 9.534 1.00 0.00 C ATOM 623 CG LYS A 48 2.704 -6.009 10.241 1.00 0.00 C ATOM 624 CD LYS A 48 2.770 -5.426 11.643 1.00 0.00 C ATOM 625 CE LYS A 48 3.412 -6.400 12.622 1.00 0.00 C ATOM 626 NZ LYS A 48 4.731 -6.899 12.146 1.00 0.00 N ATOM 0 H LYS A 48 -0.210 -4.356 7.939 1.00 0.00 H new ATOM 0 HA LYS A 48 2.613 -5.223 7.805 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.059 -4.672 9.956 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.656 -6.364 9.736 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.770 -7.096 10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.561 -5.665 9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.340 -4.497 11.626 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.765 -5.177 11.982 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.539 -5.909 13.587 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.743 -7.246 12.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.224 -7.376 12.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.587 -7.572 11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.305 -6.099 11.811 1.00 0.00 H new ATOM 640 N ASP A 49 0.794 -6.587 6.041 1.00 0.00 N ATOM 641 CA ASP A 49 0.290 -7.703 5.258 1.00 0.00 C ATOM 642 C ASP A 49 1.422 -8.604 4.785 1.00 0.00 C ATOM 643 O ASP A 49 2.570 -8.171 4.666 1.00 0.00 O ATOM 644 CB ASP A 49 -0.504 -7.201 4.053 1.00 0.00 C ATOM 645 CG ASP A 49 -1.489 -8.238 3.548 1.00 0.00 C ATOM 646 OD1 ASP A 49 -1.088 -9.101 2.745 1.00 0.00 O ATOM 647 OD2 ASP A 49 -2.663 -8.197 3.971 1.00 0.00 O ATOM 0 H ASP A 49 0.828 -5.701 5.537 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.368 -8.284 5.904 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.042 -6.293 4.326 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.184 -6.934 3.251 1.00 0.00 H new ATOM 652 N ASP A 50 1.079 -9.850 4.496 1.00 0.00 N ATOM 653 CA ASP A 50 2.047 -10.843 4.053 1.00 0.00 C ATOM 654 C ASP A 50 2.221 -10.788 2.537 1.00 0.00 C ATOM 655 O ASP A 50 3.200 -11.301 1.989 1.00 0.00 O ATOM 656 CB ASP A 50 1.582 -12.236 4.486 1.00 0.00 C ATOM 657 CG ASP A 50 2.577 -13.323 4.143 1.00 0.00 C ATOM 658 OD1 ASP A 50 3.728 -13.263 4.631 1.00 0.00 O ATOM 659 OD2 ASP A 50 2.208 -14.251 3.394 1.00 0.00 O ATOM 0 H ASP A 50 0.124 -10.201 4.562 1.00 0.00 H new ATOM 0 HA ASP A 50 3.012 -10.627 4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.407 -12.237 5.562 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.628 -12.460 4.008 1.00 0.00 H new ATOM 664 N VAL A 51 1.268 -10.135 1.869 1.00 0.00 N ATOM 665 CA VAL A 51 1.266 -10.016 0.414 1.00 0.00 C ATOM 666 C VAL A 51 1.196 -11.400 -0.231 1.00 0.00 C ATOM 667 O VAL A 51 1.944 -11.725 -1.154 1.00 0.00 O ATOM 668 CB VAL A 51 2.495 -9.236 -0.124 1.00 0.00 C ATOM 669 CG1 VAL A 51 2.251 -8.754 -1.548 1.00 0.00 C ATOM 670 CG2 VAL A 51 2.831 -8.055 0.780 1.00 0.00 C ATOM 0 H VAL A 51 0.478 -9.675 2.323 1.00 0.00 H new ATOM 0 HA VAL A 51 0.380 -9.442 0.144 1.00 0.00 H new ATOM 0 HB VAL A 51 3.344 -9.919 -0.129 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.126 -8.210 -1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.069 -9.611 -2.196 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.383 -8.095 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.696 -7.525 0.380 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.979 -7.377 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.059 -8.417 1.782 1.00 0.00 H new ATOM 680 N THR A 52 0.294 -12.221 0.282 1.00 0.00 N ATOM 681 CA THR A 52 0.066 -13.548 -0.269 1.00 0.00 C ATOM 682 C