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 28 SER OG : rot -150:sc= 0.0386 USER MOD Set 1.2: A 62 ASN : amide:sc= -0.27 K(o=1.4,f=-0.074) USER MOD Set 1.3: A 65 ASN : amide:sc= 1.63 K(o=1.4,f=-7.7!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 9 THR OG1 : rot -170:sc= -0.04 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.28) USER MOD Single : A 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 1.03 K(o=1,f=-0.017) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0684 USER MOD Single : A 23 MET CE :methyl -168:sc= -0.711 (180deg=-0.724) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 146:sc= 0.868 USER MOD Single : A 38 SER OG : rot 135:sc= 1.29 USER MOD Single : A 39 GLN : amide:sc= -0.33 K(o=-0.33,f=-2.7!) USER MOD Single : A 43 SER OG : rot 70:sc= 1.26 USER MOD Single : A 45 LYS NZ :NH3+ 155:sc= -0.0978 (180deg=-0.538) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= 1.27 (180deg=1.05) USER MOD Single : A 52 THR OG1 : rot -139:sc= 1.1 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0111 USER MOD Single : A 56 ASN : amide:sc= 0.406 K(o=0.41,f=-8.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 14 N ALA A 2 -0.380 14.171 -4.183 1.00 0.00 N ATOM 15 CA ALA A 2 0.532 13.059 -4.384 1.00 0.00 C ATOM 16 C ALA A 2 1.832 13.281 -3.627 1.00 0.00 C ATOM 17 O ALA A 2 2.584 14.212 -3.918 1.00 0.00 O ATOM 18 CB ALA A 2 0.812 12.861 -5.867 1.00 0.00 C ATOM 0 HA ALA A 2 0.058 12.158 -3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 2 1.497 12.024 -5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.122 12.652 -6.389 1.00 0.00 H new ATOM 0 HB3 ALA A 2 1.261 13.766 -6.276 1.00 0.00 H new ATOM 24 N THR A 3 2.086 12.430 -2.649 1.00 0.00 N ATOM 25 CA THR A 3 3.309 12.517 -1.872 1.00 0.00 C ATOM 26 C THR A 3 4.285 11.430 -2.302 1.00 0.00 C ATOM 27 O THR A 3 3.905 10.269 -2.462 1.00 0.00 O ATOM 28 CB THR A 3 3.032 12.385 -0.365 1.00 0.00 C ATOM 29 OG1 THR A 3 1.616 12.353 -0.126 1.00 0.00 O ATOM 30 CG2 THR A 3 3.652 13.545 0.400 1.00 0.00 C ATOM 0 H THR A 3 1.462 11.671 -2.374 1.00 0.00 H new ATOM 0 HA THR A 3 3.745 13.499 -2.057 1.00 0.00 H new ATOM 0 HB THR A 3 3.480 11.455 -0.015 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.448 12.267 0.836 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.444 13.432 1.464 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.730 13.552 0.240 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.227 14.484 0.045 1.00 0.00 H new ATOM 38 N THR A 4 5.531 11.807 -2.512 1.00 0.00 N ATOM 39 CA THR A 4 6.545 10.854 -2.906 1.00 0.00 C ATOM 40 C THR A 4 7.133 10.171 -1.681 1.00 0.00 C ATOM 41 O THR A 4 7.385 10.815 -0.662 1.00 0.00 O ATOM 42 CB THR A 4 7.671 11.534 -3.703 1.00 0.00 C ATOM 43 OG1 THR A 4 7.365 12.923 -3.896 1.00 0.00 O ATOM 44 CG2 THR A 4 7.860 10.860 -5.050 1.00 0.00 C ATOM 0 H THR A 4 5.864 12.766 -2.416 1.00 0.00 H new ATOM 0 HA THR A 4 6.069 10.110 -3.545 1.00 0.00 H new ATOM 0 HB THR A 4 8.597 11.442 -3.135 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.087 13.350 -4.403 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.661 11.357 -5.596 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.120 9.812 -4.899 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.935 10.926 -5.623 1.00 0.00 H new ATOM 52 N ILE A 5 7.327 8.868 -1.772 1.00 0.00 N ATOM 53 CA ILE A 5 7.929 8.120 -0.683 1.00 0.00 C ATOM 54 C ILE A 5 9.417 7.918 -0.949 1.00 0.00 C ATOM 55 O ILE A 5 9.802 7.192 -1.868 1.00 0.00 O ATOM 56 CB ILE A 5 7.240 6.752 -0.465 1.00 0.00 C ATOM 57 CG1 ILE A 5 6.604 6.243 -1.757 1.00 0.00 C ATOM 58 CG2 ILE A 5 6.185 6.855 0.627 1.00 0.00 C ATOM 59 CD1 ILE A 5 7.466 5.251 -2.493 1.00 0.00 C ATOM 0 H ILE A 5 7.077 8.307 -2.586 1.00 0.00 H new ATOM 0 HA ILE A 5 7.794 8.703 0.228 1.00 0.00 H new ATOM 0 HB ILE A 5 8.005 6.040 -0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.646 5.779 -1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.397 7.090 -2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.710 5.884 0.767 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.656 7.167 1.559 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.432 7.588 0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.956 4.929 -3.401 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.415 5.718 -2.756 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.651 4.387 -1.855 1.00 0.00 H new ATOM 71 N GLY A 6 10.245 8.601 -0.175 1.00 0.00 N ATOM 72 CA GLY A 6 11.679 8.484 -0.341 1.00 0.00 C ATOM 73 C GLY A 6 12.258 7.352 0.479 1.00 0.00 C ATOM 74 O GLY A 6 11.895 6.195 0.283 1.00 0.00 O ATOM 0 H GLY A 6 9.950 9.236 0.567 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.909 8.322 -1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 6 12.154 9.421 -0.051 1.00 0.00 H new ATOM 78 N PRO A 7 13.145 7.664 1.436 1.00 0.00 N ATOM 79 CA PRO A 7 13.818 6.660 2.257 1.00 0.00 C ATOM 80 C PRO A 7 12.918 6.137 3.372 1.00 0.00 C ATOM 81 O PRO A 7 13.109 6.476 4.543 1.00 0.00 O ATOM 82 CB PRO A 7 15.018 7.419 2.853 1.00 0.00 C ATOM 83 CG PRO A 7 14.986 8.788 2.249 1.00 0.00 C ATOM 84 CD PRO A 7 13.577 9.015 1.788 1.00 0.00 C ATOM 0 HA PRO A 7 14.102 5.783 1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.946 7.471 3.939 1.00 0.00 H new ATOM 0 HB3 PRO A 7 15.954 6.912 2.620 1.00 0.00 H new ATOM 0 HG2 PRO A 7 15.282 9.541 2.979 1.00 0.00 H new ATOM 0 HG3 PRO A 7 15.684 8.861 1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 7 12.957 9.449 2.572 1.00 0.00 H new ATOM 0 HD3 PRO A 7 13.532 9.692 0.935 1.00 0.00 H new ATOM 92 N ASN A 8 11.931 5.326 2.983 1.00 0.00 N ATOM 93 CA ASN A 8 10.984 4.707 3.914 1.00 0.00 C ATOM 94 C ASN A 8 10.167 5.758 4.664 1.00 0.00 C ATOM 95 O ASN A 8 10.654 6.407 5.587 1.00 0.00 O ATOM 96 CB ASN A 8 11.696 3.782 4.909 1.00 0.00 C ATOM 97 CG ASN A 8 10.722 2.917 5.690 1.00 0.00 C ATOM 98 OD1 ASN A 8 10.150 3.352 6.689 1.00 0.00 O ATOM 99 ND2 ASN A 8 10.525 1.687 5.239 1.00 0.00 N ATOM 0 H ASN A 8 11.765 5.079 2.007 1.00 0.00 H new ATOM 0 HA ASN A 8 10.300 4.105 3.316 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.395 3.142 4.371 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.283 4.382 5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.880 1.063 5.724 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.019 1.364 4.407 1.00 0.00 H new ATOM 106 N THR A 9 8.921 5.925 4.262 1.00 0.00 N ATOM 107 CA THR A 9 8.032 6.866 4.921 1.00 0.00 C ATOM 108 C THR A 9 6.940 6.127 5.691 1.00 0.00 C ATOM 109 O THR A 9 5.753 6.270 5.403 1.00 0.00 O ATOM 110 CB THR A 9 7.398 7.825 3.896 1.00 0.00 C ATOM 111 OG1 THR A 9 8.393 8.256 2.957 1.00 0.00 O ATOM 112 CG2 THR A 9 6.786 9.035 4.582 1.00 0.00 C ATOM 0 H THR A 9 8.500 5.421 3.481 1.00 0.00 H new ATOM 0 HA THR A 9 8.623 7.450 