USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 527 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 23 CYS SG : rot 155:sc= -13.3! USER MOD Set 1.2: A 47 CYS SG : rot 38:sc= -9.63! USER MOD Set 2.1: A 14 CYS SG : rot -96:sc= -17! USER MOD Set 2.2: A 64 CYS SG : rot -56:sc= -18.9! USER MOD Single : A 1 ASP N :NH3+ -168:sc= 0.00967 (180deg=-0.183) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -156:sc= -0.263 (180deg=-0.778) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -158:sc= 0.314 (180deg=-0.211) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 165:sc= -1.34! USER MOD Single : A 32 TYR OH : rot -60:sc= 1.23 USER MOD Single : A 33 ASN : amide:sc= -0.928 K(o=-0.93,f=-12!) USER MOD Single : A 34 ASN : amide:sc= -0.0233 X(o=-0.023,f=-0.5) USER MOD Single : A 35 GLN : amide:sc= -0.0227 X(o=-0.023,f=-0.24) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -1.93 K(o=-1.9,f=-3.2!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= -2.54! USER MOD Single : A 50 ASN : amide:sc= -3.48! C(o=-3.5!,f=-7.7!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -3.43! C(o=-3.4!,f=-6.6!) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.24! C(o=-3.4!,f=-1.2!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.36 USER MOD Single : A 61 LYS NZ :NH3+ -179:sc= -4.36! (180deg=-4.44!) USER MOD Single : A 62 ASN : amide:sc= -1.92 K(o=-1.9,f=-3.1) USER MOD Single : A 69 ASN : amide:sc= -0.518 X(o=-0.52,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.345 0.000 0.000 1.00 1.00 N ATOM 2 CA ASP A 1 2.115 0.000 -1.232 1.00 1.00 C ATOM 3 C ASP A 1 3.279 -0.985 -1.101 1.00 1.00 C ATOM 4 O ASP A 1 3.294 -1.754 -0.129 1.00 1.00 O ATOM 5 CB ASP A 1 2.698 1.385 -1.517 1.00 1.00 C ATOM 6 CG ASP A 1 1.963 2.547 -0.847 1.00 1.00 C ATOM 7 OD1 ASP A 1 0.930 2.981 -1.487 1.00 1.00 O ATOM 8 OD2 ASP A 1 2.356 3.014 0.233 1.00 1.00 O ATOM 0 H1 ASP A 1 0.448 0.505 -0.151 1.00 1.00 H new ATOM 0 H2 ASP A 1 1.147 -0.980 0.285 1.00 1.00 H new ATOM 0 H3 ASP A 1 1.888 0.475 0.749 1.00 1.00 H new ATOM 0 HA ASP A 1 1.449 -0.285 -2.046 1.00 1.00 H new ATOM 0 HB2 ASP A 1 3.739 1.398 -1.193 1.00 1.00 H new ATOM 0 HB3 ASP A 1 2.698 1.548 -2.595 1.00 1.00 H new ATOM 13 N TYR A 2 4.214 -0.943 -2.066 1.00 1.00 N ATOM 14 CA TYR A 2 5.343 -1.856 -2.003 1.00 1.00 C ATOM 15 C TYR A 2 6.174 -1.723 -3.280 1.00 1.00 C ATOM 16 O TYR A 2 7.037 -0.834 -3.324 1.00 1.00 O ATOM 17 CB TYR A 2 4.839 -3.296 -1.794 1.00 1.00 C ATOM 18 CG TYR A 2 3.408 -3.536 -2.255 1.00 1.00 C ATOM 19 CD1 TYR A 2 2.912 -2.870 -3.399 1.00 1.00 C ATOM 20 CD2 TYR A 2 2.569 -4.429 -1.549 1.00 1.00 C ATOM 21 CE1 TYR A 2 1.587 -3.091 -3.832 1.00 1.00 C ATOM 22 CE2 TYR A 2 1.244 -4.651 -1.982 1.00 1.00 C ATOM 23 CZ TYR A 2 0.752 -3.982 -3.124 1.00 1.00 C ATOM 24 OH TYR A 2 -0.530 -4.193 -3.546 1.00 1.00 O ATOM 0 H TYR A 2 4.205 -0.309 -2.865 1.00 1.00 H new ATOM 0 HA TYR A 2 5.982 -1.605 -1.156 1.00 1.00 H new ATOM 0 HB2 TYR A 2 5.499 -3.980 -2.328 1.00 1.00 H new ATOM 0 HB3 TYR A 2 4.913 -3.543 -0.735 1.00 1.00 H new ATOM 0 HD1 TYR A 2 3.549 -2.189 -3.944 1.00 1.00 H new ATOM 0 HD2 TYR A 2 2.943 -4.943 -0.676 1.00 1.00 H new ATOM 0 HE1 TYR A 2 1.212 -2.578 -4.705 1.00 1.00 H new ATOM 0 HE2 TYR A 2 0.606 -5.333 -1.439 1.00 1.00 H new ATOM 0 HH TYR A 2 -0.969 -4.835 -2.950 1.00 1.00 H new ATOM 34 N LYS A 3 5.914 -2.595 -4.271 1.00 1.00 N ATOM 35 CA LYS A 3 6.645 -2.574 -5.526 1.00 1.00 C ATOM 36 C LYS A 3 6.079 -1.472 -6.424 1.00 1.00 C ATOM 37 O LYS A 3 4.971 -1.651 -6.949 1.00 1.00 O ATOM 38 CB LYS A 3 6.635 -3.961 -6.174 1.00 1.00 C ATOM 39 CG LYS A 3 7.960 -4.687 -5.936 1.00 1.00 C ATOM 40 CD LYS A 3 9.050 -4.162 -6.874 1.00 1.00 C ATOM 41 CE LYS A 3 8.615 -4.276 -8.336 1.00 1.00 C ATOM 42 NZ LYS A 3 7.951 -5.568 -8.578 1.00 1.00 N ATOM 0 H LYS A 3 5.199 -3.320 -4.215 1.00 1.00 H new ATOM 0 HA LYS A 3 7.694 -2.335 -5.352 1.00 1.00 H new ATOM 0 HB2 LYS A 3 5.815 -4.551 -5.766 1.00 1.00 H new ATOM 0 HB3 LYS A 3 6.456 -3.865 -7.245 1.00 1.00 H new ATOM 0 HG2 LYS A 3 8.271 -4.553 -4.900 1.00 1.00 H new ATOM 0 HG3 LYS A 3 7.825 -5.757 -6.092 1.00 1.00 H new ATOM 0 HD2 LYS A 3 9.269 -3.121 -6.636 1.00 1.00 H new ATOM 0 HD3 LYS A 3 9.970 -4.725 -6.719 1.00 1.00 H new ATOM 0 HE2 LYS A 3 7.937 -3.460 -8.584 1.00 1.00 H new ATOM 0 HE3 LYS A 3 9.483 -4.179 -8.988 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 8.026 -5.813 -9.586 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 8.410 -6.306 -8.007 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 6.948 -5.498 -8.312 1.00 1.00 H new ATOM 56 N ASP A 4 6.839 -0.373 -6.579 1.00 1.00 N ATOM 57 CA ASP A 4 6.415 0.745 -7.405 1.00 1.00 C ATOM 58 C ASP A 4 7.450 0.981 -8.506 1.00 1.00 C ATOM 59 O ASP A 4 7.067 0.987 -9.685 1.00 1.00 O ATOM 60 CB ASP A 4 6.303 2.028 -6.579 1.00 1.00 C ATOM 61 CG ASP A 4 7.237 2.103 -5.370 1.00 1.00 C ATOM 62 OD1 ASP A 4 6.905 1.349 -4.377 1.00 1.00 O ATOM 63 OD2 ASP A 4 8.231 2.844 -5.376 1.00 1.00 O ATOM 0 H ASP A 4 7.750 -0.246 -6.137 1.00 1.00 H new ATOM 0 HA ASP A 4 5.440 0.502 -7.828 1.00 1.00 H new ATOM 0 HB2 ASP A 4 6.506 2.879 -7.229 1.00 1.00 H new ATOM 0 HB3 ASP A 4 5.275 2.130 -6.232 1.00 1.00 H new ATOM 68 N ASP A 5 8.721 1.168 -8.108 1.00 1.00 N ATOM 69 CA ASP A 5 9.799 1.401 -9.054 1.00 1.00 C ATOM 70 C ASP A 5 9.777 2.866 -9.494 1.00 1.00 C ATOM 71 O ASP A 5 8.687 3.376 -9.793 1.00 1.00 O ATOM 72 CB ASP A 5 9.634 0.531 -10.302 1.00 1.00 C ATOM 73 CG ASP A 5 9.145 -0.894 -10.036 1.00 1.00 C ATOM 74 OD1 ASP A 5 9.892 -1.589 -9.246 1.00 1.00 O ATOM 75 OD2 ASP A 5 8.103 -1.319 -10.557 1.00 1.00 O ATOM 0 H ASP A 5 9.016 1.160 -7.132 1.00 1.00 H new ATOM 0 HA ASP A 5 10.739 1.152 -8.562 1.00 1.00 H new ATOM 0 HB2 ASP A 5 8.932 1.020 -10.977 1.00 1.00 H new ATOM 0 HB3 ASP A 5 10.592 0.480 -10.820 1.00 1.00 H new ATOM 80 N ASP A 6 10.961 3.504 -9.525 1.00 1.00 N ATOM 81 CA ASP A 6 11.076 4.896 -9.924 1.00 1.00 C ATOM 82 C ASP A 6 10.241 5.131 -11.184 1.00 1.00 C ATOM 83 O ASP A 6 9.960 4.156 -11.896 1.00 1.00 O ATOM 84 CB ASP A 6 12.528 5.259 -10.245 1.00 1.00 C ATOM 85 CG ASP A 6 12.705 6.481 -11.147 1.00 1.00 C ATOM 86 OD1 ASP A 6 12.577 6.391 -12.378 1.00 1.00 O ATOM 87 OD2 ASP A 6 12.989 7.578 -10.531 1.00 1.00 O ATOM 0 H ASP A 6 11.848 3.066 -9.275 1.00 1.00 H new ATOM 0 HA ASP A 6 10.724 5.514 -9.098 1.00 1.00 H new ATOM 0 HB2 ASP A 6 13.057 5.437 -9.309 1.00 1.00 H new ATOM 0 HB3 ASP A 6 13.004 4.402 -10.722 1.00 1.00 H new ATOM 92 N ASP A 7 9.867 6.400 -11.431 1.00 1.00 N ATOM 93 CA ASP A 7 9.073 6.756 -12.594 1.00 1.00 C ATOM 94 C ASP A 7 7.591 6.541 -12.279 1.00 1.00 C ATOM 95 O ASP A 7 6.819 6.288 -13.216 1.00 1.00 O ATOM 96 CB ASP A 7 9.432 5.881 -13.796 1.00 1.00 C ATOM 97 CG ASP A 7 9.192 6.527 -15.162 1.00 1.00 C ATOM 98 OD1 ASP A 7 9.959 7.398 -15.600 1.00 1.00 O ATOM 99 OD2 ASP A 7 8.152 6.098 -15.793 1.00 1.00 O ATOM 0 H ASP A 7 10.109 7.189 -10.832 1.00 1.00 H new ATOM 0 HA ASP A 7 9.277 7.799 -12.834 1.00 1.00 H new ATOM 0 HB2 ASP A 7 10.483 5.603 -13.722 1.00 1.00 H new ATOM 0 HB3 ASP A 7 8.854 4.959 -13.741 1.00 1.00 H new ATOM 104 N LYS A 8 7.228 6.645 -10.988 1.00 1.00 N ATOM 105 CA LYS A 8 5.853 6.463 -10.557 1.00 1.00 C ATOM 106 C LYS A 8 5.191 7.832 -10.387 1.00 1.00 C ATOM 107 O LYS A 8 4.478 8.262 -11.306 1.00 1.00 O ATOM 108 CB LYS A 8 5.796 5.592 -9.301 1.00 1.00 C ATOM 109 CG LYS A 8 5.068 4.276 -9.579 1.00 1.00 C ATOM 110 CD LYS A 8 4.226 3.850 -8.374 1.00 1.00 C ATOM 111 CE LYS A 8 2.757 4.232 -8.569 1.00 1.00 C ATOM 112 NZ LYS A 8 1.886 3.349 -7.777 1.00 1.00 N ATOM 0 H LYS A 8 7.879 6.855 -10.232 1.00 1.00 H new ATOM 0 HA LYS A 8 5.284 5.925 -11.315 1.00 1.00 H new ATOM 0 HB2 LYS A 8 6.807 5.385 -8.951 1.00 1.00 H new ATOM 0 HB3 LYS A 8 5.287 6.132 -8.503 1.00 1.00 H new ATOM 0 HG2 LYS A 8 4.427 4.388 -10.453 1.00 1.00 H new ATOM 0 HG3 LYS A 8 5.794 3.497 -9.814 1.00 1.00 H new ATOM 0 HD2 LYS A 8 4.309 2.773 -8.230 1.00 