THR A 52 -1.060 -13.516 -1.293 1.00 0.00 C ATOM 683 O THR A 52 -1.469 -14.550 -1.822 1.00 0.00 O ATOM 684 CB THR A 52 -0.272 -14.556 0.843 1.00 0.00 C ATOM 685 OG1 THR A 52 -0.149 -13.919 2.124 1.00 0.00 O ATOM 686 CG2 THR A 52 0.655 -15.761 0.780 1.00 0.00 C ATOM 0 H THR A 52 -0.295 -11.991 1.083 1.00 0.00 H new ATOM 0 HA THR A 52 0.985 -13.866 -0.760 1.00 0.00 H new ATOM 0 HB THR A 52 -1.296 -14.900 0.700 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.692 -14.193 2.546 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.397 -16.460 1.576 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.546 -16.254 -0.186 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.687 -15.433 0.905 1.00 0.00 H new ATOM 694 N ASN A 53 -1.559 -12.321 -1.569 1.00 0.00 N ATOM 695 CA ASN A 53 -2.614 -12.148 -2.556 1.00 0.00 C ATOM 696 C ASN A 53 -2.018 -12.161 -3.954 1.00 0.00 C ATOM 697 O ASN A 53 -0.902 -11.682 -4.166 1.00 0.00 O ATOM 698 CB ASN A 53 -3.370 -10.836 -2.320 1.00 0.00 C ATOM 699 CG ASN A 53 -4.801 -10.882 -2.827 1.00 0.00 C ATOM 700 OD1 ASN A 53 -5.149 -11.680 -3.700 1.00 0.00 O ATOM 701 ND2 ASN A 53 -5.643 -10.013 -2.294 1.00 0.00 N ATOM 0 H ASN A 53 -1.251 -11.457 -1.124 1.00 0.00 H new ATOM 0 HA ASN A 53 -3.320 -12.973 -2.457 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.374 -10.611 -1.253 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -2.840 -10.022 -2.815 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -6.615 -9.989 -2.603 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -5.321 -9.367 -1.573 1.00 0.00 H new ATOM 708 N THR A 54 -2.754 -12.714 -4.898 1.00 0.00 N ATOM 709 CA THR A 54 -2.292 -12.812 -6.268 1.00 0.00 C ATOM 710 C THR A 54 -2.472 -11.483 -6.992 1.00 0.00 C ATOM 711 O THR A 54 -3.596 -11.064 -7.278 1.00 0.00 O ATOM 712 CB THR A 54 -3.055 -13.916 -7.016 1.00 0.00 C ATOM 713 OG1 THR A 54 -4.254 -14.244 -6.298 1.00 0.00 O ATOM 714 CG2 THR A 54 -2.191 -15.158 -7.160 1.00 0.00 C ATOM 0 H THR A 54 -3.682 -13.105 -4.739 1.00 0.00 H new ATOM 0 HA THR A 54 -1.231 -13.063 -6.249 1.00 0.00 H new ATOM 0 HB THR A 54 -3.311 -13.551 -8.011 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.740 -14.947 -6.777 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.748 -15.929 -7.692 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.289 -14.911 -7.719 1.00 0.00 H new ATOM 0 HG23 THR A 54 -1.916 -15.526 -6.172 1.00 0.00 H new ATOM 722 N GLY A 55 -1.365 -10.814 -7.266 1.00 0.00 N ATOM 723 CA GLY A 55 -1.421 -9.536 -7.940 1.00 0.00 C ATOM 724 C GLY A 55 -0.214 -9.310 -8.819 1.00 0.00 C ATOM 725 O GLY A 55 0.919 -9.523 -8.392 1.00 0.00 O ATOM 0 H GLY A 55 -0.425 -11.134 -7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.326 -9.484 -8.545 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.486 -8.738 -7.200 1.00 0.00 H new ATOM 729 N ASN A 56 -0.456 -8.896 -10.050 1.00 0.00 N ATOM 730 CA ASN A 56 0.625 -8.605 -10.978 1.00 0.00 C ATOM 731 C ASN A 56 1.201 -7.225 -10.707 1.00 0.00 C ATOM 732 O ASN A 56 2.416 -7.051 -10.613 1.00 0.00 O ATOM 733 CB ASN A 56 0.131 -8.688 -12.422 1.00 0.00 C ATOM 734 CG ASN A 56 1.268 -8.910 -13.396 1.00 0.00 C ATOM 735 OD1 ASN A 56 1.847 -7.959 -13.924 1.00 0.00 O ATOM 736 ND2 ASN A 56 1.604 -10.165 -13.629 1.00 0.00 N ATOM 0 H ASN A 56 -1.391 -8.753 -10.431 1.00 0.00 H new ATOM 0 HA ASN A 56 1.408 -9.349 -10.832 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.589 -9.501 -12.513 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.393 -7.768 -12.680 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.370 -10.378 -14.268 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.098 -10.922 -13.170 1.00 0.00 H new ATOM 743 N SER A 57 0.323 -6.247 -10.583 1.00 0.00 N ATOM 744 CA SER A 57 0.731 -4.891 -10.264 1.00 0.00 C ATOM 745 C SER A 57 -0.016 -4.413 -9.031 1.00 0.00 C ATOM 746 O SER A 57 0.580 -4.157 -7.986 1.00 0.00 O ATOM 747 CB SER A 57 0.451 -3.967 -11.449 1.00 0.00 C ATOM 748 OG SER A 57 -0.310 -4.639 -12.442 1.00 0.00 O ATOM 0 H SER A 57 -0.683 -6.368 -10.699 1.00 0.00 H new ATOM 0 HA SER A 57 1.801 -4.874 -10.059 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.088 -3.083 -11.108 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.392 -3.621 -11.877 1.00 0.00 H new ATOM 0 HG SER A 57 -0.480 -4.031 -13.191 1.00 0.00 H new ATOM 754 N PHE A 58 -1.331 -4.332 -9.159 1.00 0.00 N ATOM 755 CA PHE A 58 -2.184 -3.919 -8.064 1.00 0.00 C ATOM 756 C PHE A 58 -2.506 -5.106 -7.165 1.00 0.00 C ATOM 757 O PHE A 58 -3.159 -6.061 -7.592 1.00 0.00 O ATOM 758 CB PHE A 58 -3.471 -3.308 -8.611 1.00 0.00 C ATOM 759 CG PHE A 58 -3.950 -2.124 -7.833 1.00 0.00 C ATOM 760 CD1 PHE A 58 -3.180 -0.977 -7.756 1.00 0.00 C ATOM 761 CD2 PHE A 58 -5.170 -2.157 -7.180 1.00 0.00 C ATOM 762 CE1 PHE A 58 -3.619 0.118 -7.045 1.00 0.00 C ATOM 763 CE2 PHE A 58 -5.614 -1.064 -6.466 1.00 0.00 C ATOM 764 CZ PHE A 58 -4.837 0.075 -6.397 1.00 0.00 C ATOM 0 H PHE A 58 -1.831 -4.550 -10.021 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.658 -3.170 -7.472 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.310 -3.010 -9.647 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.251 -4.069 -8.615 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.225 -0.940 -8.259 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.780 -3.047 -7.230 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.011 1.009 -6.995 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.568 -1.099 -5.961 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.182 0.931 -5.837 1.00 0.00 H new ATOM 774 N LEU A 59 -2.024 -5.055 -5.934 1.00 0.00 N ATOM 775 CA LEU A 59 -2.293 -6.103 -4.964 1.00 0.00 C ATOM 776 C LEU A 59 -3.302 -5.616 -3.936 1.00 0.00 C ATOM 777 O LEU A 59 -3.141 -4.544 -3.358 1.00 0.00 O ATOM 778 CB LEU A 59 -1.002 -6.534 -4.264 1.00 0.00 C ATOM 779 CG LEU A 59 0.253 -6.512 -5.139 1.00 0.00 C ATOM 780 CD1 LEU A 59 1.242 -5.477 -4.630 1.00 0.00 C ATOM 781 CD2 LEU A 59 0.897 -7.888 -5.180 1.00 0.00 C ATOM 0 H LEU A 59 -1.442 -4.295 -5.582 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.706 -6.963 -5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.838 -5.882 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.138 -7.544 -3.877 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.040 -6.237 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.128 -5.477 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.779 -4.490 -4.652 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.529 -5.721 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.788 -7.854 -5.807 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.175 -8.190 -4.170 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.190 -8.608 -5.593 1.00 0.00 H new ATOM 793 N ILE A 60 -4.348 -6.391 -3.720 1.00 0.00 N ATOM 794 CA ILE A 60 -5.358 -6.029 -2.740 1.00 0.00 C ATOM 795 C ILE A 60 -4.934 -6.515 -1.357 1.00 0.00 C ATOM 796 O ILE A 60 -4.662 -7.699 -1.161 1.00 0.00 O ATOM 797 CB ILE A 60 -6.749 -6.601 -3.118 1.00 0.00 C ATOM 798 CG1 ILE A 60 -7.416 -5.714 -4.172 1.00 0.00 C ATOM 799 CG2 ILE A 60 -7.650 -6.728 -1.895 1.00 