5.627 1.00 0.00 H new ATOM 0 HB THR A 9 6.605 7.290 3.374 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.031 8.981 2.407 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.346 9.694 3.833 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.012 8.707 5.276 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.560 9.573 5.129 1.00 0.00 H new ATOM 120 N CYS A 10 7.352 5.328 6.668 1.00 0.00 N ATOM 121 CA CYS A 10 6.411 4.558 7.465 1.00 0.00 C ATOM 122 C CYS A 10 7.037 4.112 8.781 1.00 0.00 C ATOM 123 O CYS A 10 7.789 3.138 8.827 1.00 0.00 O ATOM 124 CB CYS A 10 5.914 3.342 6.680 1.00 0.00 C ATOM 125 SG CYS A 10 4.256 3.567 5.961 1.00 0.00 S ATOM 0 H CYS A 10 8.330 5.198 6.925 1.00 0.00 H new ATOM 0 HA CYS A 10 5.563 5.203 7.694 1.00 0.00 H new ATOM 0 HB2 CYS A 10 6.621 3.123 5.880 1.00 0.00 H new ATOM 0 HB3 CYS A 10 5.900 2.475 7.340 1.00 0.00 H new ATOM 130 N SER A 11 6.730 4.832 9.849 1.00 0.00 N ATOM 131 CA SER A 11 7.232 4.486 11.170 1.00 0.00 C ATOM 132 C SER A 11 6.080 4.199 12.129 1.00 0.00 C ATOM 133 O SER A 11 5.437 5.116 12.640 1.00 0.00 O ATOM 134 CB SER A 11 8.107 5.613 11.717 1.00 0.00 C ATOM 135 OG SER A 11 8.905 6.183 10.693 1.00 0.00 O ATOM 0 H SER A 11 6.135 5.660 9.827 1.00 0.00 H new ATOM 0 HA SER A 11 7.836 3.583 11.080 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.477 6.383 12.162 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.748 5.228 12.510 1.00 0.00 H new ATOM 0 HG SER A 11 9.454 6.903 11.069 1.00 0.00 H new ATOM 141 N ILE A 12 5.813 2.917 12.346 1.00 0.00 N ATOM 142 CA ILE A 12 4.790 2.480 13.290 1.00 0.00 C ATOM 143 C ILE A 12 5.266 1.219 14.007 1.00 0.00 C ATOM 144 O ILE A 12 5.336 1.176 15.238 1.00 0.00 O ATOM 145 CB ILE A 12 3.435 2.179 12.601 1.00 0.00 C ATOM 146 CG1 ILE A 12 2.914 3.403 11.838 1.00 0.00 C ATOM 147 CG2 ILE A 12 2.412 1.727 13.636 1.00 0.00 C ATOM 148 CD1 ILE A 12 1.559 3.190 11.191 1.00 0.00 C ATOM 0 H ILE A 12 6.297 2.153 11.875 1.00 0.00 H new ATOM 0 HA ILE A 12 4.633 3.297 13.995 1.00 0.00 H new ATOM 0 HB ILE A 12 3.592 1.377 11.879 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.850 4.247 12.525 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.636 3.673 11.067 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.463 1.518 13.142 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.770 0.825 14.131 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.270 2.515 14.376 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.257 4.099 10.670 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.621 2.367 10.479 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.823 2.950 11.958 1.00 0.00 H new ATOM 160 N ASP A 13 5.606 0.209 13.211 1.00 0.00 N ATOM 161 CA ASP A 13 6.070 -1.085 13.710 1.00 0.00 C ATOM 162 C ASP A 13 6.429 -1.968 12.512 1.00 0.00 C ATOM 163 O ASP A 13 7.104 -1.509 11.588 1.00 0.00 O ATOM 164 CB ASP A 13 4.988 -1.747 14.581 1.00 0.00 C ATOM 165 CG ASP A 13 5.497 -2.959 15.334 1.00 0.00 C ATOM 166 OD1 ASP A 13 6.358 -2.801 16.222 1.00 0.00 O ATOM 167 OD2 ASP A 13 5.036 -4.075 15.029 1.00 0.00 O ATOM 0 H ASP A 13 5.567 0.265 12.193 1.00 0.00 H new ATOM 0 HA ASP A 13 6.952 -0.948 14.336 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.606 -1.017 15.294 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.151 -2.043 13.949 1.00 0.00 H new ATOM 172 N ASP A 14 5.968 -3.213 12.507 1.00 0.00 N ATOM 173 CA ASP A 14 6.143 -4.084 11.352 1.00 0.00 C ATOM 174 C ASP A 14 5.093 -3.741 10.303 1.00 0.00 C ATOM 175 O ASP A 14 4.176 -4.513 10.032 1.00 0.00 O ATOM 176 CB ASP A 14 6.037 -5.557 11.765 1.00 0.00 C ATOM 177 CG ASP A 14 6.280 -6.519 10.616 1.00 0.00 C ATOM 178 OD1 ASP A 14 7.150 -6.242 9.768 1.00 0.00 O ATOM 179 OD2 ASP A 14 5.600 -7.567 10.561 1.00 0.00 O ATOM 0 H ASP A 14 5.471 -3.641 13.288 1.00 0.00 H new ATOM 0 HA ASP A 14 7.136 -3.928 10.930 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.758 -5.758 12.558 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.046 -5.741 12.181 1.00 0.00 H new ATOM 184 N TYR A 15 5.212 -2.545 9.753 1.00 0.00 N ATOM 185 CA TYR A 15 4.276 -2.056 8.762 1.00 0.00 C ATOM 186 C TYR A 15 5.046 -1.468 7.591 1.00 0.00 C ATOM 187 O TYR A 15 6.022 -0.740 7.787 1.00 0.00 O ATOM 188 CB TYR A 15 3.351 -1.001 9.376 1.00 0.00 C ATOM 189 CG TYR A 15 2.395 -1.554 10.415 1.00 0.00 C ATOM 190 CD1 TYR A 15 1.274 -2.284 10.041 1.00 0.00 C ATOM 191 CD2 TYR A 15 2.620 -1.352 11.771 1.00 0.00 C ATOM 192 CE1 TYR A 15 0.406 -2.797 10.986 1.00 0.00 C ATOM 193 CE2 TYR A 15 1.755 -1.861 12.724 1.00 0.00 C ATOM 194 CZ TYR A 15 0.650 -2.584 12.325 1.00 0.00 C ATOM 195 OH TYR A 15 -0.212 -3.099 13.267 1.00 0.00 O ATOM 0 H TYR A 15 5.959 -1.889 9.982 1.00 0.00 H new ATOM 0 HA TYR A 15 3.660 -2.883 8.409 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.959 -0.221 9.834 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.775 -0.530 8.580 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.077 -2.454 8.993 1.00 0.00 H new ATOM 0 HD2 TYR A 15 3.485 -0.788 12.087 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.460 -3.363 10.676 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.944 -1.693 13.774 1.00 0.00 H new ATOM 0 HH TYR A 15 0.103 -2.860 14.164 1.00 0.00 H new ATOM 205 N LYS A 16 4.616 -1.787 6.384 1.00 0.00 N ATOM 206 CA LYS A 16 5.330 -1.364 5.191 1.00 0.00 C ATOM 207 C LYS A 16 4.654 -0.150 4.560 1.00 0.00 C ATOM 208 O LYS A 16 3.457 0.063 4.747 1.00 0.00 O ATOM 209 CB LYS A 16 5.399 -2.520 4.184 1.00 0.00 C ATOM 210 CG LYS A 16 6.245 -3.693 4.656 1.00 0.00 C ATOM 211 CD LYS A 16 5.401 -4.937 4.869 1.00 0.00 C ATOM 212 CE LYS A 16 5.878 -5.733 6.074 1.00 0.00 C ATOM 213 NZ LYS A 16 6.698 -6.910 5.679 1.00 0.00 N ATOM 0 H LYS A 16 3.776 -2.337 6.203 1.00 0.00 H new ATOM 0 HA LYS A 16 6.344 -1.080 5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.388 -2.872 3.979 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.804 -2.147 3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.023 -3.901 3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.748 -3.429 5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.359 -4.651 5.010 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.442 -5.563 3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.464 -5.086 6.726 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.016 -6.069 6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.072 -7.374 6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 6.108 -7.582 5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.489 -6.597 5.080 1.00 0.00 H new ATOM 227 N PRO A 17 5.416 0.663 3.805 1.00 0.00 N ATOM 228 CA PRO A 17 4.868 1.830 3.117 1.00 0.00 C ATOM 229 C PRO A 17 4.099 1.433 1.862 1.00 0.00 C ATOM 230 O PRO A 17 4.682 1.178 0.804 1.00 0.00 O ATOM 231 CB PRO A 17 