1.00 H new ATOM 0 HD3 LYS A 8 4.612 4.323 -7.471 1.00 1.00 H new ATOM 0 HE2 LYS A 8 2.602 5.269 -8.270 1.00 1.00 H new ATOM 0 HE3 LYS A 8 2.494 4.161 -9.624 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 0.893 3.622 -7.921 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 2.022 2.364 -8.081 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 2.127 3.437 -6.769 1.00 1.00 H new ATOM 126 N LEU A 9 5.435 8.480 -9.233 1.00 1.00 N ATOM 127 CA LEU A 9 4.867 9.786 -8.948 1.00 1.00 C ATOM 128 C LEU A 9 5.996 10.808 -8.804 1.00 1.00 C ATOM 129 O LEU A 9 5.816 11.785 -8.062 1.00 1.00 O ATOM 130 CB LEU A 9 3.943 9.715 -7.731 1.00 1.00 C ATOM 131 CG LEU A 9 2.735 10.654 -7.749 1.00 1.00 C ATOM 132 CD1 LEU A 9 1.762 10.273 -8.866 1.00 1.00 C ATOM 133 CD2 LEU A 9 2.051 10.693 -6.381 1.00 1.00 C ATOM 0 H LEU A 9 6.025 8.109 -8.488 1.00 1.00 H new ATOM 0 HA LEU A 9 4.240 10.117 -9.776 1.00 1.00 H new ATOM 0 HB2 LEU A 9 3.581 8.691 -7.634 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.532 9.930 -6.840 1.00 1.00 H new ATOM 0 HG LEU A 9 3.089 11.663 -7.961 1.00 1.00 H new ATOM 0 HD11 LEU A 9 0.912 10.956 -8.857 1.00 1.00 H new ATOM 0 HD12 LEU A 9 2.270 10.338 -9.828 1.00 1.00 H new ATOM 0 HD13 LEU A 9 1.410 9.253 -8.710 1.00 1.00 H new ATOM 0 HD21 LEU A 9 1.196 11.368 -6.421 1.00 1.00 H new ATOM 0 HD22 LEU A 9 1.711 9.692 -6.115 1.00 1.00 H new ATOM 0 HD23 LEU A 9 2.758 11.047 -5.631 1.00 1.00 H new ATOM 145 N LYS A 10 7.119 10.568 -9.504 1.00 1.00 N ATOM 146 CA LYS A 10 8.264 11.461 -9.454 1.00 1.00 C ATOM 147 C LYS A 10 8.840 11.465 -8.036 1.00 1.00 C ATOM 148 O LYS A 10 8.075 11.234 -7.089 1.00 1.00 O ATOM 149 CB LYS A 10 7.882 12.851 -9.967 1.00 1.00 C ATOM 150 CG LYS A 10 8.750 13.253 -11.160 1.00 1.00 C ATOM 151 CD LYS A 10 9.171 14.721 -11.062 1.00 1.00 C ATOM 152 CE LYS A 10 8.150 15.631 -11.747 1.00 1.00 C ATOM 153 NZ LYS A 10 8.232 15.489 -13.210 1.00 1.00 N ATOM 0 H LYS A 10 7.247 9.757 -10.110 1.00 1.00 H new ATOM 0 HA LYS A 10 9.053 11.107 -10.118 1.00 1.00 H new ATOM 0 HB2 LYS A 10 6.832 12.859 -10.258 1.00 1.00 H new ATOM 0 HB3 LYS A 10 7.997 13.582 -9.167 1.00 1.00 H new ATOM 0 HG2 LYS A 10 9.636 12.619 -11.200 1.00 1.00 H new ATOM 0 HG3 LYS A 10 8.199 13.090 -12.086 1.00 1.00 H new ATOM 0 HD2 LYS A 10 9.271 15.005 -10.014 1.00 1.00 H new ATOM 0 HD3 LYS A 10 10.149 14.854 -11.524 1.00 1.00 H new ATOM 0 HE2 LYS A 10 7.145 15.380 -11.407 1.00 1.00 H new ATOM 0 HE3 LYS A 10 8.332 16.668 -11.466 1.00 1.00 H new ATOM 0 HZ1 LYS A 10 7.833 16.336 -13.664 1.00 1.00 H new ATOM 0 HZ2 LYS A 10 9.227 15.380 -13.493 1.00 1.00 H new ATOM 0 HZ3 LYS A 10 7.694 14.651 -13.508 1.00 1.00 H new ATOM 167 N PRO A 11 10.155 11.724 -7.921 1.00 1.00 N ATOM 168 CA PRO A 11 10.856 11.766 -6.649 1.00 1.00 C ATOM 169 C PRO A 11 10.438 12.990 -5.833 1.00 1.00 C ATOM 170 O PRO A 11 10.870 14.102 -6.173 1.00 1.00 O ATOM 171 CB PRO A 11 12.332 11.771 -7.014 1.00 1.00 C ATOM 172 CG PRO A 11 12.400 12.200 -8.470 1.00 1.00 C ATOM 173 CD PRO A 11 10.999 12.104 -9.051 1.00 1.00 C ATOM 0 HA PRO A 11 10.620 10.915 -6.010 1.00 1.00 H new ATOM 0 HB2 PRO A 11 12.889 12.459 -6.378 1.00 1.00 H new ATOM 0 HB3 PRO A 11 12.771 10.783 -6.877 1.00 1.00 H new ATOM 0 HG2 PRO A 11 12.777 13.219 -8.550 1.00 1.00 H new ATOM 0 HG3 PRO A 11 13.088 11.561 -9.024 1.00 1.00 H new ATOM 0 HD2 PRO A 11 10.682 13.055 -9.480 1.00 1.00 H new ATOM 0 HD3 PRO A 11 10.951 11.362 -9.848 1.00 1.00 H new ATOM 181 N ASP A 12 9.619 12.767 -4.789 1.00 1.00 N ATOM 182 CA ASP A 12 9.149 13.845 -3.935 1.00 1.00 C ATOM 183 C ASP A 12 10.345 14.490 -3.231 1.00 1.00 C ATOM 184 O ASP A 12 10.275 15.691 -2.931 1.00 1.00 O ATOM 185 CB ASP A 12 8.195 13.319 -2.861 1.00 1.00 C ATOM 186 CG ASP A 12 7.632 14.385 -1.918 1.00 1.00 C ATOM 187 OD1 ASP A 12 8.379 15.204 -1.361 1.00 1.00 O ATOM 188 OD2 ASP A 12 6.352 14.355 -1.763 1.00 1.00 O ATOM 0 H ASP A 12 9.275 11.844 -4.526 1.00 1.00 H new ATOM 0 HA ASP A 12 8.625 14.568 -4.560 1.00 1.00 H new ATOM 0 HB2 ASP A 12 7.363 12.813 -3.351 1.00 1.00 H new ATOM 0 HB3 ASP A 12 8.718 12.570 -2.267 1.00 1.00 H new ATOM 193 N PHE A 13 11.401 13.694 -2.986 1.00 1.00 N ATOM 194 CA PHE A 13 12.598 14.184 -2.324 1.00 1.00 C ATOM 195 C PHE A 13 13.153 15.379 -3.103 1.00 1.00 C ATOM 196 O PHE A 13 13.824 16.222 -2.490 1.00 1.00 O ATOM 197 CB PHE A 13 13.638 13.049 -2.250 1.00 1.00 C ATOM 198 CG PHE A 13 14.285 12.693 -3.581 1.00 1.00 C ATOM 199 CD1 PHE A 13 15.166 13.601 -4.213 1.00 1.00 C ATOM 200 CD2 PHE A 13 14.003 11.451 -4.196 1.00 1.00 C ATOM 201 CE1 PHE A 13 15.761 13.269 -5.449 1.00 1.00 C ATOM 202 CE2 PHE A 13 14.599 11.120 -5.432 1.00 1.00 C ATOM 203 CZ PHE A 13 15.478 12.029 -6.058 1.00 1.00 C ATOM 0 H PHE A 13 11.438 12.707 -3.242 1.00 1.00 H new ATOM 0 HA PHE A 13 12.362 14.508 -1.310 1.00 1.00 H new ATOM 0 HB2 PHE A 13 14.420 13.336 -1.547 1.00 1.00 H new ATOM 0 HB3 PHE A 13 13.156 12.159 -1.846 1.00 1.00 H new ATOM 0 HD1 PHE A 13 15.384 14.551 -3.748 1.00 1.00 H new ATOM 0 HD2 PHE A 13 13.330 10.754 -3.719 1.00 1.00 H new ATOM 0 HE1 PHE A 13 16.433 13.965 -5.929 1.00 1.00 H new ATOM 0 HE2 PHE A 13 14.382 10.171 -5.899 1.00 1.00 H new ATOM 0 HZ PHE A 13 15.934 11.775 -7.004 1.00 1.00 H new ATOM 213 N CYS A 14 12.867 15.427 -4.417 1.00 1.00 N ATOM 214 CA CYS A 14 13.334 16.508 -5.267 1.00 1.00 C ATOM 215 C CYS A 14 12.689 17.820 -4.817 1.00 1.00 C ATOM 216 O CYS A 14 13.376 18.852 -4.837 1.00 1.00 O ATOM 217 CB CYS A 14 13.054 16.210 -6.742 1.00 1.00 C ATOM 218 SG CYS A 14 14.220 15.056 -7.521 1.00 1.00 S ATOM 0 H CYS A 14 12.312 14.722 -4.903 1.00 1.00 H new ATOM 0 HA CYS A 14 14.415 16.603 -5.169 1.00 1.00 H new ATOM 0 HB2 CYS A 14 12.047 15.802 -6.831 1.00 1.00 H new ATOM 0 HB3 CYS A 14 13.068 17.148 -7.297 1.00 1.00 H new ATOM 0 HG CYS A 14 15.144 15.726 -8.143 1.00 1.00 H new ATOM 224 N PHE A 15 11.403 17.757 -4.427 1.00 1.00 N ATOM 225 CA PHE A 15 10.676 18.931 -3.977 1.00 1.00 C ATOM 226 C PHE A 15 10.926 19.139 -2.482 1.00 1.00 C ATOM 227 O PHE A 15 10.268 20.007 -1.889 1.00 1.00 O ATOM 228 CB PHE A 15 9.173 18.736 -4.259 1.00 1.00 C ATOM 229 CG PHE A 15 8.860 18.002 -5.555 1.00 1.00 C ATOM 230 CD1 PHE A 15 9.298 18.522 -6.795 1.00 1.00 C ATOM 231 CD2 PHE A 15 8.122 16.796 -5.525 1.00 1.00 C ATOM 232 CE1 PHE A 15 9.002 17.840 -7.995 1.00 1.00 C ATOM 233 CE2 PHE A 15 7.826 16.115 -6.726 1.00 1.00 C ATOM 234 CZ PHE A 15 8.266 16.636 -7.960 1.00 1.00 C ATOM 0 H PHE A 15 10.855 16.897 -4.419 1.00 1.00 H new ATOM 0 HA PHE A 15 11.020 19.815 -4.513 1.00 1.00 H new ATOM 0 HB2 PHE A 15 8.730 18.185 -3.429 1.00 1.00 H new ATOM 0 HB3 PHE A 15 8.692 19.714 -4.286 1.00 1.00 H new ATOM 0 HD1 PHE A 15 9.861 19.443 -6.824 1.00 1.00 H new ATOM 0 HD2 PHE A 15 7.784 16.395 -4.581 1.00 1.00 H new ATOM 0 HE1 PHE A 15 9.339 18.240 -8.940 1.00 1.00 H new ATOM 0 HE2 PHE A 15 7.262 15.194 -6.699 1.00 1.00 H new ATOM 0 HZ PHE A 15 8.040 16.114 -8.878 1.00 1.00 H new ATOM 244 N LEU A 16 11.856 18.352 -1.912 1.00 1.00 N ATOM 245 CA LEU A 16 12.187 18.450 -0.501 1.00 1.00 C ATOM 246 C LEU A 16 13.167 19.606 -0.290 1.00 1.00 C ATOM 247 O LEU A 16 13.833 19.999 -1.260 1.00 1.00 O ATOM 248 CB LEU A 16 12.699 17.107 0.023 1.00 1.00 C ATOM 249 CG LEU A 16 12.439 16.822 1.504 1.00 1.00 C ATOM 250 CD1 LEU A 16 11.553 15.586 1.677 1.00 1.00 C ATOM 251 CD2 LEU A 16 13.753 16.697 2.278 1.00 1.00 C ATOM 0 H LEU A 16 12.386 17.643 -2.418 1.00 1.00 H new ATOM 0 HA LEU A 16 11.296 18.676 0.084 1.00 1.00 H new ATOM 0 HB2 LEU A 16 12.242 16.312 -0.565 1.00 1.00 H new ATOM 0 HB3 LEU A 16 13.773 17.056 -0.153 1.00 1.00 H new ATOM 0 HG LEU A 16 11.897 17.669 1.924 1.00 1.00 H new ATOM 0 HD11 LEU A 16 11.384 15.405 2.739 1.00 1.00 H new ATOM 0 HD12 LEU A 16 10.597 15.751 1.180 1.00 1.00 H new ATOM 0 HD13 LEU A 16 12.047 14.720 1.236 1.00 1.00 H new ATOM 0 HD21 LEU A 16 13.539 16.495 3.327 1.00 1.00 H new ATOM 0 HD22 LEU A 16 14.343 15.880 1.864 1.00 