0.00 C ATOM 800 CD1 ILE A 60 -7.077 -6.100 -5.595 1.00 0.00 C ATOM 0 H ILE A 60 -4.521 -7.271 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.446 -4.943 -2.726 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.599 -7.599 -3.530 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.497 -5.759 -4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.117 -4.679 -4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.617 -7.132 -2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.187 -7.397 -1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.792 -5.746 -1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -7.586 -5.427 -6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.000 -6.027 -5.745 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.401 -7.124 -5.781 1.00 0.00 H new ATOM 812 N ILE A 61 -4.855 -5.590 -0.417 1.00 0.00 N ATOM 813 CA ILE A 61 -4.437 -5.904 0.937 1.00 0.00 C ATOM 814 C ILE A 61 -5.613 -5.752 1.889 1.00 0.00 C ATOM 815 O ILE A 61 -6.380 -4.792 1.790 1.00 0.00 O ATOM 816 CB ILE A 61 -3.256 -5.000 1.373 1.00 0.00 C ATOM 817 CG1 ILE A 61 -1.935 -5.610 0.898 1.00 0.00 C ATOM 818 CG2 ILE A 61 -3.229 -4.792 2.883 1.00 0.00 C ATOM 819 CD1 ILE A 61 -1.219 -4.765 -0.128 1.00 0.00 C ATOM 0 H ILE A 61 -5.077 -4.606 -0.569 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.093 -6.938 0.966 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.393 -4.022 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.281 -5.756 1.758 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.130 -6.595 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.386 -4.153 3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.158 -4.318 3.202 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.124 -5.756 3.381 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.291 -5.256 -0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.855 -4.640 -1.004 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.993 -3.788 0.299 1.00 0.00 H new ATOM 831 N ASN A 62 -5.764 -6.721 2.785 1.00 0.00 N ATOM 832 CA ASN A 62 -6.862 -6.718 3.742 1.00 0.00 C ATOM 833 C ASN A 62 -6.803 -5.491 4.646 1.00 0.00 C ATOM 834 O ASN A 62 -5.737 -5.115 5.144 1.00 0.00 O ATOM 835 CB ASN A 62 -6.833 -7.992 4.595 1.00 0.00 C ATOM 836 CG ASN A 62 -8.164 -8.265 5.272 1.00 0.00 C ATOM 837 OD1 ASN A 62 -9.110 -7.486 5.147 1.00 0.00 O ATOM 838 ND2 ASN A 62 -8.247 -9.364 6.004 1.00 0.00 N ATOM 0 H ASN A 62 -5.137 -7.521 2.868 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.794 -6.685 3.177 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.567 -8.841 3.966 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.055 -7.901 5.353 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.116 -9.590 6.488 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.442 -9.985 6.084 1.00 0.00 H new ATOM 845 N ALA A 63 -7.963 -4.887 4.877 1.00 0.00 N ATOM 846 CA ALA A 63 -8.068 -3.702 5.719 1.00 0.00 C ATOM 847 C ALA A 63 -7.811 -4.051 7.181 1.00 0.00 C ATOM 848 O ALA A 63 -7.694 -3.173 8.031 1.00 0.00 O ATOM 849 CB ALA A 63 -9.439 -3.061 5.558 1.00 0.00 C ATOM 0 H ALA A 63 -8.852 -5.203 4.489 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.308 -2.988 5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.504 -2.177 6.192 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.586 -2.772 4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.210 -3.774 5.849 1.00 0.00 H new ATOM 855 N ALA A 64 -7.743 -5.343 7.469 1.00 0.00 N ATOM 856 CA ALA A 64 -7.413 -5.814 8.805 1.00 0.00 C ATOM 857 C ALA A 