6.110 2.644 2.753 1.00 0.00 C ATOM 232 CG PRO A 17 7.211 1.641 2.648 1.00 0.00 C ATOM 233 CD PRO A 17 6.871 0.528 3.604 1.00 0.00 C ATOM 0 HA PRO A 17 4.156 2.379 3.733 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.971 3.177 1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 17 6.329 3.392 3.515 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.296 1.264 1.629 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.171 2.091 2.902 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.128 -0.447 3.189 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.415 0.628 4.543 1.00 0.00 H new ATOM 241 N TYR A 18 2.788 1.362 1.997 1.00 0.00 N ATOM 242 CA TYR A 18 1.930 0.956 0.905 1.00 0.00 C ATOM 243 C TYR A 18 1.197 2.156 0.317 1.00 0.00 C ATOM 244 O TYR A 18 0.704 3.017 1.046 1.00 0.00 O ATOM 245 CB TYR A 18 0.902 -0.064 1.392 1.00 0.00 C ATOM 246 CG TYR A 18 1.462 -1.428 1.735 1.00 0.00 C ATOM 247 CD1 TYR A 18 2.000 -2.258 0.757 1.00 0.00 C ATOM 248 CD2 TYR A 18 1.430 -1.891 3.041 1.00 0.00 C ATOM 249 CE1 TYR A 18 2.488 -3.513 1.079 1.00 0.00 C ATOM 250 CE2 TYR A 18 1.919 -3.137 3.370 1.00 0.00 C ATOM 251 CZ TYR A 18 2.446 -3.947 2.389 1.00 0.00 C ATOM 252 OH TYR A 18 2.919 -5.198 2.723 1.00 0.00 O ATOM 0 H TYR A 18 2.293 1.583 2.861 1.00 0.00 H new ATOM 0 HA TYR A 18 2.558 0.508 0.135 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.403 0.339 2.274 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.140 -0.185 0.622 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.038 -1.919 -0.268 1.00 0.00 H new ATOM 0 HD2 TYR A 18 1.014 -1.264 3.815 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.899 -4.149 0.309 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.889 -3.477 4.395 1.00 0.00 H new ATOM 0 HH TYR A 18 3.639 -5.450 2.108 1.00 0.00 H new ATOM 262 N CYS A 19 1.129 2.207 -1.001 1.00 0.00 N ATOM 263 CA CYS A 19 0.332 3.210 -1.688 1.00 0.00 C ATOM 264 C CYS A 19 -1.102 2.703 -1.816 1.00 0.00 C ATOM 265 O CYS A 19 -1.456 2.046 -2.796 1.00 0.00 O ATOM 266 CB CYS A 19 0.929 3.508 -3.064 1.00 0.00 C ATOM 267 SG CYS A 19 2.120 4.885 -3.071 1.00 0.00 S ATOM 0 H CYS A 19 1.619 1.562 -1.621 1.00 0.00 H new ATOM 0 HA CYS A 19 0.333 4.137 -1.115 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.424 2.611 -3.436 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.120 3.737 -3.758 1.00 0.00 H new ATOM 272 N CYS A 20 -1.913 2.996 -0.810 1.00 0.00 N ATOM 273 CA CYS A 20 -3.245 2.419 -0.706 1.00 0.00 C ATOM 274 C CYS A 20 -4.296 3.257 -1.421 1.00 0.00 C ATOM 275 O CYS A 20 -4.565 4.399 -1.044 1.00 0.00 O ATOM 276 CB CYS A 20 -3.628 2.255 0.762 1.00 0.00 C ATOM 277 SG CYS A 20 -2.657 0.994 1.640 1.00 0.00 S ATOM 0 H CYS A 20 -1.670 3.633 -0.051 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.215 1.445 -1.194 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.505 3.212 1.269 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -4.685 1.995 0.825 1.00 0.00 H new ATOM 282 N GLN A 21 -4.883 2.682 -2.458 1.00 0.00 N ATOM 283 CA GLN A 21 -6.022 3.290 -3.129 1.00 0.00 C ATOM 284 C GLN A 21 -7.266 2.446 -2.864 1.00 0.00 C ATOM 285 O GLN A 21 -7.177 1.221 -2.779 1.00 0.00 O ATOM 286 CB GLN A 21 -5.768 3.415 -4.635 1.00 0.00 C ATOM 287 CG GLN A 21 -5.129 2.183 -5.259 1.00 0.00 C ATOM 288 CD GLN A 21 -3.944 2.523 -6.144 1.00 0.00 C ATOM 289 OE1 GLN A 21 -4.038 3.368 -7.033 1.00 0.00 O ATOM 290 NE2 GLN A 21 -2.821 1.867 -5.908 1.00 0.00 N ATOM 0 H GLN A 21 -4.588 1.790 -2.856 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.173 4.295 -2.736 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.714 3.615 -5.137 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.124 4.276 -4.814 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.804 1.507 -4.468 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.876 1.650 -5.847 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.783 1.173 -5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.993 2.055 -6.473 1.00 0.00 H new ATOM 299 N SER A 22 -8.414 3.091 -2.732 1.00 0.00 N ATOM 300 CA SER A 22 -9.643 2.395 -2.387 1.00 0.00 C ATOM 301 C SER A 22 -10.224 1.684 -3.605 1.00 0.00 C ATOM 302 O SER A 22 -10.667 2.321 -4.562 1.00 0.00 O ATOM 303 CB SER A 22 -10.651 3.394 -1.826 1.00 0.00 C ATOM 304 OG SER A 22 -10.027 4.645 -1.570 1.00 0.00 O ATOM 0 H SER A 22 -8.520 4.097 -2.859 1.00 0.00 H new ATOM 0 HA SER A 22 -9.421 1.641 -1.632 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.470 3.528 -2.533 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.085 3.003 -0.906 1.00 0.00 H new ATOM 0 HG SER A 22 -10.689 5.273 -1.212 1.00 0.00 H new ATOM 310 N MET A 23 -10.226 0.359 -3.556 1.00 0.00 N ATOM 311 CA MET A 23 -10.677 -0.452 -4.679 1.00 0.00 C ATOM 312 C MET A 23 -12.195 -0.569 -4.681 1.00 0.00 C ATOM 313 O MET A 23 -12.796 -1.043 -3.717 1.00 0.00 O ATOM 314 CB MET A 23 -10.033 -1.839 -4.621 1.00 0.00 C ATOM 315 CG MET A 23 -8.829 -1.988 -5.539 1.00 0.00 C ATOM 316 SD MET A 23 -9.014 -1.072 -7.083 1.00 0.00 S ATOM 317 CE MET A 23 -7.818 0.242 -6.847 1.00 0.00 C ATOM 0 H MET A 23 -9.919 -0.180 -2.746 1.00 0.00 H new ATOM 0 HA MET A 23 -10.371 0.037 -5.604 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.726 -2.046 -3.596 1.00 0.00 H new ATOM 0 HB3 MET A 23 -10.778 -2.588 -4.888 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.936 -1.640 -5.020 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.677 -3.044 -5.763 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.962 1.006 -7.611 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.954 0.685 -5.860 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.810 -0.165 -6.926 1.00 0.00 H new ATOM 327 N SER A 24 -12.811 -0.129 -5.764 1.00 0.00 N ATOM 328 CA SER A 24 -14.261 -0.087 -5.860 1.00 0.00 C ATOM 329 C SER A 24 -14.842 -1.451 -6.234 1.00 0.00 C ATOM 330 O SER A 24 -15.150 -1.711 -7.396 1.00 0.00 O ATOM 331 CB SER A 24 -14.667 0.969 -6.886 1.00 0.00 C ATOM 332 OG SER A 24 -13.762 2.066 -6.859 1.00 0.00 O ATOM 0 H SER A 24 -12.326 0.207 -6.596 1.00 0.00 H new ATOM 0 HA SER A 24 -14.665 0.177 -4.883 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.683 0.528 -7.883 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.678 1.319 -6.676 1.00 0.00 H new ATOM 0 HG SER A 24 -14.036 2.732 -7.523 1.00 0.00 H new ATOM 338 N GLY A 25 -14.970 -2.324 -5.240 1.00 0.00 N ATOM 339 CA GLY A 25 -15.607 -3.612 -5.453 1.00 0.00 C ATOM 340 C GLY A 25 -14.613 -4.726 -5.718 1.00 0.00 C ATOM 341 O GLY A 25 -14.903 -5.896 -5.476 1.00 0.00 O ATOM 0 H GLY A 25 -14.643 -2.162 -4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.204 -3.866 -4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.294 -3.537 -6.296 1.00 0.00 H new ATOM 345 N SER A 26 -13.446 -4.362 -6.221 1.00 0.00 N ATOM 346 