1.00 H new ATOM 0 HD23 LEU A 16 14.314 17.628 2.195 1.00 1.00 H new ATOM 263 N GLU A 17 13.236 20.118 0.951 1.00 1.00 N ATOM 264 CA GLU A 17 14.126 21.218 1.282 1.00 1.00 C ATOM 265 C GLU A 17 15.577 20.744 1.174 1.00 1.00 C ATOM 266 O GLU A 17 15.847 19.587 1.528 1.00 1.00 O ATOM 267 CB GLU A 17 13.835 21.777 2.676 1.00 1.00 C ATOM 268 CG GLU A 17 12.339 21.713 2.991 1.00 1.00 C ATOM 269 CD GLU A 17 11.947 22.782 4.013 1.00 1.00 C ATOM 270 OE1 GLU A 17 11.730 23.945 3.641 1.00 1.00 O ATOM 271 OE2 GLU A 17 11.871 22.370 5.232 1.00 1.00 O ATOM 0 H GLU A 17 12.680 19.779 1.736 1.00 1.00 H new ATOM 0 HA GLU A 17 13.958 22.029 0.573 1.00 1.00 H new ATOM 0 HB2 GLU A 17 14.392 21.211 3.422 1.00 1.00 H new ATOM 0 HB3 GLU A 17 14.179 22.809 2.737 1.00 1.00 H new ATOM 0 HG2 GLU A 17 11.765 21.853 2.075 1.00 1.00 H new ATOM 0 HG3 GLU A 17 12.087 20.726 3.378 1.00 1.00 H new ATOM 278 N GLU A 18 16.467 21.631 0.695 1.00 1.00 N ATOM 279 CA GLU A 18 17.875 21.305 0.543 1.00 1.00 C ATOM 280 C GLU A 18 18.417 20.773 1.872 1.00 1.00 C ATOM 281 O GLU A 18 17.967 21.248 2.924 1.00 1.00 O ATOM 282 CB GLU A 18 18.683 22.513 0.066 1.00 1.00 C ATOM 283 CG GLU A 18 19.149 23.363 1.249 1.00 1.00 C ATOM 284 CD GLU A 18 19.155 24.850 0.888 1.00 1.00 C ATOM 285 OE1 GLU A 18 19.260 25.104 -0.373 1.00 1.00 O ATOM 286 OE2 GLU A 18 19.063 25.706 1.780 1.00 1.00 O ATOM 0 H GLU A 18 16.224 22.579 0.409 1.00 1.00 H new ATOM 0 HA GLU A 18 17.975 20.534 -0.221 1.00 1.00 H new ATOM 0 HB2 GLU A 18 19.547 22.174 -0.506 1.00 1.00 H new ATOM 0 HB3 GLU A 18 18.075 23.120 -0.605 1.00 1.00 H new ATOM 0 HG2 GLU A 18 18.492 23.195 2.103 1.00 1.00 H new ATOM 0 HG3 GLU A 18 20.150 23.055 1.551 1.00 1.00 H new ATOM 293 N ASP A 19 19.356 19.814 1.798 1.00 1.00 N ATOM 294 CA ASP A 19 19.951 19.226 2.985 1.00 1.00 C ATOM 295 C ASP A 19 21.457 19.058 2.767 1.00 1.00 C ATOM 296 O ASP A 19 21.845 18.176 1.987 1.00 1.00 O ATOM 297 CB ASP A 19 19.359 17.844 3.272 1.00 1.00 C ATOM 298 CG ASP A 19 20.263 16.907 4.075 1.00 1.00 C ATOM 299 OD1 ASP A 19 20.999 17.486 4.962 1.00 1.00 O ATOM 300 OD2 ASP A 19 20.265 15.685 3.863 1.00 1.00 O ATOM 0 H ASP A 19 19.712 19.436 0.920 1.00 1.00 H new ATOM 0 HA ASP A 19 19.747 19.888 3.826 1.00 1.00 H new ATOM 0 HB2 ASP A 19 18.422 17.972 3.813 1.00 1.00 H new ATOM 0 HB3 ASP A 19 19.116 17.365 2.323 1.00 1.00 H new ATOM 305 N PRO A 20 22.260 19.895 3.448 1.00 1.00 N ATOM 306 CA PRO A 20 23.710 19.868 3.355 1.00 1.00 C ATOM 307 C PRO A 20 24.296 18.759 4.231 1.00 1.00 C ATOM 308 O PRO A 20 25.497 18.481 4.104 1.00 1.00 O ATOM 309 CB PRO A 20 24.157 21.258 3.777 1.00 1.00 C ATOM 310 CG PRO A 20 22.984 21.861 4.533 1.00 1.00 C ATOM 311 CD PRO A 20 21.761 21.002 4.259 1.00 1.00 C ATOM 0 HA PRO A 20 24.063 19.639 2.349 1.00 1.00 H new ATOM 0 HB2 PRO A 20 25.044 21.208 4.408 1.00 1.00 H new ATOM 0 HB3 PRO A 20 24.416 21.865 2.910 1.00 1.00 H new ATOM 0 HG2 PRO A 20 23.195 21.894 5.602 1.00 1.00 H new ATOM 0 HG3 PRO A 20 22.809 22.887 4.211 1.00 1.00 H new ATOM 0 HD2 PRO A 20 21.313 20.643 5.186 1.00 1.00 H new ATOM 0 HD3 PRO A 20 20.992 21.565 3.730 1.00 1.00 H new ATOM 319 N GLY A 21 23.451 18.159 5.088 1.00 1.00 N ATOM 320 CA GLY A 21 23.883 17.092 5.975 1.00 1.00 C ATOM 321 C GLY A 21 24.452 17.701 7.258 1.00 1.00 C ATOM 322 O GLY A 21 24.255 18.904 7.478 1.00 1.00 O ATOM 0 H GLY A 21 22.465 18.404 5.177 1.00 1.00 H new ATOM 0 HA2 GLY A 21 23.044 16.437 6.210 1.00 1.00 H new ATOM 0 HA3 GLY A 21 24.638 16.478 5.484 1.00 1.00 H new ATOM 326 N ILE A 22 25.136 16.871 8.066 1.00 1.00 N ATOM 327 CA ILE A 22 25.727 17.324 9.313 1.00 1.00 C ATOM 328 C ILE A 22 27.219 17.587 9.100 1.00 1.00 C ATOM 329 O ILE A 22 27.607 18.762 9.026 1.00 1.00 O ATOM 330 CB ILE A 22 25.433 16.330 10.438 1.00 1.00 C ATOM 331 CG1 ILE A 22 24.355 15.329 10.017 1.00 1.00 C ATOM 332 CG2 ILE A 22 25.063 17.059 11.732 1.00 1.00 C ATOM 333 CD1 ILE A 22 23.685 14.698 11.239 1.00 1.00 C ATOM 0 H ILE A 22 25.287 15.882 7.866 1.00 1.00 H new ATOM 0 HA ILE A 22 25.278 18.267 9.626 1.00 1.00 H new ATOM 0 HB ILE A 22 26.341 15.761 10.637 1.00 1.00 H new ATOM 0 HG12 ILE A 22 23.605 15.832 9.406 1.00 1.00 H new ATOM 0 HG13 ILE A 22 24.799 14.549 9.398 1.00 1.00 H new ATOM 0 HG21 ILE A 22 24.859 16.329 12.515 1.00 1.00 H new ATOM 0 HG22 ILE A 22 25.891 17.699 12.039 1.00 1.00 H new ATOM 0 HG23 ILE A 22 24.176 17.669 11.565 1.00 1.00 H new ATOM 0 HD11 ILE A 22 22.923 13.991 10.912 1.00 1.00 H new ATOM 0 HD12 ILE A 22 24.433 14.175 11.835 1.00 1.00 H new ATOM 0 HD13 ILE A 22 23.221 15.478 11.843 1.00 1.00 H new ATOM 345 N CYS A 23 28.014 16.506 9.007 1.00 1.00 N ATOM 346 CA CYS A 23 29.448 16.619 8.804 1.00 1.00 C ATOM 347 C CYS A 23 29.729 17.728 7.787 1.00 1.00 C ATOM 348 O CYS A 23 29.711 17.440 6.581 1.00 1.00 O ATOM 349 CB CYS A 23 30.052 15.282 8.371 1.00 1.00 C ATOM 350 SG CYS A 23 29.051 14.343 7.180 1.00 1.00 S ATOM 0 H CYS A 23 27.675 15.546 9.071 1.00 1.00 H new ATOM 0 HA CYS A 23 29.925 16.885 9.747 1.00 1.00 H new ATOM 0 HB2 CYS A 23 31.033 15.467 7.933 1.00 1.00 H new ATOM 0 HB3 CYS A 23 30.209 14.667 9.257 1.00 1.00 H new ATOM 0 HG CYS A 23 29.822 13.556 6.490 1.00 1.00 H new ATOM 356 N ARG A 24 29.978 18.952 8.284 1.00 1.00 N ATOM 357 CA ARG A 24 30.259 20.090 7.425 1.00 1.00 C ATOM 358 C ARG A 24 31.147 19.639 6.264 1.00 1.00 C ATOM 359 O ARG A 24 31.741 18.555 6.362 1.00 1.00 O ATOM 360 CB ARG A 24 30.962 21.213 8.189 1.00 1.00 C ATOM 361 CG ARG A 24 32.007 20.649 9.154 1.00 1.00 C ATOM 362 CD ARG A 24 33.386 21.257 8.886 1.00 1.00 C ATOM 363 NE ARG A 24 34.140 21.380 10.153 1.00 1.00 N ATOM 364 CZ ARG A 24 35.433 21.761 10.231 1.00 1.00 C ATOM 365 NH1 ARG A 24 36.094 22.049 9.101 1.00 1.00 N ATOM 366 NH2 ARG A 24 36.046 21.849 11.419 1.00 1.00 N ATOM 0 H ARG A 24 29.988 19.168 9.281 1.00 1.00 H new ATOM 0 HA ARG A 24 29.310 20.475 7.053 1.00 1.00 H new ATOM 0 HB2 ARG A 24 31.442 21.892 7.484 1.00 1.00 H new ATOM 0 HB3 ARG A 24 30.227 21.796 8.744 1.00 1.00 H new ATOM 0 HG2 ARG A 24 31.708 20.856 10.181 1.00 1.00 H new ATOM 0 HG3 ARG A 24 32.057 19.565 9.049 1.00 1.00 H new ATOM 0 HD2 ARG A 24 33.938 20.632 8.184 1.00 1.00 H new ATOM 0 HD3 ARG A 24 33.276 22.237 8.422 1.00 1.00 H new ATOM 0 HE ARG A 24 33.652 21.163 11.022 1.00 1.00 H new ATOM 0 HH11 ARG A 24 35.620 21.979 8.201 1.00 1.00 H new ATOM 0 HH12 ARG A 24 37.071 22.338 9.141 1.00 1.00 H new ATOM 0 HH21 ARG A 24 35.536 21.627 12.274 1.00 1.00 H new ATOM 0 HH22 ARG A 24 37.023 22.138 11.469 1.00 1.00 H new ATOM 380 N GLY A 25 31.218 20.465 5.204 1.00 1.00 N ATOM 381 CA GLY A 25 32.026 20.153 4.037 1.00 1.00 C ATOM 382 C GLY A 25 31.309 20.646 2.779 1.00 1.00 C ATOM 383 O GLY A 25 30.811 19.806 2.016 1.00 1.00 O ATOM 0 H GLY A 25 30.720 21.353 5.143 1.00 1.00 H new ATOM 0 HA2 GLY A 25 33.004 20.626 4.121 1.00 1.00 H new ATOM 0 HA3 GLY A 25 32.196 19.078 3.975 1.00 1.00 H new ATOM 387 N TYR A 26 31.271 21.978 2.591 1.00 1.00 N ATOM 388 CA TYR A 26 30.601 22.511 1.417 1.00 1.00 C ATOM 389 C TYR A 26 31.286 21.977 0.157 1.00 1.00 C ATOM 390 O TYR A 26 32.510 22.141 0.046 1.00 1.00 O ATOM 391 CB TYR A 26 30.609 24.050 1.466 1.00 1.00 C ATOM 392 CG TYR A 26 30.005 24.645 2.730 1.00 1.00 C ATOM 393 CD1 TYR A 26 29.143 23.866 3.536 1.00 1.00 C ATOM 394 CD2 TYR A 26 30.306 25.973 3.111 1.00 1.00 C ATOM 395 CE1 TYR A 26 28.584 24.412 4.711 1.00 1.00 C ATOM 396 CE2 TYR A 26 29.747 26.519 4.285 1.00 1.00 C ATOM 397 CZ TYR A 26 28.884 25.739 5.087 1.00 1.00 C ATOM 398 OH TYR A 26 28.339 26.264 6.224 1.00 1.00 O ATOM 0 H TYR A 26 31.682 22.672 3.216 1.00 1.00 H new ATOM 0 HA TYR A 26 29.560 22.188 1.398 1.00 1.00 H new ATOM 0 HB2 TYR A 26 31.637 24.398 1.371 1.00 1.00 H new ATOM 0 HB3 TYR A 26 30.063 24.431 0.603 1.00 1.00 H new ATOM 0 HD1 TYR A 26 28.912 22.850 3.251 1.00 1.00 H new ATOM 0 HD2 TYR A 26 30.966 26.571 2.501 1.00 1.00 H new ATOM 0 HE1 TYR A 26 27.926 23.814 5.323 1.00 1.00 H new