64 -5.901 -5.883 8.987 1.00 0.00 C ATOM 858 O ALA A 64 -5.405 -6.047 10.096 1.00 0.00 O ATOM 859 CB ALA A 64 -8.040 -7.176 9.053 1.00 0.00 C ATOM 0 H ALA A 64 -7.913 -6.086 6.791 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.816 -5.108 9.532 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.785 -7.517 10.057 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.123 -7.100 8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.662 -7.889 8.321 1.00 0.00 H new ATOM 865 N ASN A 65 -5.171 -5.750 7.888 1.00 0.00 N ATOM 866 CA ASN A 65 -3.716 -5.829 7.926 1.00 0.00 C ATOM 867 C ASN A 65 -3.094 -4.457 7.722 1.00 0.00 C ATOM 868 O ASN A 65 -2.032 -4.156 8.267 1.00 0.00 O ATOM 869 CB ASN A 65 -3.209 -6.799 6.865 1.00 0.00 C ATOM 870 CG ASN A 65 -2.705 -8.096 7.465 1.00 0.00 C ATOM 871 OD1 ASN A 65 -2.557 -8.218 8.680 1.00 0.00 O ATOM 872 ND2 ASN A 65 -2.451 -9.077 6.614 1.00 0.00 N ATOM 0 H ASN A 65 -5.561 -5.587 6.960 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.422 -6.197 8.909 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.012 -7.015 6.160 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.406 -6.327 6.299 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.119 -9.978 6.958 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.588 -8.932 5.614 1.00 0.00 H new ATOM 879 N CYS A 66 -3.748 -3.633 6.922 1.00 0.00 N ATOM 880 CA CYS A 66 -3.315 -2.259 6.732 1.00 0.00 C ATOM 881 C CYS A 66 -4.071 -1.346 7.689 1.00 0.00 C ATOM 882 O CYS A 66 -5.294 -1.423 7.788 1.00 0.00 O ATOM 883 CB CYS A 66 -3.534 -1.822 5.283 1.00 0.00 C ATOM 884 SG CYS A 66 -2.352 -0.559 4.710 1.00 0.00 S ATOM 0 H CYS A 66 -4.581 -3.891 6.393 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.249 -2.190 6.947 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.461 -2.695 4.635 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.547 -1.432 5.180 1.00 0.00 H new ATOM 889 N VAL A 67 -3.346 -0.489 8.399 1.00 0.00 N ATOM 890 CA VAL A 67 -3.954 0.349 9.425 1.00 0.00 C ATOM 891 C VAL A 67 -4.475 1.663 8.851 1.00 0.00 C ATOM 892 O VAL A 67 -4.224 1.998 7.689 1.00 0.00 O ATOM 893 CB VAL A 67 -2.969 0.654 10.577 1.00 0.00 C ATOM 894 CG1 VAL A 67 -2.605 -0.621 11.317 1.00 0.00 C ATOM 895 CG2 VAL A 67 -1.721 1.356 10.062 1.00 0.00 C ATOM 0 H VAL A 67 -2.341 -0.357 8.284 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.795 -0.221 9.820 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.464 1.328 11.276 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.911 -0.388 12.124 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.507 -1.071 11.732 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.135 -1.321 10.626 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.047 1.558 10.895 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.219 0.718 9.335 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.002 2.296 9.587 1.00 0.00 H new ATOM 905 N ALA A 68 -5.198 2.398 9.679 1.00 0.00 N ATOM 906 CA ALA A 68 -5.750 3.683 9.295 1.00 0.00 C ATOM 907 C ALA A 68 -5.145 4.784 10.153 1.00 0.00 C ATOM 908 O ALA A 68 -4.410 4.450 11.105 1.00 0.00 O ATOM 909 CB ALA A 68 -7.266 3.667 9.435 1.00 0.00 C ATOM 910 OXT ALA A 68 -5.389 5.975 9.871 1.00 0.00 O ATOM 0 H ALA A 68 -5.418 2.120 10.635 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.504 3.879 8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.669 4.637 9.144 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.683 2.893 8.791 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.534 3.459 10.471 1.00 0.00 H new