CA SER A 26 -12.394 -5.323 -6.511 1.00 0.00 C ATOM 347 C SER A 26 -11.816 -5.892 -5.217 1.00 0.00 C ATOM 348 O SER A 26 -11.536 -7.091 -5.112 1.00 0.00 O ATOM 349 CB SER A 26 -11.307 -4.623 -7.314 1.00 0.00 C ATOM 350 OG SER A 26 -11.510 -3.218 -7.286 1.00 0.00 O ATOM 0 H SER A 26 -13.201 -3.396 -6.439 1.00 0.00 H new ATOM 0 HA SER A 26 -12.804 -6.153 -7.087 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.327 -4.865 -6.903 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.318 -4.980 -8.344 1.00 0.00 H new ATOM 0 HG SER A 26 -10.643 -2.762 -7.286 1.00 0.00 H new ATOM 356 N ALA A 27 -11.658 -5.016 -4.235 1.00 0.00 N ATOM 357 CA ALA A 27 -11.114 -5.371 -2.935 1.00 0.00 C ATOM 358 C ALA A 27 -11.339 -4.214 -1.978 1.00 0.00 C ATOM 359 O ALA A 27 -12.271 -3.433 -2.164 1.00 0.00 O ATOM 360 CB ALA A 27 -9.630 -5.701 -3.043 1.00 0.00 C ATOM 0 H ALA A 27 -11.906 -4.030 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 27 -11.621 -6.259 -2.558 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.243 -5.964 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.493 -6.542 -3.723 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.091 -4.834 -3.425 1.00 0.00 H new ATOM 366 N SER A 28 -10.502 -4.096 -0.964 1.00 0.00 N ATOM 367 CA SER A 28 -10.571 -2.958 -0.067 1.00 0.00 C ATOM 368 C SER A 28 -9.564 -1.894 -0.489 1.00 0.00 C ATOM 369 O SER A 28 -9.934 -0.849 -1.027 1.00 0.00 O ATOM 370 CB SER A 28 -10.306 -3.407 1.365 1.00 0.00 C ATOM 371 OG SER A 28 -10.028 -4.797 1.414 1.00 0.00 O ATOM 0 H SER A 28 -9.770 -4.771 -0.742 1.00 0.00 H new ATOM 0 HA SER A 28 -11.570 -2.526 -0.117 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.465 -2.849 1.776 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.172 -3.183 1.987 1.00 0.00 H new ATOM 0 HG SER A 28 -10.323 -5.159 2.275 1.00 0.00 H new ATOM 377 N LEU A 29 -8.287 -2.173 -0.275 1.00 0.00 N ATOM 378 CA LEU A 29 -7.244 -1.221 -0.605 1.00 0.00 C ATOM 379 C LEU A 29 -6.215 -1.844 -1.541 1.00 0.00 C ATOM 380 O LEU A 29 -5.644 -2.895 -1.251 1.00 0.00 O ATOM 381 CB LEU A 29 -6.564 -0.717 0.670 1.00 0.00 C ATOM 382 CG LEU A 29 -7.368 0.306 1.478 1.00 0.00 C ATOM 383 CD1 LEU A 29 -6.819 0.416 2.891 1.00 0.00 C ATOM 384 CD2 LEU A 29 -7.350 1.663 0.793 1.00 0.00 C ATOM 0 H LEU A 29 -7.951 -3.049 0.125 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.704 -0.376 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.348 -1.573 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.607 -0.271 0.400 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.401 -0.036 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.401 1.147 3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.884 -0.554 3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.777 0.734 2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.927 2.376 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.321 2.013 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.789 1.575 -0.201 1.00 0.00 H new ATOM 396 N GLY A 30 -5.994 -1.197 -2.670 1.00 0.00 N ATOM 397 CA GLY A 30 -4.973 -1.641 -3.591 1.00 0.00 C ATOM 398 C GLY A 30 -3.638 -1.031 -3.242 1.00 0.00 C ATOM 399 O GLY A 30 -3.188 -0.086 -3.889 1.00 0.00 O ATOM 0 H GLY A 30 -6.506 -0.367 -2.967 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.900 -2.728 -3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.249 -1.365 -4.609 1.00 0.00 H new ATOM 403 N CYS A 31 -3.021 -1.557 -2.202 1.00 0.00 N ATOM 404 CA CYS A 31 -1.800 -0.988 -1.664 1.00 0.00 C ATOM 405 C CYS A 31 -0.566 -1.560 -2.348 1.00 0.00 C ATOM 406 O CYS A 31 -0.144 -2.676 -2.059 1.00 0.00 O ATOM 407 CB CYS A 31 -1.729 -1.248 -0.162 1.00 0.00 C ATOM 408 SG CYS A 31 -3.215 -0.743 0.754 1.00 0.00 S ATOM 0 H CYS A 31 -3.350 -2.387 -1.708 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.818 0.086 -1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.558 -2.312 0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.867 -0.720 0.246 1.00 0.00 H new ATOM 413 N VAL A 32 0.009 -0.796 -3.259 1.00 0.00 N ATOM 414 CA VAL A 32 1.254 -1.196 -3.893 1.00 0.00 C ATOM 415 C VAL A 32 2.425 -0.824 -2.995 1.00 0.00 C ATOM 416 O VAL A 32 2.426 0.251 -2.397 1.00 0.00 O ATOM 417 CB VAL A 32 1.451 -0.540 -5.277 1.00 0.00 C ATOM 418 CG1 VAL A 32 1.751 -1.598 -6.323 1.00 0.00 C ATOM 419 CG2 VAL A 32 0.233 0.283 -5.680 1.00 0.00 C ATOM 0 H VAL A 32 -0.363 0.100 -3.576 1.00 0.00 H new ATOM 0 HA VAL A 32 1.208 -2.275 -4.042 1.00 0.00 H new ATOM 0 HB VAL A 32 2.301 0.139 -5.210 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.888 -1.121 -7.294 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.661 -2.132 -6.050 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.920 -2.301 -6.378 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.404 0.731 -6.659 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.644 -0.363 -5.725 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.066 1.070 -4.945 1.00 0.00 H new ATOM 429 N VAL A 33 3.403 -1.715 -2.882 1.00 0.00 N ATOM 430 CA VAL A 33 4.578 -1.443 -2.066 1.00 0.00 C ATOM 431 C VAL A 33 5.363 -0.270 -2.658 1.00 0.00 C ATOM 432 O VAL A 33 5.859 -0.336 -3.785 1.00 0.00 O ATOM 433 CB VAL A 33 5.480 -2.695 -1.917 1.00 0.00 C ATOM 434 CG1 VAL A 33 5.838 -3.292 -3.274 1.00 0.00 C ATOM 435 CG2 VAL A 33 6.736 -2.361 -1.123 1.00 0.00 C ATOM 0 H VAL A 33 3.406 -2.625 -3.342 1.00 0.00 H new ATOM 0 HA VAL A 33 4.240 -1.175 -1.065 1.00 0.00 H new ATOM 0 HB VAL A 33 4.915 -3.447 -1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.471 -4.168 -3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.926 -3.585 -3.795 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.373 -2.551 -3.868 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.355 -3.253 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.297 -1.582 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.456 -2.008 -0.130 1.00 0.00 H new ATOM 445 N GLY A 34 5.439 0.813 -1.898 1.00 0.00 N ATOM 446 CA GLY A 34 6.040 2.035 -2.392 1.00 0.00 C ATOM 447 C GLY A 34 7.534 1.914 -2.620 1.00 0.00 C ATOM 448 O GLY A 34 8.044 2.365 -3.645 1.00 0.00 O ATOM 0 H GLY A 34 5.092 0.867 -0.940 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.558 2.317 -3.328 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.851 2.839 -1.681 1.00 0.00 H new ATOM 452 N VAL A 35 8.226 1.286 -1.675 1.00 0.00 N ATOM 453 CA VAL A 35 9.687 1.209 -1.698 1.00 0.00 C ATOM 454 C VAL A 35 10.289 2.616 -1.742 1.00 0.00 C ATOM 455 O VAL A 35 10.151 3.379 -0.787 1.00 0.00 O ATOM 456 CB VAL A 35 10.229 0.363 -2.882 1.00 0.00 C ATOM 457 CG1 VAL A 35 11.629 -0.149 -2.573 1.00 0.00 C ATOM 458 CG2 VAL A 35 9.308 -0.808 -3.193 1.00 0.00 C ATOM 0 H VAL A 35 7.797 0.819 -0.877 1.00 0.00 H new ATOM 0 HA VAL A 35 9.990 0.704 -0.781 1.00 0.00 H