ATOM 0 HE2 TYR A 26 29.979 27.534 4.571 1.00 1.00 H new ATOM 0 HH TYR A 26 28.648 27.187 6.339 1.00 1.00 H new ATOM 408 N ILE A 27 30.506 21.354 -0.744 1.00 1.00 N ATOM 409 CA ILE A 27 31.044 20.795 -1.972 1.00 1.00 C ATOM 410 C ILE A 27 30.264 21.353 -3.165 1.00 1.00 C ATOM 411 O ILE A 27 30.252 20.700 -4.219 1.00 1.00 O ATOM 412 CB ILE A 27 31.056 19.267 -1.906 1.00 1.00 C ATOM 413 CG1 ILE A 27 31.429 18.782 -0.504 1.00 1.00 C ATOM 414 CG2 ILE A 27 31.973 18.678 -2.980 1.00 1.00 C ATOM 415 CD1 ILE A 27 30.236 18.111 0.180 1.00 1.00 C ATOM 0 H ILE A 27 29.500 21.231 -0.633 1.00 1.00 H new ATOM 0 HA ILE A 27 32.084 21.093 -2.102 1.00 1.00 H new ATOM 0 HB ILE A 27 30.048 18.908 -2.113 1.00 1.00 H new ATOM 0 HG12 ILE A 27 32.259 18.078 -0.568 1.00 1.00 H new ATOM 0 HG13 ILE A 27 31.771 19.625 0.097 1.00 1.00 H new ATOM 0 HG21 ILE A 27 31.963 17.590 -2.910 1.00 1.00 H new ATOM 0 HG22 ILE A 27 31.621 18.982 -3.966 1.00 1.00 H new ATOM 0 HG23 ILE A 27 32.990 19.042 -2.830 1.00 1.00 H new ATOM 0 HD11 ILE A 27 30.528 17.776 1.175 1.00 1.00 H new ATOM 0 HD12 ILE A 27 29.416 18.824 0.264 1.00 1.00 H new ATOM 0 HD13 ILE A 27 29.912 17.254 -0.411 1.00 1.00 H new ATOM 427 N THR A 28 29.639 22.529 -2.979 1.00 1.00 N ATOM 428 CA THR A 28 28.866 23.165 -4.032 1.00 1.00 C ATOM 429 C THR A 28 27.996 22.115 -4.725 1.00 1.00 C ATOM 430 O THR A 28 28.379 21.655 -5.811 1.00 1.00 O ATOM 431 CB THR A 28 29.829 23.879 -4.982 1.00 1.00 C ATOM 432 OG1 THR A 28 30.513 24.811 -4.148 1.00 1.00 O ATOM 433 CG2 THR A 28 29.102 24.757 -6.003 1.00 1.00 C ATOM 0 H THR A 28 29.661 23.050 -2.103 1.00 1.00 H new ATOM 0 HA THR A 28 28.187 23.918 -3.632 1.00 1.00 H new ATOM 0 HB THR A 28 30.436 23.140 -5.505 1.00 1.00 H new ATOM 0 HG1 THR A 28 31.159 25.316 -4.684 1.00 1.00 H new ATOM 0 HG21 THR A 28 29.832 25.241 -6.652 1.00 1.00 H new ATOM 0 HG22 THR A 28 28.434 24.140 -6.604 1.00 1.00 H new ATOM 0 HG23 THR A 28 28.521 25.517 -5.481 1.00 1.00 H new ATOM 441 N ARG A 29 26.861 21.762 -4.095 1.00 1.00 N ATOM 442 CA ARG A 29 25.948 20.776 -4.648 1.00 1.00 C ATOM 443 C ARG A 29 24.677 21.478 -5.130 1.00 1.00 C ATOM 444 O ARG A 29 24.473 22.644 -4.764 1.00 1.00 O ATOM 445 CB ARG A 29 25.575 19.711 -3.615 1.00 1.00 C ATOM 446 CG ARG A 29 26.812 18.940 -3.151 1.00 1.00 C ATOM 447 CD ARG A 29 27.474 18.211 -4.322 1.00 1.00 C ATOM 448 NE ARG A 29 28.666 17.471 -3.850 1.00 1.00 N ATOM 449 CZ ARG A 29 28.645 16.184 -3.440 1.00 1.00 C ATOM 450 NH1 ARG A 29 27.483 15.517 -3.455 1.00 1.00 N ATOM 451 NH2 ARG A 29 29.769 15.584 -3.026 1.00 1.00 N ATOM 0 H ARG A 29 26.564 22.153 -3.201 1.00 1.00 H new ATOM 0 HA ARG A 29 26.449 20.281 -5.480 1.00 1.00 H new ATOM 0 HB2 ARG A 29 25.094 20.183 -2.758 1.00 1.00 H new ATOM 0 HB3 ARG A 29 24.851 19.019 -4.046 1.00 1.00 H new ATOM 0 HG2 ARG A 29 27.525 19.628 -2.697 1.00 1.00 H new ATOM 0 HG3 ARG A 29 26.530 18.220 -2.383 1.00 1.00 H new ATOM 0 HD2 ARG A 29 26.765 17.521 -4.779 1.00 1.00 H new ATOM 0 HD3 ARG A 29 27.762 18.928 -5.091 1.00 1.00 H new ATOM 0 HE ARG A 29 29.559 17.964 -3.833 1.00 1.00 H new ATOM 0 HH11 ARG A 29 26.632 15.982 -3.773 1.00 1.00 H new ATOM 0 HH12 ARG A 29 27.449 14.545 -3.149 1.00 1.00 H new ATOM 0 HH21 ARG A 29 30.649 16.099 -3.019 1.00 1.00 H new ATOM 0 HH22 ARG A 29 29.745 14.612 -2.718 1.00 1.00 H new ATOM 465 N TYR A 30 23.861 20.765 -5.927 1.00 1.00 N ATOM 466 CA TYR A 30 22.639 21.376 -6.422 1.00 1.00 C ATOM 467 C TYR A 30 21.433 20.620 -5.861 1.00 1.00 C ATOM 468 O TYR A 30 21.615 19.475 -5.424 1.00 1.00 O ATOM 469 CB TYR A 30 22.646 21.384 -7.962 1.00 1.00 C ATOM 470 CG TYR A 30 23.834 22.104 -8.584 1.00 1.00 C ATOM 471 CD1 TYR A 30 25.146 21.610 -8.401 1.00 1.00 C ATOM 472 CD2 TYR A 30 23.630 23.277 -9.346 1.00 1.00 C ATOM 473 CE1 TYR A 30 26.244 22.282 -8.977 1.00 1.00 C ATOM 474 CE2 TYR A 30 24.728 23.950 -9.922 1.00 1.00 C ATOM 475 CZ TYR A 30 26.036 23.453 -9.739 1.00 1.00 C ATOM 476 OH TYR A 30 27.097 24.106 -10.300 1.00 1.00 O ATOM 0 H TYR A 30 24.025 19.804 -6.227 1.00 1.00 H new ATOM 0 HA TYR A 30 22.574 22.412 -6.089 1.00 1.00 H new ATOM 0 HB2 TYR A 30 22.635 20.354 -8.318 1.00 1.00 H new ATOM 0 HB3 TYR A 30 21.728 21.853 -8.314 1.00 1.00 H new ATOM 0 HD1 TYR A 30 25.308 20.715 -7.818 1.00 1.00 H new ATOM 0 HD2 TYR A 30 22.630 23.659 -9.488 1.00 1.00 H new ATOM 0 HE1 TYR A 30 27.245 21.901 -8.835 1.00 1.00 H new ATOM 0 HE2 TYR A 30 24.567 24.846 -10.503 1.00 1.00 H new ATOM 0 HH TYR A 30 26.773 24.737 -10.976 1.00 1.00 H new ATOM 486 N PHE A 31 20.251 21.262 -5.874 1.00 1.00 N ATOM 487 CA PHE A 31 19.037 20.651 -5.359 1.00 1.00 C ATOM 488 C PHE A 31 17.823 21.281 -6.045 1.00 1.00 C ATOM 489 O PHE A 31 17.875 22.482 -6.349 1.00 1.00 O ATOM 490 CB PHE A 31 18.972 20.860 -3.833 1.00 1.00 C ATOM 491 CG PHE A 31 18.484 22.236 -3.401 1.00 1.00 C ATOM 492 CD1 PHE A 31 19.335 23.359 -3.520 1.00 1.00 C ATOM 493 CD2 PHE A 31 17.178 22.401 -2.884 1.00 1.00 C ATOM 494 CE1 PHE A 31 18.884 24.636 -3.124 1.00 1.00 C ATOM 495 CE2 PHE A 31 16.728 23.679 -2.488 1.00 1.00 C ATOM 496 CZ PHE A 31 17.581 24.796 -2.608 1.00 1.00 C ATOM 0 H PHE A 31 20.123 22.206 -6.239 1.00 1.00 H new ATOM 0 HA PHE A 31 19.037 19.581 -5.566 1.00 1.00 H new ATOM 0 HB2 PHE A 31 18.314 20.105 -3.404 1.00 1.00 H new ATOM 0 HB3 PHE A 31 19.964 20.693 -3.414 1.00 1.00 H new ATOM 0 HD1 PHE A 31 20.333 23.239 -3.915 1.00 1.00 H new ATOM 0 HD2 PHE A 31 16.523 21.547 -2.792 1.00 1.00 H new ATOM 0 HE1 PHE A 31 19.537 25.491 -3.216 1.00 1.00 H new ATOM 0 HE2 PHE A 31 15.730 23.802 -2.093 1.00 1.00 H new ATOM 0 HZ PHE A 31 17.236 25.774 -2.305 1.00 1.00 H new ATOM 506 N TYR A 32 16.773 20.473 -6.272 1.00 1.00 N ATOM 507 CA TYR A 32 15.590 21.009 -6.924 1.00 1.00 C ATOM 508 C TYR A 32 14.749 21.771 -5.898 1.00 1.00 C ATOM 509 O TYR A 32 14.229 21.126 -4.976 1.00 1.00 O ATOM 510 CB TYR A 32 14.795 19.867 -7.583 1.00 1.00 C ATOM 511 CG TYR A 32 13.818 20.318 -8.660 1.00 1.00 C ATOM 512 CD1 TYR A 32 14.256 20.504 -9.991 1.00 1.00 C ATOM 513 CD2 TYR A 32 12.464 20.558 -8.330 1.00 1.00 C ATOM 514 CE1 TYR A 32 13.347 20.926 -10.985 1.00 1.00 C ATOM 515 CE2 TYR A 32 11.555 20.979 -9.323 1.00 1.00 C ATOM 516 CZ TYR A 32 11.995 21.162 -10.652 1.00 1.00 C ATOM 517 OH TYR A 32 11.111 21.569 -11.611 1.00 1.00 O ATOM 0 H TYR A 32 16.727 19.485 -6.021 1.00 1.00 H new ATOM 0 HA TYR A 32 15.877 21.706 -7.711 1.00 1.00 H new ATOM 0 HB2 TYR A 32 15.497 19.158 -8.021 1.00 1.00 H new ATOM 0 HB3 TYR A 32 14.243 19.332 -6.810 1.00 1.00 H new ATOM 0 HD1 TYR A 32 15.289 20.323 -10.248 1.00 1.00 H new ATOM 0 HD2 TYR A 32 12.125 20.418 -7.314 1.00 1.00 H new ATOM 0 HE1 TYR A 32 13.686 21.068 -12.001 1.00 1.00 H new ATOM 0 HE2 TYR A 32 10.522 21.161 -9.067 1.00 1.00 H new ATOM 0 HH TYR A 32 11.411 22.421 -11.992 1.00 1.00 H new ATOM 527 N ASN A 33 14.640 23.101 -6.067 1.00 1.00 N ATOM 528 CA ASN A 33 13.878 23.934 -5.152 1.00 1.00 C ATOM 529 C ASN A 33 12.481 24.172 -5.730 1.00 1.00 C ATOM 530 O ASN A 33 12.387 24.709 -6.843 1.00 1.00 O ATOM 531 CB ASN A 33 14.547 25.295 -4.957 1.00 1.00 C ATOM 532 CG ASN A 33 13.644 26.243 -4.164 1.00 1.00 C ATOM 533 OD1 ASN A 33 12.691 25.838 -3.519 1.00 1.00 O ATOM 534 ND2 ASN A 33 13.996 27.522 -4.248 1.00 1.00 N ATOM 0 H ASN A 33 15.076 23.612 -6.835 1.00 1.00 H new ATOM 0 HA ASN A 33 13.824 23.419 -4.193 1.00 1.00 H new ATOM 0 HB2 ASN A 33 15.494 25.167 -4.433 1.00 1.00 H new ATOM 0 HB3 ASN A 33 14.777 25.734 -5.928 1.00 1.00 H new ATOM 0 HD21 ASN A 33 13.456 28.233 -3.754 1.00 1.00 H new ATOM 0 HD22 ASN A 33 14.806 27.792 -4.806 1.00 1.00 H new ATOM 541 N ASN A 34 11.441 23.775 -4.975 1.00 1.00 N ATOM 542 CA ASN A 34 10.065 23.944 -5.409 1.00 1.00 C ATOM 543 C ASN A 34 9.752 25.437 -5.527 1.00 1.00 C ATOM 544 O ASN A 34 8.990 25.810 -6.431 1.00 1.00 O ATOM 545 CB ASN A 34 9.090 23.335 -4.399 1.00 1.00 C ATOM 546 CG ASN A 34 7.655 23.785 -4.683 1.00 1.00 C ATOM 547 OD1 ASN A 34 7.194 23.799 -5.812 1.00 1.00 O ATOM 548 ND2 ASN A 34 6.979 24.150 -3.598 1.00 1.00 N ATOM 0 H ASN A 34 11.540 23.335 -4.060 1.00 1.00 H new ATOM 0 HA ASN A 34 9.950 23.441 -6.369 1.00 1.00 H new ATOM 0 HB2 ASN A 34 9.149 22.247 -4.441 1.00 1.00 H new ATOM 0 HB3 ASN A 34 9.375 23.631 -3.389 1.00 1.00 H new ATOM 0 HD21 ASN A 34 6.013 24.466 -3.681 1.00 1.00 H new ATOM 0 HD22 ASN A 34 7.426 24.114 -2.682 1.00 1.00 H new ATOM 555 N GLN A 35 10.336 26.248 -4.627 1.00 1.00 N ATOM 556 CA GLN A 35 10.121 27.685 -4.630 1.00 1.00 C ATOM 557 C GLN A 35 10.552 28.257 -5.983 1.00 1.00 C ATOM 558 O GLN A 35 10.119 29.370 -6.317 1.00 1.00 O ATOM 559 CB GLN A 35 10.868 28.368 -3.483 1.00 1.00 C ATOM 560 CG GLN A 35 9.905 29.161 -2.597 1.00 1.00 C ATOM 561 CD GLN A 35 10.481 30.537 -2.256 1.00 1.00 C ATOM 562 OE1 GLN A 35 11.672 30.707 -2.057 1.00 1.00 O ATOM 563 NE2 GLN A 35 9.571 31.505 -2.198 1.00 1.00 N ATOM 0 H GLN A 35 10.961 25.920 -3.890 1.00 1.00 H new ATOM 0 HA GLN A 35 9.060 27.880 -4.477 1.00 1.00 H new ATOM 0 HB2 GLN A 35 11.386 27.619 -2.884 1.00 1.00 H new ATOM 0 HB3 GLN A 35 11.630 29.035 -3.887 1.00 1.00 H new ATOM 0 HG2 GLN A 35 8.949 29.279 -3.107 1.00 1.00 H new ATOM 0 HG3 GLN A 35 9.710 28.607 -1.679 1.00 1.00 H new ATOM 0 HE21 GLN A 35 8.589 31.293 -2.376 1.00 1.00 H new ATOM 0 HE22 GLN A 35 9.855 32.459 -1.976 1.00 1.00 H new ATOM 572 N THR A 36 11.382 27.499 -6.721 1.00 1.00 N ATOM 573 CA THR A 36 11.864 27.928 -8.023 1.00 1.00 C ATOM 574 C THR A 36 11.620 26.815 -9.044 1.00 1.00 C ATOM 575 O THR A 36 12.124 26.929 -10.171 1.00 1.00 O ATOM 576 CB THR A 36 13.336 28.322 -7.892 1.00 1.00 C ATOM 577 OG1 THR A 36 13.298 29.615 -7.296 1.00 1.00 O ATOM 578 CG2 THR A 36 14.002 28.557 -9.250 1.00 1.00 C ATOM 0 H THR A 36 11.727 26.585 -6.427 1.00 1.00 H new ATOM 0 HA THR A 36 11.324 28.804 -8.383 1.00 1.00 H new ATOM 0 HB THR A 36 13.874 27.542 -7.354 1.00 1.00 H new ATOM 0 HG1 THR A 36 14.212 29.946 -7.173 1.00 1.00 H new ATOM 0 HG21 THR A 36 15.046 28.834 -9.100 1.00 1.00 H new ATOM 0 HG22 THR A 36 13.950 27.644 -9.843 1.00 1.00 H new ATOM 0 HG23 THR A 36 13.485 29.360 -9.775 1.00 1.00 H new ATOM 586 N LYS A 37 10.866 25.778 -8.637 1.00 1.00 N ATOM 587 CA LYS A 37 10.561 24.658 -9.511 1.00 1.00 C ATOM 588 C LYS A 37 11.756 24.394 -10.430 1.00 1.00 C ATOM 589 O LYS A 37 11.538 24.164 -11.628 1.00 1.00 O ATOM 590 CB LYS A 37 9.251 24.905 -10.261 1.00 1.00 C ATOM 591 CG LYS A 37 8.044 24.631 -9.361 1.00 1.00 C ATOM 592 CD LYS A 37 7.169 25.878 -9.223 1.00 1.00 C ATOM 593 CE LYS A 37 8.020 27.116 -8.934 1.00 1.00 C ATOM 594 NZ LYS A 37 7.249 28.102 -8.160 1.00 1.00 N ATOM 0 H LYS A 37 10.461 25.703 -7.704 1.00 1.00 H new ATOM 0 HA LYS A 37 10.401 23.752 -8.927 1.00 1.00 H new ATOM 0 HB2 LYS A 37 9.219 25.936 -10.615 1.00 1.00 H new ATOM 0 HB3 LYS A 37 9.206 24.264 -11.142 1.00 1.00 H new ATOM 0 HG2 LYS A 37 7.455 23.813 -9.776 1.00 1.00 H new ATOM 0 HG3 LYS A 37 8.385 24.311 -8.376 1.00 1.00 H new ATOM 0 HD2 LYS A 37 6.599 26.030 -10.140 1.00 1.00 H new ATOM 0 HD3 LYS A 37 6.447 25.733 -8.419 1.00 1.00 H new ATOM 0 HE2 LYS A 37 8.914 26.829 -8.380 1.00 1.00 H new ATOM 0 HE3 LYS A 37 8.355 27.561 -9.871 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 7.841 28.936 -7.972 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 6.409 28.389 -8.702 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 6.951 27.679 -7.258 1.00 1.00 H new ATOM 608 N GLN A 38 12.974 24.431 -9.860 1.00 1.00 N ATOM 609 CA GLN A 38 14.188 24.198 -10.624 1.00 1.00 C ATOM 610 C GLN A 38 15.295 23.722 -9.680 1.00 1.00 C ATOM 611 O GLN A 38 14.978 23.347 -8.542 1.00 1.00 O ATOM 612 CB GLN A 38 14.621 25.451 -11.388 1.00 1.00 C ATOM 613 CG GLN A 38 14.358 25.296 -12.888 1.00 1.00 C ATOM 614 CD GLN A 38 13.081 26.032 -13.299 1.00 1.00 C ATOM 615 OE1 GLN A 38 12.527 26.829 -12.559 1.00 1.00 O ATOM 616 NE2 GLN A 38 12.646 25.722 -14.517 1.00 1.00 N ATOM 0 H GLN A 38 13.132 24.621 -8.870 1.00 1.00 H new ATOM 0 HA GLN A 38 13.991 23.426 -11.367 1.00 1.00 H new ATOM 0 HB2 GLN A 38 14.081 26.318 -11.008 1.00 1.00 H new ATOM 0 HB3 GLN A 38 15.682 25.637 -11.218 1.00 1.00 H new ATOM 0 HG2 GLN A 38 15.205 25.687 -13.452 1.00 1.00 H new ATOM 0 HG3 GLN A 38 14.269 24.239 -13.138 1.00 1.00 H new ATOM 0 HE21 GLN A 38 13.158 25.046 -15.085 1.00 1.00 H new ATOM 0 HE22 GLN A 38 11.801 26.160 -14.884 1.00 1.00 H new ATOM 625 N CYS A 39 16.550 23.747 -10.163 1.00 1.00 N ATOM 626 CA CYS A 39 17.689 23.321 -9.368 1.00 1.00 C ATOM 627 C CYS A 39 18.509 24.547 -8.963 1.00 1.00 C ATOM 628 O CYS A 39 18.924 25.301 -9.856 1.00 1.00 O ATOM 629 CB CYS A 39 18.534 22.292 -10.122 1.00 1.00 C ATOM 630 SG CYS A 39 17.822 20.622 -10.190 1.00 1.00 S ATOM 0 H CYS A 39 16.789 24.060 -11.104 1.00 1.00 H new ATOM 0 HA CYS A 39 17.334 22.828 -8.463 1.00 1.00 H new ATOM 0 HB2 CYS A 39 18.689 22.647 -11.141 1.00 1.00 H new ATOM 0 HB3 CYS A 39 19.516 22.234 -9.651 1.00 1.00 H new ATOM 636 N GLU A 40 18.724 24.720 -7.647 1.00 1.00 N ATOM 637 CA GLU A 40 19.488 25.844 -7.132 1.00 1.00 C ATOM 638 C GLU A 40 20.791 25.330 -6.516 1.00 1.00 C ATOM 639 O GLU A 40 20.773 24.243 -5.920 1.00 1.00 O ATOM 640 CB GLU A 40 18.681 26.652 -6.113 1.00 1.00 C ATOM 641 CG GLU A 40 18.371 28.052 -6.646 1.00 1.00 C ATOM 642 CD GLU A 40 19.262 29.102 -5.978 1.00 1.00 C ATOM 643 OE1 GLU A 40 19.788 28.862 -4.881 1.00 1.00 O ATOM 644 OE2 GLU A 40 19.400 30.200 -6.640 1.00 1.00 O ATOM 0 H GLU A 40 18.374 24.087 -6.928 1.00 1.00 H new ATOM 0 HA GLU A 40 19.721 26.516 -7.958 1.00 1.00 H new ATOM 0 HB2 GLU A 40 17.751 26.131 -5.885 1.00 1.00 H new ATOM 0 HB3 GLU A 40 19.240 26.729 -5.180 1.00 1.00 H new ATOM 0 HG2 GLU A 40 18.521 28.076 -7.725 1.00 1.00 H new ATOM 0 HG3 GLU A 40 17.323 28.290 -6.465 1.00 1.00 H new ATOM 651 N ARG A 41 21.877 26.109 -6.669 1.00 1.00 N ATOM 652 CA ARG A 41 23.174 25.735 -6.132 1.00 1.00 C ATOM 653 C ARG A 41 23.179 25.961 -4.619 1.00 1.00 C ATOM 654 O ARG A 41 23.080 27.122 -4.196 1.00 1.00 O ATOM 655 CB ARG A 41 24.303 26.550 -6.766 1.00 1.00 C ATOM 656 CG ARG A 41 25.286 25.642 -7.508 1.00 1.00 C ATOM 657 CD ARG A 41 25.911 26.368 -8.701 1.00 1.00 C ATOM 658 NE ARG A 41 26.318 27.735 -8.304 1.00 1.00 N ATOM 659 CZ ARG A 41 26.582 28.729 -9.178 1.00 1.00 C ATOM 660 NH1 ARG A 41 26.474 28.486 -10.491 1.00 1.00 N ATOM 661 NH2 ARG A 41 26.946 29.942 -8.739 1.00 1.00 N ATOM 0 H ARG A 41 21.870 27.001 -7.163 1.00 1.00 H new ATOM 0 HA ARG A 41 23.344 24.683 -6.362 1.00 1.00 H new ATOM 0 HB2 ARG A 41 23.884 27.281 -7.458 1.00 1.00 H new ATOM 0 HB3 ARG A 41 24.831 27.109 -5.993 1.00 1.00 H new ATOM 0 HG2 ARG A 41 26.070 25.315 -6.825 1.00 1.00 H new ATOM 0 HG3 ARG A 41 24.770 24.746 -7.853 1.00 1.00 H new ATOM 0 HD2 ARG A 41 26.776 25.813 -9.063 1.00 1.00 H new ATOM 0 HD3 ARG A 41 25.197 26.416 -9.523 1.00 1.00 H new ATOM 0 HE ARG A 41 26.404 27.938 -7.308 1.00 1.00 H new ATOM 0 HH11 ARG A 41 26.196 27.560 -10.817 1.00 1.00 H new ATOM 0 HH12 ARG A 41 26.670 29.227 -11.165 1.00 1.00 H new ATOM 0 HH21 ARG A 41 27.025 30.119 -7.738 1.00 1.00 H new ATOM 0 HH22 ARG A 41 27.144 30.688 -9.406 1.00 1.00 H new ATOM 675 N PHE A 42 23.293 24.866 -3.847 1.00 1.00 N ATOM 676 CA PHE A 42 23.311 24.945 -2.396 1.00 1.00 C ATOM 677 C PHE A 42 24.537 24.200 -1.864 1.00 1.00 C ATOM 678 O PHE A 42 24.968 23.235 -2.512 1.00 1.00 O ATOM 679 CB PHE A 42 22.013 24.330 -1.839 1.00 1.00 C ATOM 680 CG PHE A 42 22.075 22.827 -1.597 1.00 1.00 C ATOM 681 CD1 PHE A 42 22.089 21.933 -2.692 1.00 1.00 C ATOM 682 CD2 PHE A 42 22.125 22.317 -0.278 1.00 1.00 C ATOM 683 CE1 PHE A 42 22.150 20.541 -2.471 1.00 1.00 C ATOM 684 CE2 PHE A 42 22.187 20.924 -0.059 1.00 1.00 C ATOM 685 CZ PHE A 42 22.199 20.036 -1.155 1.00 1.00 C ATOM 0 H PHE A 42 23.374 23.918 -4.216 1.00 1.00 H new ATOM 0 HA PHE A 42 23.370 25.985 -2.076 1.00 1.00 H new ATOM 0 HB2 PHE A 42 21.765 24.826 -0.900 1.00 1.00 H new ATOM 0 HB3 PHE A 42 21.200 