new ATOM 0 HB VAL A 35 10.269 1.009 -3.759 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.994 -0.740 -3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.297 0.696 -2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.600 -0.770 -1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.716 -1.380 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.228 -1.451 -2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.320 -0.433 -3.459 1.00 0.00 H new ATOM 468 N ILE A 36 10.928 2.967 -2.855 1.00 0.00 N ATOM 469 CA ILE A 36 11.569 4.271 -2.992 1.00 0.00 C ATOM 470 C ILE A 36 11.232 4.904 -4.337 1.00 0.00 C ATOM 471 O ILE A 36 11.328 4.254 -5.376 1.00 0.00 O ATOM 472 CB ILE A 36 13.112 4.181 -2.884 1.00 0.00 C ATOM 473 CG1 ILE A 36 13.541 3.100 -1.880 1.00 0.00 C ATOM 474 CG2 ILE A 36 13.698 5.537 -2.507 1.00 0.00 C ATOM 475 CD1 ILE A 36 13.512 3.542 -0.430 1.00 0.00 C ATOM 0 H ILE A 36 11.015 2.366 -3.675 1.00 0.00 H new ATOM 0 HA ILE A 36 11.187 4.881 -2.174 1.00 0.00 H new ATOM 0 HB ILE A 36 13.502 3.894 -3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 36 12.888 2.235 -1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.551 2.773 -2.127 1.00 0.00 H new ATOM 0 HG21 ILE A 36 14.783 5.457 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.438 6.271 -3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.293 5.854 -1.546 1.00 0.00 H new ATOM 0 HD11 ILE A 36 13.829 2.717 0.208 1.00 0.00 H new ATOM 0 HD12 ILE A 36 14.187 4.387 -0.294 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.499 3.840 -0.161 1.00 0.00 H new ATOM 487 N GLY A 37 10.816 6.164 -4.312 1.00 0.00 N ATOM 488 CA GLY A 37 10.679 6.925 -5.542 1.00 0.00 C ATOM 489 C GLY A 37 9.252 7.038 -6.039 1.00 0.00 C ATOM 490 O GLY A 37 8.881 8.054 -6.630 1.00 0.00 O ATOM 0 H GLY A 37 10.571 6.674 -3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.079 7.927 -5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.287 6.458 -6.316 1.00 0.00 H new ATOM 494 N SER A 38 8.460 6.000 -5.813 1.00 0.00 N ATOM 495 CA SER A 38 7.080 5.958 -6.290 1.00 0.00 C ATOM 496 C SER A 38 6.254 7.146 -5.781 1.00 0.00 C ATOM 497 O SER A 38 6.359 7.547 -4.618 1.00 0.00 O ATOM 498 CB SER A 38 6.430 4.641 -5.869 1.00 0.00 C ATOM 499 OG SER A 38 7.371 3.576 -5.900 1.00 0.00 O ATOM 0 H SER A 38 8.750 5.168 -5.299 1.00 0.00 H new ATOM 0 HA SER A 38 7.102 6.026 -7.378 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.019 4.739 -4.864 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.596 4.414 -6.533 1.00 0.00 H new ATOM 0 HG SER A 38 7.282 3.037 -5.086 1.00 0.00 H new ATOM 505 N GLN A 39 5.445 7.709 -6.668 1.00 0.00 N ATOM 506 CA GLN A 39 4.585 8.830 -6.325 1.00 0.00 C ATOM 507 C GLN A 39 3.247 8.330 -5.801 1.00 0.00 C ATOM 508 O GLN A 39 2.449 7.767 -6.551 1.00 0.00 O ATOM 509 CB GLN A 39 4.358 9.719 -7.547 1.00 0.00 C ATOM 510 CG GLN A 39 5.088 11.044 -7.481 1.00 0.00 C ATOM 511 CD GLN A 39 6.236 11.129 -8.466 1.00 0.00 C ATOM 512 OE1 GLN A 39 6.519 10.182 -9.203 1.00 0.00 O ATOM 513 NE2 GLN A 39 6.894 12.273 -8.495 1.00 0.00 N ATOM 0 H GLN A 39 5.367 7.403 -7.638 1.00 0.00 H new ATOM 0 HA GLN A 39 5.077 9.413 -5.546 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.678 9.182 -8.440 1.00 0.00 H new ATOM 0 HB3 GLN A 39 3.290 9.908 -7.654 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.384 11.852 -7.679 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.469 11.194 -6.471 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.627 13.031 -7.867 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.670 12.399 -9.145 1.00 0.00 H new ATOM 522 N CYS A 40 3.004 8.531 -4.519 1.00 0.00 N ATOM 523 CA CYS A 40 1.759 8.098 -3.910 1.00 0.00 C ATOM 524 C CYS A 40 0.670 9.139 -4.130 1.00 0.00 C ATOM 525 O CYS A 40 0.510 10.068 -3.338 1.00 0.00 O ATOM 526 CB CYS A 40 1.952 7.844 -2.415 1.00 0.00 C ATOM 527 SG CYS A 40 1.275 6.255 -1.836 1.00 0.00 S ATOM 0 H CYS A 40 3.652 8.991 -3.879 1.00 0.00 H new ATOM 0 HA CYS A 40 1.452 7.165 -4.383 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.017 7.878 -2.186 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.481 8.653 -1.856 1.00 0.00 H new ATOM 532 N GLY A 41 -0.065 8.986 -5.225 1.00 0.00 N ATOM 533 CA GLY A 41 -1.170 9.879 -5.513 1.00 0.00 C ATOM 534 C GLY A 41 -2.408 9.526 -4.712 1.00 0.00 C ATOM 535 O GLY A 41 -3.445 10.180 -4.826 1.00 0.00 O ATOM 0 H GLY A 41 0.086 8.256 -5.921 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.875 10.905 -5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.402 9.837 -6.577 1.00 0.00 H new ATOM 539 N ALA A 42 -2.288 8.490 -3.897 1.00 0.00 N ATOM 540 CA ALA A 42 -3.385 8.026 -3.073 1.00 0.00 C ATOM 541 C ALA A 42 -2.992 8.081 -1.601 1.00 0.00 C ATOM 542 O ALA A 42 -2.017 8.743 -1.239 1.00 0.00 O ATOM 543 CB ALA A 42 -3.782 6.612 -3.474 1.00 0.00 C ATOM 0 H ALA A 42 -1.429 7.951 -3.791 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.245 8.678 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.608 6.274 -2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.092 6.604 -4.519 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.931 5.944 -3.343 1.00 0.00 H new ATOM 549 N SER A 43 -3.744 7.386 -0.764 1.00 0.00 N ATOM 550 CA SER A 43 -3.496 7.381 0.667 1.00 0.00 C ATOM 551 C SER A 43 -2.263 6.543 1.012 1.00 0.00 C ATOM 552 O SER A 43 -2.283 5.315 0.909 1.00 0.00 O ATOM 553 CB SER A 43 -4.728 6.836 1.393 1.00 0.00 C ATOM 554 OG SER A 43 -5.700 6.374 0.462 1.00 0.00 O ATOM 0 H SER A 43 -4.537 6.814 -1.054 1.00 0.00 H new ATOM 0 HA SER A 43 -3.303 8.404 0.991 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.435 6.021 2.054 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.160 7.615 2.020 1.00 0.00 H new ATOM 0 HG SER A 43 -5.371 5.564 0.020 1.00 0.00 H new ATOM 560 N VAL A 44 -1.187 7.215 1.395 1.00 0.00 N ATOM 561 CA VAL A 44 0.012 6.529 1.862 1.00 0.00 C ATOM 562 C VAL A 44 -0.249 5.929 3.236 1.00 0.00 C ATOM 563 O VAL A 44 -0.434 6.662 4.210 1.00 0.00 O ATOM 564 CB VAL A 44 1.226 7.478 1.961 1.00 0.00 C ATOM 565 CG1 VAL A 44 2.522 6.714 1.742 1.00 0.00 C ATOM 566 CG2 VAL A 44 1.108 8.628 0.973 1.00 0.00 C ATOM 0 H VAL A 44 -1.118 8.233 1.392 1.00 0.00 H new ATOM 0 HA VAL A 44 0.246 5.752 1.134 1.00 0.00 H new ATOM 0 HB VAL A 44 1.239 7.901 2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.366 7.400 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.619 5.937 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.512 6.256 0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.977 9.279 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.058 8.232 -0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.203 9.198 1.185 1.00 0.00 H new ATOM 576 N LYS A 45 -0.281 4.606 3.312 1.00 0.00 N ATOM 577 CA LYS A 45 -0.625 3.928 4.554 1.00 0.00 C ATOM 578 C LYS A 45 0.402 2.860 4.905 1.00 0.00 C ATOM 579 O LYS A 45 0.969 2.208 4.028 1.00 0.00 O ATOM 580 CB LYS A 45 -2.015 3.293 4.442 1.00 0.00 C ATOM 581 CG LYS A 45 -3.150 4.304 4.430 1.00 0.00 C ATOM 582 CD LYS A 45 -4.506 3.620 4.398 1.00 0.00 C ATOM 583 CE LYS A 45 -5.062 3.416 5.797 1.00 0.00 C ATOM 584 NZ LYS A 45 -6.407 4.027 5.955 1.00 0.00 N ATOM 0 H LYS A 45 -0.074 3.983 2.532 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.629 4.672 5.350 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.060 2.698 3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.160 2.607 5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.082 4.939 5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.049 4.955 3.562 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.203 4.220 3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.416 2.656 3.897 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.121 2.349 6.012 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.378 3.851 6.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.923 3.539 6.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.305 5.033 6.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.936 3.937 5.064 1.00 0.00 H new ATOM 598 N CYS A 46 0.634 2.688 6.195 1.00 0.00 N ATOM 599 CA CYS A 46 1.535 1.658 6.679 1.00 0.00 C ATOM 600 C CYS A 46 0.735 0.436 7.098 1.00 0.00 C ATOM 601 O CYS A 46 0.532 0.184 8.282 1.00 0.00 O ATOM 602 CB CYS A 46 2.359 2.180 7.856 1.00 0.00 C ATOM 603 SG CYS A 46 3.067 3.833 7.583 1.00 0.00 S ATOM 0 H CYS A 46 0.207 3.253 6.930 1.00 0.00 H new ATOM 0 HA CYS A 46 2.219 1.380 5.877 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.728 2.208 8.745 1.00 0.00 H new ATOM 0 HB3 CYS A 46 3.168 1.478 8.061 1.00 0.00 H new ATOM 608 N CYS A 47 0.271 -0.312 6.115 1.00 0.00 N ATOM 609 CA CYS A 47 -0.589 -1.456 6.368 1.00 0.00 C ATOM 610 C CYS A 47 0.219 -2.726 6.593 1.00 0.00 C ATOM 611 O CYS A 47 1.431 -2.762 6.367 1.00 0.00 O ATOM 612 CB CYS A 47 -1.546 -1.653 5.196 1.00 0.00 C ATOM 613 SG CYS A 47 -2.526 -0.172 4.789 1.00 0.00 S ATOM 0 H CYS A 47 0.475 -0.148 5.129 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.156 -1.254 7.277 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.973 -1.951 4.318 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.225 -2.474 5.427 1.00 0.00 H new ATOM 618 N LYS A 48 -0.463 -3.764 7.055 1.00 0.00 N ATOM 619 CA LYS A 48 0.139 -5.073 7.207 1.00 0.00 C ATOM 620 C LYS A 48 -0.649 -6.090 6.396 1.00 0.00 C ATOM 621 O LYS A 48 -1.873 -6.129 6.470 1.00 0.00 O ATOM 622 CB LYS A 48 0.176 -5.482 8.684 1.00 0.00 C ATOM 623 CG LYS A 48 0.593 -6.926 8.915 1.00 0.00 C ATOM 624 CD LYS A 48 2.026 -7.018 9.406 1.00 0.00 C ATOM 625 CE LYS A 48 2.182 -8.117 10.437 1.00 0.00 C ATOM 626 NZ LYS A 48 3.140 -7.739 11.502 1.00 0.00 N ATOM 0 H LYS A 48 -1.443 -3.720 7.333 1.00 0.00 H new ATOM 0 HA LYS A 48 1.165 -5.037 6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.866 -4.826 9.215 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.811 -5.326 9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.073 -7.386 9.645 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.488 -7.489 7.988 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.690 -7.209 8.563 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.327 -6.064 9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.212 -8.338 10.882 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.524 -9.029 9.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.978 -8.332 12.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.112 -7.881 11.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.003 -6.739 11.753 1.00 0.00 H new ATOM 640 N ASP A 49 0.060 -6.878 5.605 1.00 0.00 N ATOM 641 CA ASP A 49 -0.537 -7.936 4.789 1.00 0.00 C ATOM 642 C ASP A 49 0.586 -8.714 4.123 1.00 0.00 C ATOM 643 O ASP A 49 0.528 -9.938 3.984 1.00 0.00 O ATOM 644 CB ASP A 49 -1.477 -7.365 3.720 1.00 0.00 C ATOM 645 CG ASP A 49 -2.643 -8.290 3.399 1.00 0.00 C ATOM 646 OD1 ASP A 49 -2.452 -9.522 3.393 1.00 0.00 O ATOM 647 OD2 ASP A 49 -3.767 -7.786 3.168 1.00 0.00 O ATOM 0 H ASP A 49 1.073 -6.806 5.506 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.131 -8.585 5.432 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.865 -6.405 4.060 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.910 -7.175 2.809 1.00 0.00 H new ATOM 652 N ASP A 50 1.612 -7.958 3.720 1.00 0.00 N ATOM 653 CA ASP A 50 2.853 -8.498 3.163 1.00 0.00 C ATOM 654 C ASP A 50 2.638 -9.059 1.766 1.00 0.00 C ATOM 655 O ASP A 50 2.934 -8.399 0.772 1.00 0.00 O ATOM 656 CB ASP A 50 3.453 -9.567 4.079 1.00 0.00 C ATOM 657 CG ASP A 50 4.967 -9.575 4.039 1.00 0.00 C ATOM 658 OD1 ASP A 50 5.570 -8.499 3.839 1.00 0.00 O ATOM 659 OD2 ASP A 50 5.562 -10.657 4.218 1.00 0.00 O ATOM 0 H ASP A 50 1.602 -6.939 3.773 1.00 0.00 H new ATOM 0 HA ASP A 50 3.560 -7.671 3.091 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.120 -9.394 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.079 -10.547 3.783 1.00 0.00 H new ATOM 664 N VAL A 51 2.130 -10.276 1.694 1.00 0.00 N ATOM 665 CA VAL A 51 1.873 -10.925 0.420 1.00 0.00 C ATOM 666 C VAL A 51 0.497 -11.576 0.441 1.00 0.00 C ATOM 667 O VAL A 51 0.225 -12.429 1.285 1.00 0.00 O ATOM 668 CB VAL A 51 2.937 -12.005 0.094 1.00 0.00 C ATOM 669 CG1 VAL A 51 2.690 -12.615 -1.281 1.00 0.00 C ATOM 670 CG2 VAL A 51 4.346 -11.429 0.172 1.00 0.00 C ATOM 0 H VAL A 51 1.886 -10.839 2.509 1.00 0.00 H new ATOM 0 HA VAL A 51 1.919 -10.157 -0.352 1.00 0.00 H new ATOM 0 HB VAL A 51 2.848 -12.793 0.842 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.449 -13.369 -1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.704 -13.078 -1.302 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.740 -11.834 -2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.071 -12.209 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.446 -10.614 -0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.530 -11.052 1.178 1.00 0.00 H new ATOM 680 N THR A 52 -0.374 -11.161 -0.466 1.00 0.00 N ATOM 681 CA THR A 52 -1.691 -11.760 -0.575 1.00 0.00 C ATOM 682 C THR A 52 -1.609 -13.084 -1.330 1.00 0.00 C ATOM 683 O THR A 52 -1.405 -14.136 -0.725 1.00 0.00 O ATOM 684 CB THR A 52 -2.670 -10.812 -1.289 1.00 0.00 C ATOM 685 OG1 THR A 52 -1.990 -9.603 -1.653 1.00 0.00 O ATOM 686 CG2 THR A 52 -3.859 -10.489 -0.397 1.00 0.00 C ATOM 0 H THR A 52 -0.191 -10.413 -1.135 1.00 0.00 H new ATOM 0 HA THR A 52 -2.062 -11.944 0.433 1.00 0.00 H new ATOM 0 HB THR A 52 -3.041 -11.307 -2.187 1.00 0.00 H new ATOM 0 HG1 THR A 52 -2.576 -8.835 -1.486 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.537 -9.817 -0.924 1.00 0.00 H new ATOM 0 HG22 THR A 52 -4.385 -11.410 -0.144 