24.539 -2.534 1.00 1.00 H new ATOM 0 HD1 PHE A 42 22.053 22.317 -3.701 1.00 1.00 H new ATOM 0 HD2 PHE A 42 22.116 22.995 0.563 1.00 1.00 H new ATOM 0 HE1 PHE A 42 22.159 19.861 -3.310 1.00 1.00 H new ATOM 0 HE2 PHE A 42 22.225 20.538 0.949 1.00 1.00 H new ATOM 0 HZ PHE A 42 22.246 18.970 -0.987 1.00 1.00 H new ATOM 695 N LYS A 43 25.066 24.655 -0.714 1.00 1.00 N ATOM 696 CA LYS A 43 26.230 24.036 -0.104 1.00 1.00 C ATOM 697 C LYS A 43 25.863 22.630 0.375 1.00 1.00 C ATOM 698 O LYS A 43 24.669 22.371 0.582 1.00 1.00 O ATOM 699 CB LYS A 43 26.796 24.933 0.999 1.00 1.00 C ATOM 700 CG LYS A 43 27.996 25.734 0.491 1.00 1.00 C ATOM 701 CD LYS A 43 27.559 27.103 -0.034 1.00 1.00 C ATOM 702 CE LYS A 43 27.130 28.020 1.113 1.00 1.00 C ATOM 703 NZ LYS A 43 26.787 29.357 0.603 1.00 1.00 N ATOM 0 H LYS A 43 24.696 25.452 -0.196 1.00 1.00 H new ATOM 0 HA LYS A 43 27.030 23.925 -0.836 1.00 1.00 H new ATOM 0 HB2 LYS A 43 26.022 25.615 1.352 1.00 1.00 H new ATOM 0 HB3 LYS A 43 27.096 24.323 1.851 1.00 1.00 H new ATOM 0 HG2 LYS A 43 28.719 25.863 1.297 1.00 1.00 H new ATOM 0 HG3 LYS A 43 28.498 25.180 -0.302 1.00 1.00 H new ATOM 0 HD2 LYS A 43 28.379 27.564 -0.585 1.00 1.00 H new ATOM 0 HD3 LYS A 43 26.733 26.981 -0.735 1.00 1.00 H new ATOM 0 HE2 LYS A 43 26.272 27.590 1.629 1.00 1.00 H new ATOM 0 HE3 LYS A 43 27.935 28.099 1.844 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 26.498 29.967 1.394 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 27.616 29.772 0.131 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 26.004 29.279 -0.077 1.00 1.00 H new ATOM 717 N TYR A 44 26.880 21.765 0.538 1.00 1.00 N ATOM 718 CA TYR A 44 26.598 20.412 0.986 1.00 1.00 C ATOM 719 C TYR A 44 27.488 20.080 2.185 1.00 1.00 C ATOM 720 O TYR A 44 28.302 19.152 2.068 1.00 1.00 O ATOM 721 CB TYR A 44 26.808 19.423 -0.175 1.00 1.00 C ATOM 722 CG TYR A 44 26.695 17.956 0.216 1.00 1.00 C ATOM 723 CD1 TYR A 44 25.940 17.583 1.351 1.00 1.00 C ATOM 724 CD2 TYR A 44 27.338 16.959 -0.553 1.00 1.00 C ATOM 725 CE1 TYR A 44 25.830 16.225 1.716 1.00 1.00 C ATOM 726 CE2 TYR A 44 27.228 15.600 -0.188 1.00 1.00 C ATOM 727 CZ TYR A 44 26.474 15.232 0.948 1.00 1.00 C ATOM 728 OH TYR A 44 26.366 13.918 1.305 1.00 1.00 O ATOM 0 H TYR A 44 27.864 21.977 0.371 1.00 1.00 H new ATOM 0 HA TYR A 44 25.558 20.330 1.304 1.00 1.00 H new ATOM 0 HB2 TYR A 44 26.075 19.636 -0.954 1.00 1.00 H new ATOM 0 HB3 TYR A 44 27.793 19.595 -0.609 1.00 1.00 H new ATOM 0 HD1 TYR A 44 25.445 18.340 1.941 1.00 1.00 H new ATOM 0 HD2 TYR A 44 27.915 17.238 -1.422 1.00 1.00 H new ATOM 0 HE1 TYR A 44 25.252 15.945 2.584 1.00 1.00 H new ATOM 0 HE2 TYR A 44 27.721 14.841 -0.778 1.00 1.00 H new ATOM 0 HH TYR A 44 26.868 13.364 0.671 1.00 1.00 H new ATOM 738 N GLY A 45 27.329 20.832 3.289 1.00 1.00 N ATOM 739 CA GLY A 45 28.125 20.619 4.486 1.00 1.00 C ATOM 740 C GLY A 45 27.726 19.289 5.129 1.00 1.00 C ATOM 741 O GLY A 45 27.281 19.303 6.286 1.00 1.00 O ATOM 0 H GLY A 45 26.652 21.591 3.365 1.00 1.00 H new ATOM 0 HA2 GLY A 45 29.186 20.611 4.235 1.00 1.00 H new ATOM 0 HA3 GLY A 45 27.971 21.437 5.190 1.00 1.00 H new ATOM 745 N GLY A 46 27.889 18.185 4.379 1.00 1.00 N ATOM 746 CA GLY A 46 27.549 16.861 4.872 1.00 1.00 C ATOM 747 C GLY A 46 28.324 15.810 4.076 1.00 1.00 C ATOM 748 O GLY A 46 29.070 16.193 3.162 1.00 1.00 O ATOM 0 H GLY A 46 28.256 18.196 3.427 1.00 1.00 H new ATOM 0 HA2 GLY A 46 27.791 16.782 5.932 1.00 1.00 H new ATOM 0 HA3 GLY A 46 26.477 16.689 4.776 1.00 1.00 H new ATOM 752 N CYS A 47 28.137 14.526 4.431 1.00 1.00 N ATOM 753 CA CYS A 47 28.815 13.433 3.754 1.00 1.00 C ATOM 754 C CYS A 47 27.801 12.334 3.429 1.00 1.00 C ATOM 755 O CYS A 47 28.225 11.198 3.173 1.00 1.00 O ATOM 756 CB CYS A 47 29.981 12.905 4.591 1.00 1.00 C ATOM 757 SG CYS A 47 30.865 14.168 5.552 1.00 1.00 S ATOM 0 H CYS A 47 27.518 14.231 5.186 1.00 1.00 H new ATOM 0 HA CYS A 47 29.243 13.796 2.820 1.00 1.00 H new ATOM 0 HB2 CYS A 47 29.603 12.146 5.276 1.00 1.00 H new ATOM 0 HB3 CYS A 47 30.691 12.411 3.928 1.00 1.00 H new ATOM 0 HG CYS A 47 30.013 15.030 6.022 1.00 1.00 H new ATOM 763 N LEU A 48 26.503 12.688 3.446 1.00 1.00 N ATOM 764 CA LEU A 48 25.443 11.738 3.155 1.00 1.00 C ATOM 765 C LEU A 48 24.180 12.499 2.747 1.00 1.00 C ATOM 766 O LEU A 48 23.826 12.460 1.559 1.00 1.00 O ATOM 767 CB LEU A 48 25.233 10.790 4.338 1.00 1.00 C ATOM 768 CG LEU A 48 24.377 9.552 4.062 1.00 1.00 C ATOM 769 CD1 LEU A 48 25.191 8.471 3.348 1.00 1.00 C ATOM 770 CD2 LEU A 48 23.736 9.031 5.350 1.00 1.00 C ATOM 0 H LEU A 48 26.175 13.630 3.660 1.00 1.00 H new ATOM 0 HA LEU A 48 25.721 11.104 2.313 1.00 1.00 H new ATOM 0 HB2 LEU A 48 26.210 10.460 4.692 1.00 1.00 H new ATOM 0 HB3 LEU A 48 24.773 11.352 5.151 1.00 1.00 H new ATOM 0 HG LEU A 48 23.566 9.839 3.392 1.00 1.00 H new ATOM 0 HD11 LEU A 48 24.559 7.602 3.164 1.00 1.00 H new ATOM 0 HD12 LEU A 48 25.559 8.860 2.399 1.00 1.00 H new ATOM 0 HD13 LEU A 48 26.036 8.180 3.972 1.00 1.00 H new ATOM 0 HD21 LEU A 48 23.133 8.151 5.126 1.00 1.00 H new ATOM 0 HD22 LEU A 48 24.516 8.764 6.063 1.00 1.00 H new ATOM 0 HD23 LEU A 48 23.101 9.806 5.780 1.00 1.00 H new ATOM 782 N GLY A 49 23.537 13.166 3.721 1.00 1.00 N ATOM 783 CA GLY A 49 22.326 13.927 3.464 1.00 1.00 C ATOM 784 C GLY A 49 21.286 13.017 2.808 1.00 1.00 C ATOM 785 O GLY A 49 21.615 11.857 2.521 1.00 1.00 O ATOM 0 H GLY A 49 23.846 13.187 4.693 1.00 1.00 H new ATOM 0 HA2 GLY A 49 21.934 14.334 4.396 1.00 1.00 H new ATOM 0 HA3 GLY A 49 22.546 14.774 2.814 1.00 1.00 H new ATOM 789 N ASN A 50 20.072 13.552 2.587 1.00 1.00 N ATOM 790 CA ASN A 50 18.997 12.793 1.971 1.00 1.00 C ATOM 791 C ASN A 50 19.176 12.806 0.451 1.00 1.00 C ATOM 792 O ASN A 50 20.163 13.387 -0.022 1.00 1.00 O ATOM 793 CB ASN A 50 17.634 13.410 2.292 1.00 1.00 C ATOM 794 CG ASN A 50 17.621 14.907 1.976 1.00 1.00 C ATOM 795 OD1 ASN A 50 18.532 15.448 1.372 1.00 1.00 O ATOM 796 ND2 ASN A 50 16.539 15.543 2.417 1.00 1.00 N ATOM 0 H ASN A 50 19.822 14.510 2.831 1.00 1.00 H new ATOM 0 HA ASN A 50 19.034 11.776 2.362 1.00 1.00 H new ATOM 0 HB2 ASN A 50 16.858 12.906 1.715 1.00 1.00 H new ATOM 0 HB3 ASN A 50 17.400 13.255 3.345 1.00 1.00 H new ATOM 0 HD21 ASN A 50 16.435 16.545 2.256 1.00 1.00 H new ATOM 0 HD22 ASN A 50 15.813 15.029 2.916 1.00 1.00 H new ATOM 803 N MET A 51 18.232 12.175 -0.271 1.00 1.00 N ATOM 804 CA MET A 51 18.286 12.114 -1.722 1.00 1.00 C ATOM 805 C MET A 51 18.529 13.519 -2.278 1.00 1.00 C ATOM 806 O MET A 51 19.467 13.684 -3.072 1.00 1.00 O ATOM 807 CB MET A 51 16.972 11.564 -2.280 1.00 1.00 C ATOM 808 CG MET A 51 17.046 10.047 -2.460 1.00 1.00 C ATOM 809 SD MET A 51 17.246 9.238 -0.846 1.00 1.00 S ATOM 810 CE MET A 51 17.790 7.590 -1.384 1.00 1.00 C ATOM 0 H MET A 51 17.426 11.703 0.139 1.00 1.00 H new ATOM 0 HA MET A 51 19.099 11.452 -2.020 1.00 1.00 H new ATOM 0 HB2 MET A 51 16.153 11.814 -1.606 1.00 1.00 H new ATOM 0 HB3 MET A 51 16.753 12.037 -3.237 1.00 1.00 H new ATOM 0 HG2 MET A 51 16.140 9.686 -2.947 1.00 1.00 H new ATOM 0 HG3 MET A 51 17.882 9.790 -3.111 1.00 1.00 H new ATOM 0 HE1 MET A 51 17.960 6.960 -0.511 1.00 1.00 H new ATOM 0 HE2 MET A 51 17.021 7.140 -2.012 1.00 1.00 H new ATOM 0 HE3 MET A 51 18.716 7.680 -1.952 1.00 1.00 H new ATOM 820 N ASN A 52 17.694 14.486 -1.858 1.00 1.00 N ATOM 821 CA ASN A 52 17.818 15.861 -2.311 1.00 1.00 C ATOM 822 C ASN A 52 19.251 16.342 -2.080 1.00 1.00 C ATOM 823 O ASN A 52 19.532 16.857 -0.988 1.00 1.00 O ATOM 824 CB ASN A 52 16.878 16.784 -1.533 1.00 1.00 C ATOM 825 CG ASN A 52 17.050 18.239 -1.973 1.00 1.00 C ATOM 826 OD1 ASN A 52 18.019 18.903 -1.645 1.00 1.00 O ATOM 827 ND2 ASN A 52 16.058 18.695 -2.733 1.00 1.00 N ATOM 0 H ASN A 52 16.928 14.328 -1.204 1.00 1.00 H new ATOM 0 HA ASN A 52 17.559 15.892 -3.369 1.00 1.00 H new ATOM 0 HB2 ASN A 52 15.845 16.473 -1.690 1.00 1.00 H new ATOM 0 HB3 ASN A 52 17.079 16.697 -0.465 1.00 1.00 H new ATOM 0 HD21 ASN A 52 16.080 19.654 -3.078 1.00 1.00 H new ATOM 0 HD22 ASN A 52 15.276 18.085 -2.970 1.00 1.00 H new ATOM 834 N ASN A 53 20.116 16.169 -3.096 1.00 1.00 N ATOM 835 CA ASN A 53 21.505 16.583 -3.005 1.00 1.00 C ATOM 836 C ASN A 53 22.268 16.070 -4.228 1.00 1.00 C ATOM 837 O ASN A 53 22.729 14.920 -4.195 1.00 1.00 O ATOM 838 CB ASN A 53 22.171 16.004 -1.755 1.00 1.00 C ATOM 839 CG ASN A 53 23.684 15.878 -1.948 1.00 1.00 C ATOM 840 OD1 ASN A 53 24.229 16.888 -2.620 1.00 1.00 O flip ATOM 841 ND2 ASN A 53 24.314 14.927 -1.515 1.00 1.00 N flip ATOM 0 H ASN A 53 19.864 15.742 -3.988 1.00 1.00 H new ATOM 0 HA ASN A 53 21.530 17.672 -2.956 1.00 1.00 H new ATOM 0 HB2 ASN A 53 21.962 16.644 -0.898 1.00 1.00 H new ATOM 0 HB3 ASN A 53 21.746 15.025 -1.533 1.00 1.00 H new ATOM 0 HD21 ASN A 53 23.833 14.185 -1.007 1.00 1.00 H new ATOM 0 HD22 ASN A 53 25.322 14.874 -1.661 1.00 1.00 H new ATOM 848 N PHE A 54 22.383 16.918 -5.265 1.00 1.00 N ATOM 849 CA PHE A 54 23.084 16.553 -6.484 1.00 1.00 C ATOM 850 C PHE A 54 24.413 17.306 -6.549 1.00 1.00 C ATOM 851 O PHE A 54 24.588 18.262 -5.779 1.00 1.00 O ATOM 852 CB PHE A 54 22.200 16.897 -7.699 1.00 1.00 C ATOM 853 CG PHE A 54 20.806 16.286 -7.664 1.00 1.00 C ATOM 854 CD1 PHE A 54 20.585 14.992 -8.190 1.00 1.00 C ATOM 855 CD2 PHE A 54 19.725 17.003 -7.099 1.00 1.00 C ATOM 856 CE1 PHE A 54 19.295 14.422 -8.155 1.00 1.00 C ATOM 857 CE2 PHE A 54 18.435 16.432 -7.064 1.00 1.00 C ATOM 858 CZ PHE A 54 18.220 15.142 -7.592 1.00 1.00 C ATOM 0 H PHE A 54 21.994 17.861 -5.272 1.00 1.00 H new ATOM 0 HA PHE A 54 23.291 15.483 -6.493 1.00 1.00 H new ATOM 0 HB2 PHE A 54 22.105 17.981 -7.767 1.00 1.00 H new ATOM 0 HB3 PHE A 54 22.706 16.563 -8.605 1.00 1.00 H new ATOM 0 HD1 PHE A 54 21.407 14.438 -8.620 1.00 1.00 H new ATOM 0 HD2 PHE A 54 19.888 17.991 -6.693 1.00 1.00 H new ATOM 0 HE1 PHE A 54 19.130 13.434 -8.559 1.00 1.00 H new ATOM 0 HE2 PHE A 54 17.612 16.983 -6.633 1.00 1.00 H new ATOM 0 HZ PHE A 54 17.233 14.705 -7.565 1.00 1.00 H new ATOM 868 N GLU A 55 25.310 16.869 -7.452 1.00 1.00 N ATOM 869 CA GLU A 55 26.610 17.498 -7.613 1.00 1.00 C ATOM 870 C GLU A 55 26.570 18.441 -8.818 1.00 1.00 C ATOM 871 O GLU A 55 27.253 19.475 -8.780 1.00 1.00 O ATOM 872 CB GLU A 55 27.722 16.459 -7.767 1.00 1.00 C ATOM 873 CG GLU A 55 27.602 15.366 -6.703 1.00 1.00 C ATOM 874 CD GLU A 55 28.811 14.429 -6.741 1.00 1.00 C ATOM 875 OE1 GLU A 55 29.958 14.892 -6.644 1.00 1.00 O ATOM 876 OE2 GLU A 55 28.528 13.178 -6.875 1.00 1.00 O ATOM 0 H GLU A 55 25.146 16.080 -8.077 1.00 1.00 H new ATOM 0 HA GLU A 55 26.834 18.072 -6.714 1.00 1.00 H new ATOM 0 HB2 GLU A 55 27.672 16.012 -8.760 1.00 1.00 H new ATOM 0 HB3 GLU A 55 28.694 16.946 -7.685 1.00 1.00 H new ATOM 0 HG2 GLU A 55 27.521 15.822 -5.716 1.00 1.00 H new ATOM 0 HG3 GLU A 55 26.689 14.794 -6.866 1.00 1.00 H new ATOM 883 N THR A 56 25.783 18.072 -9.845 1.00 1.00 N ATOM 884 CA THR A 56 25.658 18.879 -11.046 1.00 1.00 C ATOM 885 C THR A 56 24.202 19.320 -11.209 1.00 1.00 C ATOM 886 O THR A 56 23.308 18.576 -10.779 1.00 1.00 O ATOM 887 CB THR A 56 26.184 18.072 -12.234 1.00 1.00 C ATOM 888 OG1 THR A 56 25.940 16.717 -11.869 1.00 1.00 O ATOM 889 CG2 THR A 56 27.706 18.153 -12.368 1.00 1.00 C ATOM 0 H THR A 56 25.228 17.216 -9.855 1.00 1.00 H new ATOM 0 HA THR A 56 26.255 19.789 -10.982 1.00 1.00 H new ATOM 0 HB THR A 56 25.719 18.432 -13.152 1.00 1.00 H new ATOM 0 HG1 THR A 56 26.250 16.124 -12.585 1.00 1.00 H new ATOM 0 HG21 THR A 56 28.028 17.563 -13.226 1.00 1.00 H new ATOM 0 HG22 THR A 56 28.004 19.192 -12.510 1.00 1.00 H new ATOM 0 HG23 THR A 56 28.172 17.762 -11.464 1.00 1.00 H new ATOM 897 N LEU A 57 23.995 20.502 -11.817 1.00 1.00 N ATOM 898 CA LEU A 57 22.660 21.034 -12.033 1.00 1.00 C ATOM 899 C LEU A 57 21.879 20.085 -12.945 1.00 1.00 C ATOM 900 O LEU A 57 20.761 19.699 -12.575 1.00 1.00 O ATOM 901 CB LEU A 57 22.733 22.469 -12.557 1.00 1.00 C ATOM 902 CG LEU A 57 21.401 23.213 -12.665 1.00 1.00 C ATOM 903 CD1 LEU A 57 21.050 23.903 -11.346 1.00 1.00 C ATOM 904 CD2 LEU A 57 21.414 24.194 -13.839 1.00 1.00 C ATOM 0 H LEU A 57 24.745 21.100 -12.164 1.00 1.00 H new ATOM 0 HA LEU A 57 22.116 21.091 -11.090 1.00 1.00 H new ATOM 0 HB2 LEU A 57 23.393 23.040 -11.904 1.00 1.00 H new ATOM 0 HB3 LEU A 57 23.197 22.451 -13.543 1.00 1.00 H new ATOM 0 HG LEU A 57 20.617 22.482 -12.865 1.00 1.00 H new ATOM 0 HD11 LEU A 57 20.099 24.425 -11.450 1.00 1.00 H new ATOM 0 HD12 LEU A 57 20.970 23.157 -10.555 1.00 1.00 H new ATOM 0 HD13 LEU A 57 21.831 24.620 -11.091 1.00 1.00 H new ATOM 0 HD21 LEU A 57 20.455 24.710 -13.893 1.00 1.00 H new ATOM 0 HD22 LEU A 57 22.211 24.924 -13.695 1.00 1.00 H new ATOM 0 HD23 LEU A 57 21.585 23.649 -14.767 1.00 1.00 H new ATOM 916 N GLU A 58 22.474 19.735 -14.100 1.00 1.00 N ATOM 917 CA GLU A 58 21.838 18.841 -15.053 1.00 1.00 C ATOM 918 C GLU A 58 21.410 17.559 -14.335 1.00 1.00 C ATOM 919 O GLU A 58 20.258 17.138 -14.518 1.00 1.00 O ATOM 920 CB GLU A 58 22.762 18.527 -16.231 1.00 1.00 C ATOM 921 CG GLU A 58 21.964 18.375 -17.528 1.00 1.00 C ATOM 922 CD GLU A 58 22.889 18.067 -18.708 1.00 1.00 C ATOM 923 OE1 GLU A 58 23.626 19.052 -19.094 1.00 1.00 O ATOM 924 OE2 GLU A 58 22.888 16.937 -19.217 1.00 1.00 O ATOM 0 H GLU A 58 23.396 20.065 -14.386 1.00 1.00 H new ATOM 0 HA GLU A 58 20.957 19.335 -15.463 1.00 1.00 H new ATOM 0 HB2 GLU A 58 23.497 19.324 -16.343 1.00 1.00 H new ATOM 0 HB3 GLU A 58 23.315 17.609 -16.030 1.00 1.00 H new ATOM 0 HG2 GLU A 58 21.232 17.575 -17.417 1.00 1.00 H new ATOM 0 HG3 GLU A 58 21.408 19.291 -17.727 1.00 1.00 H new ATOM 931 N GLU A 59 22.329 16.974 -13.547 1.00 1.00 N ATOM 932 CA GLU A 59 22.048 15.753 -12.811 1.00 1.00 C ATOM 933 C GLU A 59 20.784 15.949 -11.972 1.00 1.00 C ATOM 934 O GLU A 59 19.891 15.091 -12.042 1.00 1.00 O ATOM 935 CB GLU A 59 23.231 15.341 -11.933 1.00 1.00 C ATOM 936 CG GLU A 59 22.750 14.679 -10.640 1.00 1.00 C ATOM 937 CD GLU A 59 23.933 14.282 -9.755 1.00 1.00 C ATOM 938 OE1 GLU A 59 24.964 13.838 -10.389 1.00 1.00 O ATOM 939 OE2 GLU A 59 23.851 14.398 -8.523 1.00 1.00 O ATOM 0 H GLU A 59 23.272 17.337 -13.411 1.00 1.00 H new ATOM 0 HA GLU A 59 21.886 14.944 -13.524 1.00 1.00 H new ATOM 0 HB2 GLU A 59 23.873 14.652 -12.482 1.00 1.00 H new ATOM 0 HB3 GLU A 59 23.834 16.217 -11.695 1.00 1.00 H new ATOM 0 HG2 GLU A 59 22.099 15.364 -10.097 1.00 1.00 H new ATOM 0 HG3 GLU A 59 22.157 13.796 -10.878 1.00 1.00 H new ATOM 946 N CYS A 60 20.733 17.054 -11.207 1.00 1.00 N ATOM 947 CA CYS A 60 19.589 17.356 -10.364 1.00 1.00 C ATOM 948 C CYS A 60 18.332 17.448 -11.232 1.00 1.00 C ATOM 949 O CYS A 60 17.241 17.152 -10.723 1.00 1.00 O ATOM 950 CB CYS A 60 19.820 18.635 -9.557 1.00 1.00 C ATOM 951 SG CYS A 60 18.329 19.329 -8.785 1.00 1.00 S ATOM 0 H CYS A 60 21.479 17.748 -11.163 1.00 1.00 H new ATOM 0 HA CYS A 60 19.452 16.553 -9.640 1.00 1.00 H new ATOM 0 HB2 CYS A 60 20.553 18.428 -8.777 1.00 1.00 H new ATOM 0 HB3 CYS A 60 20.256 19.388 -10.213 1.00 1.00 H new ATOM 957 N LYS A 61 18.506 17.851 -12.503 1.00 1.00 N ATOM 958 CA LYS A 61 17.394 17.980 -13.429 1.00 1.00 C ATOM 959 C LYS A 61 17.001 16.594 -13.944 1.00 1.00 C ATOM 960 O LYS A 61 15.805 16.269 -13.908 1.00 1.00 O ATOM 961 CB LYS A 61 17.736 18.975 -14.540 1.00 1.00 C ATOM 962 CG LYS A 61 18.129 20.334 -13.958 1.00 1.00 C ATOM 963 CD LYS A 61 17.330 21.463 -14.612 1.00 1.00 C ATOM 964 CE LYS A 61 17.041 22.582 -13.610 1.00 1.00 C ATOM 965 NZ LYS A 61 15.757 22.346 -12.930 1.00 1.00 N ATOM 0 H LYS A 61 19.413 18.091 -12.902 1.00 1.00 H new ATOM 0 HA LYS A 61 16.521 18.391 -12.922 1.00 1.00 H new ATOM 0 HB2 LYS A 61 18.555 18.584 -15.144 1.00 1.00 H new ATOM 0 HB3 LYS A 61 16.879 19.094 -15.203 1.00 1.00 H new ATOM 0 HG2 LYS A 61 17.955 20.337 -12.882 1.00 1.00 H new ATOM 0 HG3 LYS A 61 19.195 20.504 -14.109 1.00 1.00 H new ATOM 0 HD2 LYS A 61 17.886 21.864 -15.459 1.00 1.00 H new ATOM 0 HD3 LYS A 61 16.392 21.070 -15.004 