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.509 -10.008 0.516 1.00 0.00 H new ATOM 694 N ASN A 53 -1.763 -13.029 -2.647 1.00 0.00 N ATOM 695 CA ASN A 53 -1.638 -14.216 -3.481 1.00 0.00 C ATOM 696 C ASN A 53 -1.405 -13.823 -4.930 1.00 0.00 C ATOM 697 O ASN A 53 -0.294 -13.938 -5.445 1.00 0.00 O ATOM 698 CB ASN A 53 -2.885 -15.101 -3.370 1.00 0.00 C ATOM 699 CG ASN A 53 -2.584 -16.557 -3.686 1.00 0.00 C ATOM 700 OD1 ASN A 53 -2.216 -16.901 -4.809 1.00 0.00 O ATOM 701 ND2 ASN A 53 -2.741 -17.423 -2.695 1.00 0.00 N ATOM 0 H ASN A 53 -1.975 -12.174 -3.160 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.780 -14.787 -3.126 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.293 -15.026 -2.362 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -3.651 -14.734 -4.052 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.555 -18.414 -2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -3.048 -17.098 -1.778 1.00 0.00 H new ATOM 708 N THR A 54 -2.456 -13.341 -5.576 1.00 0.00 N ATOM 709 CA THR A 54 -2.396 -12.966 -6.976 1.00 0.00 C ATOM 710 C THR A 54 -1.757 -11.594 -7.163 1.00 0.00 C ATOM 711 O THR A 54 -2.228 -10.596 -6.615 1.00 0.00 O ATOM 712 CB THR A 54 -3.806 -12.950 -7.588 1.00 0.00 C ATOM 713 OG1 THR A 54 -4.626 -13.929 -6.935 1.00 0.00 O ATOM 714 CG2 THR A 54 -3.753 -13.228 -9.081 1.00 0.00 C ATOM 0 H THR A 54 -3.370 -13.200 -5.145 1.00 0.00 H new ATOM 0 HA THR A 54 -1.780 -13.709 -7.483 1.00 0.00 H new ATOM 0 HB THR A 54 -4.236 -11.959 -7.442 1.00 0.00 H new ATOM 0 HG1 THR A 54 -5.525 -13.916 -7.325 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.763 -13.211 -9.490 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.150 -12.464 -9.572 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.308 -14.208 -9.253 1.00 0.00 H new ATOM 722 N GLY A 55 -0.681 -11.560 -7.931 1.00 0.00 N ATOM 723 CA GLY A 55 -0.043 -10.309 -8.275 1.00 0.00 C ATOM 724 C GLY A 55 -0.285 -9.963 -9.726 1.00 0.00 C ATOM 725 O GLY A 55 0.500 -10.332 -10.600 1.00 0.00 O ATOM 0 H GLY A 55 -0.234 -12.387 -8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.427 -9.513 -7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.028 -10.379 -8.087 1.00 0.00 H new ATOM 729 N ASN A 56 -1.378 -9.261 -9.987 1.00 0.00 N ATOM 730 CA ASN A 56 -1.782 -8.956 -11.354 1.00 0.00 C ATOM 731 C ASN A 56 -0.960 -7.796 -11.917 1.00 0.00 C ATOM 732 O ASN A 56 -0.040 -8.005 -12.706 1.00 0.00 O ATOM 733 CB ASN A 56 -3.284 -8.631 -11.419 1.00 0.00 C ATOM 734 CG ASN A 56 -3.801 -7.928 -10.174 1.00 0.00 C ATOM 735 OD1 ASN A 56 -3.266 -6.899 -9.760 1.00 0.00 O ATOM 736 ND2 ASN A 56 -4.842 -8.473 -9.570 1.00 0.00 N ATOM 0 H ASN A 56 -2.002 -8.891 -9.270 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.594 -9.838 -11.966 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.475 -8.003 -12.289 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.843 -9.555 -11.564 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.229 -8.041 -8.731 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.259 -9.326 -9.943 1.00 0.00 H new ATOM 743 N SER A 57 -1.297 -6.580 -11.516 1.00 0.00 N ATOM 744 CA SER A 57 -0.551 -5.400 -11.926 1.00 0.00 C ATOM 745 C SER A 57 -0.055 -4.637 -10.701 1.00 0.00 C ATOM 746 O SER A 57 0.805 -3.759 -10.804 1.00 0.00 O ATOM 747 CB SER A 57 -1.435 -4.498 -12.791 1.00 0.00 C ATOM 748 OG SER A 57 -2.613 -5.182 -13.190 1.00 0.00 O ATOM 0 H SER A 57 -2.088 -6.384 -10.903 1.00 0.00 H new ATOM 0 HA SER A 57 0.313 -5.714 -12.512 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.701 -3.600 -12.234 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.881 -4.174 -13.672 1.00 0.00 H new ATOM 0 HG SER A 57 -3.165 -4.588 -13.740 1.00 0.00 H new ATOM 754 N PHE A 58 -0.603 -4.988 -9.544 1.00 0.00 N ATOM 755 CA PHE A 58 -0.247 -4.347 -8.289 1.00 0.00 C ATOM 756 C PHE A 58 -0.637 -5.245 -7.121 1.00 0.00 C ATOM 757 O PHE A 58 -1.159 -6.340 -7.328 1.00 0.00 O ATOM 758 CB PHE A 58 -0.919 -2.967 -8.171 1.00 0.00 C ATOM 759 CG PHE A 58 -2.410 -2.997 -7.936 1.00 0.00 C ATOM 760 CD1 PHE A 58 -3.239 -3.847 -8.656 1.00 0.00 C ATOM 761 CD2 PHE A 58 -2.981 -2.157 -6.996 1.00 0.00 C ATOM 762 CE1 PHE A 58 -4.602 -3.858 -8.437 1.00 0.00 C ATOM 763 CE2 PHE A 58 -4.342 -2.165 -6.774 1.00 0.00 C ATOM 764 CZ PHE A 58 -5.154 -3.016 -7.495 1.00 0.00 C ATOM 0 H PHE A 58 -1.304 -5.723 -9.452 1.00 0.00 H new ATOM 0 HA PHE A 58 0.832 -4.193 -8.266 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.449 -2.420 -7.353 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.722 -2.405 -9.084 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.812 -4.508 -9.396 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.352 -1.486 -6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.235 -4.525 -9.003 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.772 -1.505 -6.035 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.220 -3.023 -7.322 1.00 0.00 H new ATOM 774 N LEU A 59 -0.386 -4.787 -5.904 1.00 0.00 N ATOM 775 CA LEU A 59 -0.709 -5.568 -4.721 1.00 0.00 C ATOM 776 C LEU A 59 -2.030 -5.108 -4.122 1.00 0.00 C ATOM 777 O LEU A 59 -2.334 -3.915 -4.105 1.00 0.00 O ATOM 778 CB LEU A 59 0.407 -5.447 -3.680 1.00 0.00 C ATOM 779 CG LEU A 59 1.043 -6.771 -3.258 1.00 0.00 C ATOM 780 CD1 LEU A 59 2.300 -7.043 -4.071 1.00 0.00 C ATOM 781 CD2 LEU A 59 1.360 -6.756 -1.770 1.00 0.00 C ATOM 0 H LEU A 59 0.039 -3.880 -5.710 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.803 -6.613 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.186 -4.798 -4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.005 -4.956 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 59 0.331 -7.574 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.739 -7.990 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.045 -7.095 -5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.018 -6.239 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.812 -7.706 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.054 -5.944 -1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.441 -6.607 -1.204 1.00 0.00 H new ATOM 793 N ILE A 60 -2.812 -6.062 -3.647 1.00 0.00 N ATOM 794 CA ILE A 60 -4.074 -5.760 -2.993 1.00 0.00 C ATOM 795 C ILE A 60 -4.014 -6.187 -1.533 1.00 0.00 C ATOM 796 O ILE A 60 -3.561 -7.291 -1.220 1.00 0.00 O ATOM 797 CB ILE A 60 -5.269 -6.449 -3.688 1.00 0.00 C ATOM 798 CG1 ILE A 60 -4.785 -7.566 -4.624 1.00 0.00 C ATOM 799 CG2 ILE A 60 -6.085 -5.422 -4.458 1.00 0.00 C ATOM 800 CD1 ILE A 60 -5.884 -8.192 -5.460 1.00 0.00 C ATOM 0 H ILE A 60 -2.594 -7.057 -3.702 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.229 -4.683 -3.061 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.902 -6.901 -2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.022 -7.163 -5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.309 -8.344 -4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.926 -5.916 -4.945 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.459 -4.664 -3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.456 -4.949 -5.212 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.460 -8.971 -6.093 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.637 -8.628 -4.803 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.346 -7.428 -6.085 1.00 0.00 H new ATOM 812 N ILE A 61 -4.460 -5.309 -0.648 1.00 0.00 N ATOM 813 CA ILE A 61 -4.341 -5.533 0.783 1.00 0.00 C ATOM 814 C ILE A 61 -5.697 -5.364 1.465 1.00 0.00 C ATOM 815 O ILE A 61 -6.502 -4.514 1.073 1.00 0.00 O ATOM 816 CB ILE A 61 -3.286 -4.567 1.390 1.00 0.00 C ATOM 817 CG1 ILE A 61 -1.891 -5.179 1.273 1.00 0.00 C ATOM 818 CG2 ILE A 61 -3.585 -4.228 2.845 1.00 0.00 C ATOM 819 CD1 ILE A 61 -1.059 -4.593 0.159 1.00 0.00 C ATOM 0 H ILE A 61 -4.911 -4.429 -0.899 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.005 -6.556 0.953 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.330 -3.637 0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.364 -5.042 2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.988 -6.253 1.115 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.820 -3.550 3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.561 -3.748 2.914 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.587 -5.142 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.083 -5.078 0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.563 -4.753 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.929 -3.524 0.326 1.00 0.00 H new ATOM 831 N ASN A 62 -5.953 -6.192 2.468 1.00 0.00 N ATOM 832 CA ASN A 62 -7.214 -6.150 3.199 1.00 0.00 C ATOM 833 C ASN A 62 -7.210 -5.020 4.223 1.00 0.00 C ATOM 834 O ASN A 62 -6.275 -4.890 5.021 1.00 0.00 O ATOM 835 CB ASN A 62 -7.464 -7.489 3.898 1.00 0.00 C ATOM 836 CG ASN A 62 -8.810 -7.542 4.599 1.00 0.00 C ATOM 837 OD1 ASN A 62 -9.780 -6.925 4.161 1.00 0.00 O ATOM 838 ND2 ASN A 62 -8.875 -8.278 5.698 1.00 0.00 N ATOM 0 H ASN A 62 -5.301 -6.905 2.796 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.016 -5.965 2.485 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.409 -8.293 3.164 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.673 -7.667 4.626 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.752 -8.348 6.214 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -8.048 -8.775 6.029 1.00 0.00 H new ATOM 845 N ALA A 63 -8.270 -4.218 4.217 1.00 0.00 N ATOM 846 CA ALA A 63 -8.376 -3.060 5.101 1.00 0.00 C ATOM 847 C ALA A 63 -8.816 -3.458 6.509 1.00 0.00 C ATOM 848 O ALA A 63 -9.690 -2.826 7.104 1.00 0.00 O ATOM 849 CB ALA A 63 -9.337 -2.035 4.514 1.00 0.00 C ATOM 0 H ALA A 63 -9.075 -4.350 3.604 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.384 -2.615 5.182 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.407 -1.177 5.183 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.970 -1.708 3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.323 -2.485 4.397 1.00 0.00 H new ATOM 855 N ALA A 64 -8.220 -4.517 7.022 1.00 0.00 N ATOM 856 CA ALA A 64 -8.452 -4.947 8.391 1.00 0.00 C ATOM 857 C ALA A 64 -7.117 -5.076 9.103 1.00 0.00 C ATOM 858 O ALA A 64 -6.870 -4.442 10.126 1.00 0.00 O ATOM 859 CB ALA A 64 -9.207 -6.269 8.419 1.00 0.00 C ATOM 0 H ALA A 64 -7.564 -5.103 6.506 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.065 -4.205 8.904 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -9.370 -6.573 9.453 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.169 -6.150 7.920 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.623 -7.032 7.904 1.00 0.00 H new ATOM 865 N ASN A 65 -6.257 -5.903 8.527 1.00 0.00 N ATOM 866 CA ASN A 65 -4.878 -6.042 8.975 1.00 0.00 C ATOM 867 C ASN A 65 -4.099 -4.770 8.653 1.00 0.00 C ATOM 868 O ASN A 65 -3.089 -4.458 9.283 1.00 0.00 O ATOM 869 CB ASN A 65 -4.226 -7.251 8.297 1.00 0.00 C ATOM 870 CG ASN A 65 -4.868 -7.582 6.959 1.00 0.00 C ATOM 871 OD1 ASN A 65 -6.005 -8.050 6.896 1.00 0.00 O ATOM 872 ND2 ASN A 65 -4.154 -7.324 5.884 1.00 0.00 N ATOM 0 H ASN A 65 -6.496 -6.498 7.734 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.866 -6.199 10.054 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.165 -7.052 8.148 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.299 -8.116 8.956 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.540 -7.512 4.959 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.215 -6.936 5.976 1.00 0.00 H new ATOM 879 N CYS A 66 -4.570 -4.048 7.647 1.00 0.00 N ATOM 880 CA CYS A 66 -4.058 -2.718 7.358 1.00 0.00 C ATOM 881 C CYS A 66 -4.671 -1.715 8.331 1.00 0.00 C ATOM 882 O CYS A 66 -5.880 -1.729 8.568 1.00 0.00 O ATOM 883 CB CYS A 66 -4.380 -2.324 5.912 1.00 0.00 C ATOM 884 SG CYS A 66 -4.355 -0.527 5.600 1.00 0.00 S ATOM 0 H CYS A 66 -5.307 -4.362 7.016 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.975 -2.718 7.478 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.662 -2.806 5.248 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.365 -2.712 5.653 1.00 0.00 H new ATOM 889 N VAL A 67 -3.831 -0.858 8.903 1.00 0.00 N ATOM 890 CA VAL A 67 -4.282 0.106 9.899 1.00 0.00 C ATOM 891 C VAL A 67 -4.880 1.350 9.239 1.00 0.00 C ATOM 892 O VAL A 67 -5.323 1.301 8.092 1.00 0.00 O ATOM 893 CB VAL A 67 -3.134 0.520 10.846 1.00 0.00 C ATOM 894 CG1 VAL A 67 -2.767 -0.630 11.771 1.00 0.00 C ATOM 895 CG2 VAL A 67 -1.920 0.991 10.059 1.00 0.00 C ATOM 0 H VAL A 67 -2.834 -0.812 8.693 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.057 -0.386 10.487 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.480 1.355 11.456 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.957 -0.321 12.431 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.636 -0.908 12.368 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.445 -1.486 11.178 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.127 1.276 10.750 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.568 0.184 9.416 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.194 1.850 9.447 1.00 0.00 H new ATOM 905 N ALA A 68 -4.881 2.467 9.956 1.00 0.00 N ATOM 906 CA ALA A 68 -5.504 3.684 9.459 1.00 0.00 C ATOM 907 C ALA A 68 -4.697 4.912 9.859 1.00 0.00 C ATOM 908 O ALA A 68 -4.309 5.009 11.042 1.00 0.00 O ATOM 909 CB ALA A 68 -6.932 3.791 9.975 1.00 0.00 C ATOM 910 OXT ALA A 68 -4.447 5.771 8.991 1.00 0.00 O ATOM 0 H ALA A 68 -4.458 2.554 10.880 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.527 3.638 8.370 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.388 4.706 9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.508 2.931 9.634 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.924 3.813 11.065 1.00 0.00 H new