1.00 1.00 H new ATOM 0 HE2 LYS A 61 17.844 22.636 -12.875 1.00 1.00 H new ATOM 0 HE3 LYS A 61 17.015 23.542 -14.125 1.00 1.00 H new ATOM 0 HZ1 LYS A 61 15.568 23.124 -12.266 1.00 1.00 H new ATOM 0 HZ2 LYS A 61 14.994 22.300 -13.635 1.00 1.00 H new ATOM 0 HZ3 LYS A 61 15.801 21.448 -12.408 1.00 1.00 H new ATOM 979 N ASN A 62 17.998 15.818 -14.406 1.00 1.00 N ATOM 980 CA ASN A 62 17.757 14.482 -14.922 1.00 1.00 C ATOM 981 C ASN A 62 16.949 13.682 -13.899 1.00 1.00 C ATOM 982 O ASN A 62 15.951 13.060 -14.292 1.00 1.00 O ATOM 983 CB ASN A 62 19.074 13.741 -15.168 1.00 1.00 C ATOM 984 CG ASN A 62 18.928 12.726 -16.304 1.00 1.00 C ATOM 985 OD1 ASN A 62 18.533 11.589 -16.108 1.00 1.00 O ATOM 986 ND2 ASN A 62 19.269 13.200 -17.499 1.00 1.00 N ATOM 0 H ASN A 62 18.977 16.105 -14.427 1.00 1.00 H new ATOM 0 HA ASN A 62 17.215 14.577 -15.863 1.00 1.00 H new ATOM 0 HB2 ASN A 62 19.858 14.457 -15.414 1.00 1.00 H new ATOM 0 HB3 ASN A 62 19.384 13.230 -14.256 1.00 1.00 H new ATOM 0 HD21 ASN A 62 19.207 12.601 -18.322 1.00 1.00 H new ATOM 0 HD22 ASN A 62 19.592 14.163 -17.592 1.00 1.00 H new ATOM 993 N ILE A 63 17.387 13.714 -12.628 1.00 1.00 N ATOM 994 CA ILE A 63 16.708 12.997 -11.561 1.00 1.00 C ATOM 995 C ILE A 63 15.387 13.699 -11.242 1.00 1.00 C ATOM 996 O ILE A 63 14.346 13.025 -11.241 1.00 1.00 O ATOM 997 CB ILE A 63 17.630 12.840 -10.350 1.00 1.00 C ATOM 998 CG1 ILE A 63 18.685 11.760 -10.601 1.00 1.00 C ATOM 999 CG2 ILE A 63 16.823 12.569 -9.079 1.00 1.00 C ATOM 1000 CD1 ILE A 63 19.992 12.377 -11.101 1.00 1.00 C ATOM 0 H ILE A 63 18.211 14.233 -12.325 1.00 1.00 H new ATOM 0 HA ILE A 63 16.462 11.984 -11.878 1.00 1.00 H new ATOM 0 HB ILE A 63 18.161 13.780 -10.200 1.00 1.00 H new ATOM 0 HG12 ILE A 63 18.869 11.205 -9.681 1.00 1.00 H new ATOM 0 HG13 ILE A 63 18.312 11.045 -11.335 1.00 1.00 H new ATOM 0 HG21 ILE A 63 17.502 12.461 -8.233 1.00 1.00 H new ATOM 0 HG22 ILE A 63 16.143 13.401 -8.895 1.00 1.00 H new ATOM 0 HG23 ILE A 63 16.248 11.651 -9.202 1.00 1.00 H new ATOM 0 HD11 ILE A 63 20.725 11.588 -11.272 1.00 1.00 H new ATOM 0 HD12 ILE A 63 19.809 12.910 -12.034 1.00 1.00 H new ATOM 0 HD13 ILE A 63 20.375 13.073 -10.354 1.00 1.00 H new ATOM 1012 N CYS A 64 15.453 15.017 -10.980 1.00 1.00 N ATOM 1013 CA CYS A 64 14.270 15.799 -10.663 1.00 1.00 C ATOM 1014 C CYS A 64 13.531 16.147 -11.957 1.00 1.00 C ATOM 1015 O CYS A 64 12.653 15.371 -12.361 1.00 1.00 O ATOM 1016 CB CYS A 64 14.635 17.049 -9.860 1.00 1.00 C ATOM 1017 SG CYS A 64 15.636 16.737 -8.376 1.00 1.00 S ATOM 0 H CYS A 64 16.321 15.553 -10.985 1.00 1.00 H new ATOM 0 HA CYS A 64 13.605 15.208 -10.034 1.00 1.00 H new ATOM 0 HB2 CYS A 64 15.178 17.735 -10.510 1.00 1.00 H new ATOM 0 HB3 CYS A 64 13.716 17.553 -9.562 1.00 1.00 H new ATOM 0 HG CYS A 64 15.024 15.882 -7.611 1.00 1.00 H new ATOM 1023 N GLU A 65 13.895 17.287 -12.570 1.00 1.00 N ATOM 1024 CA GLU A 65 13.271 17.730 -13.805 1.00 1.00 C ATOM 1025 C GLU A 65 12.789 16.511 -14.594 1.00 1.00 C ATOM 1026 O GLU A 65 11.685 16.571 -15.156 1.00 1.00 O ATOM 1027 CB GLU A 65 14.227 18.582 -14.644 1.00 1.00 C ATOM 1028 CG GLU A 65 14.061 20.068 -14.323 1.00 1.00 C ATOM 1029 CD GLU A 65 13.904 20.892 -15.603 1.00 1.00 C ATOM 1030 OE1 GLU A 65 13.280 20.425 -16.567 1.00 1.00 O ATOM 1031 OE2 GLU A 65 14.458 22.056 -15.574 1.00 1.00 O ATOM 0 H GLU A 65 14.621 17.912 -12.220 1.00 1.00 H new ATOM 0 HA GLU A 65 12.417 18.360 -13.558 1.00 1.00 H new ATOM 0 HB2 GLU A 65 15.256 18.277 -14.452 1.00 1.00 H new ATOM 0 HB3 GLU A 65 14.037 18.412 -15.704 1.00 1.00 H new ATOM 0 HG2 GLU A 65 13.189 20.211 -13.685 1.00 1.00 H new ATOM 0 HG3 GLU A 65 14.927 20.421 -13.763 1.00 1.00 H new ATOM 1038 N ASP A 66 13.610 15.446 -14.619 1.00 1.00 N ATOM 1039 CA ASP A 66 13.269 14.226 -15.331 1.00 1.00 C ATOM 1040 C ASP A 66 13.360 14.479 -16.838 1.00 1.00 C ATOM 1041 O ASP A 66 14.034 13.698 -17.526 1.00 1.00 O ATOM 1042 CB ASP A 66 11.839 13.784 -15.012 1.00 1.00 C ATOM 1043 CG ASP A 66 10.763 14.359 -15.935 1.00 1.00 C ATOM 1044 OD1 ASP A 66 10.763 14.108 -17.150 1.00 1.00 O ATOM 1045 OD2 ASP A 66 9.886 15.104 -15.352 1.00 1.00 O ATOM 0 H ASP A 66 14.515 15.417 -14.149 1.00 1.00 H new ATOM 0 HA ASP A 66 13.965 13.447 -15.020 1.00 1.00 H new ATOM 0 HB2 ASP A 66 11.792 12.696 -15.058 1.00 1.00 H new ATOM 0 HB3 ASP A 66 11.607 14.070 -13.986 1.00 1.00 H new ATOM 1050 N GLY A 67 12.693 15.546 -17.311 1.00 1.00 N ATOM 1051 CA GLY A 67 12.699 15.894 -18.722 1.00 1.00 C ATOM 1052 C GLY A 67 13.150 17.348 -18.881 1.00 1.00 C ATOM 1053 O GLY A 67 12.295 18.204 -19.151 1.00 1.00 O ATOM 0 H GLY A 67 12.145 16.177 -16.726 1.00 1.00 H new ATOM 0 HA2 GLY A 67 13.369 15.231 -19.269 1.00 1.00 H new ATOM 0 HA3 GLY A 67 11.703 15.761 -19.146 1.00 1.00 H new ATOM 1057 N PRO A 68 14.462 17.593 -18.715 1.00 1.00 N ATOM 1058 CA PRO A 68 15.052 18.916 -18.832 1.00 1.00 C ATOM 1059 C PRO A 68 15.210 19.317 -20.300 1.00 1.00 C ATOM 1060 O PRO A 68 16.333 19.655 -20.701 1.00 1.00 O ATOM 1061 CB PRO A 68 16.378 18.822 -18.096 1.00 1.00 C ATOM 1062 CG PRO A 68 16.695 17.338 -17.996 1.00 1.00 C ATOM 1063 CD PRO A 68 15.431 16.567 -18.339 1.00 1.00 C ATOM 0 HA PRO A 68 14.426 19.696 -18.399 1.00 1.00 H new ATOM 0 HB2 PRO A 68 17.162 19.353 -18.635 1.00 1.00 H new ATOM 0 HB3 PRO A 68 16.308 19.274 -17.107 1.00 1.00 H new ATOM 0 HG2 PRO A 68 17.501 17.073 -18.680 1.00 1.00 H new ATOM 0 HG3 PRO A 68 17.034 17.087 -16.991 1.00 1.00 H new ATOM 0 HD2 PRO A 68 15.604 15.867 -19.156 1.00 1.00 H new ATOM 0 HD3 PRO A 68 15.080 15.983 -17.488 1.00 1.00 H new ATOM 1071 N ASN A 69 14.100 19.274 -21.059 1.00 1.00 N ATOM 1072 CA ASN A 69 14.116 19.631 -22.467 1.00 1.00 C ATOM 1073 C ASN A 69 14.901 18.575 -23.248 1.00 1.00 C ATOM 1074 O ASN A 69 15.449 18.911 -24.308 1.00 1.00 O ATOM 1075 CB ASN A 69 14.798 20.983 -22.685 1.00 1.00 C ATOM 1076 CG ASN A 69 14.125 21.760 -23.818 1.00 1.00 C ATOM 1077 OD1 ASN A 69 14.757 22.198 -24.765 1.00 1.00 O ATOM 1078 ND2 ASN A 69 12.812 21.906 -23.669 1.00 1.00 N ATOM 0 H ASN A 69 13.184 18.993 -20.709 1.00 1.00 H new ATOM 0 HA ASN A 69 13.083 19.688 -22.812 1.00 1.00 H new ATOM 0 HB2 ASN A 69 14.758 21.567 -21.765 1.00 1.00 H new ATOM 0 HB3 ASN A 69 15.851 20.829 -22.920 1.00 1.00 H new ATOM 0 HD21 ASN A 69 12.272 22.410 -24.372 1.00 1.00 H new ATOM 0 HD22 ASN A 69 12.345 21.514 -22.851 1.00 1.00 H new ATOM 1085 N GLY A 70 14.938 17.339 -22.718 1.00 1.00 N ATOM 1086 CA GLY A 70 15.649 16.247 -23.361 1.00 1.00 C ATOM 1087 C GLY A 70 16.200 15.302 -22.290 1.00 1.00 C ATOM 1088 O GLY A 70 16.983 15.761 -21.446 1.00 1.00 O ATOM 0 H GLY A 70 14.479 17.083 -21.844 1.00 1.00 H new ATOM 0 HA2 GLY A 70 14.980 15.706 -24.030 1.00 1.00 H new ATOM 0 HA3 GLY A 70 16.463 16.637 -23.972 1.00 1.00 H new ATOM 1092 N PHE A 71 15.786 14.024 -22.345 1.00 1.00 N ATOM 1093 CA PHE A 71 16.236 13.028 -21.387 1.00 1.00 C ATOM 1094 C PHE A 71 15.776 11.642 -21.845 1.00 1.00 C ATOM 1095 O PHE A 71 15.559 11.420 -23.035 1.00 1.00 O ATOM 1096 CB PHE A 71 15.659 13.363 -19.998 1.00 1.00 C ATOM 1097 CG PHE A 71 15.375 12.153 -19.119 1.00 1.00 C ATOM 1098 CD1 PHE A 71 14.253 11.330 -19.377 1.00 1.00 C ATOM 1099 CD2 PHE A 71 16.229 11.848 -18.034 1.00 1.00 C ATOM 1100 CE1 PHE A 71 13.990 10.212 -18.558 1.00 1.00 C ATOM 1101 CE2 PHE A 71 15.965 10.729 -17.215 1.00 1.00 C ATOM 1102 CZ PHE A 71 14.846 9.911 -17.477 1.00 1.00 C ATOM 0 H PHE A 71 15.139 13.667 -23.048 1.00 1.00 H new ATOM 0 HA PHE A 71 17.324 13.031 -21.324 1.00 1.00 H new ATOM 0 HB2 PHE A 71 16.358 14.017 -19.477 1.00 1.00 H new ATOM 0 HB3 PHE A 71 14.734 13.925 -20.129 1.00 1.00 H new ATOM 0 HD1 PHE A 71 13.596 11.559 -20.203 1.00 1.00 H new ATOM 0 HD2 PHE A 71 17.086 12.473 -17.831 1.00 1.00 H new ATOM 0 HE1 PHE A 71 13.133 9.586 -18.758 1.00 1.00 H new ATOM 0 HE2 PHE A 71 16.620 10.499 -16.388 1.00 1.00 H new ATOM 0 HZ PHE A 71 14.644 9.055 -16.851 1.00 1.00 H new TER 1112 PHE A 71