USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 575 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 64 SER OG : rot 40:sc= -0.523 USER MOD Set 1.2: A 69 ASN : amide:sc= 0.624 K(o=0.1,f=-0.8) USER MOD Set 2.1: A 18 CYS SG : rot 25:sc= 0.246 USER MOD Set 2.2: A 55 HIS : no HD1:sc= 0.00904 X(o=0.8,f=0.48) USER MOD Set 2.3: A 91 TYR OH : rot 130:sc= -0.0765 USER MOD Set 2.4: A 93 CYS SG : rot 120:sc= 0.174 USER MOD Set 2.5: A 95 CYS SG : rot -133:sc= 0.444 USER MOD Set 3.1: A 24 LYS NZ :NH3+ 147:sc= 0.88 (180deg=0) USER MOD Set 3.2: A 51 SER OG : rot -132:sc= 2.42 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.632 X(o=-0.63,f=-0.89) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00928) USER MOD Single : A 16 GLN : amide:sc= -0.197 K(o=-0.2,f=-1) USER MOD Single : A 23 THR OG1 : rot -137:sc= 1.35 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.962 K(o=0.96,f=-0.0028) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -116:sc= -0.104 (180deg=-1.03) USER MOD Single : A 66 LYS NZ :NH3+ 169:sc= -0.0171 (180deg=-0.191) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -170:sc= -0.423 (180deg=-0.833) USER MOD Single : A 75 LYS NZ :NH3+ -158:sc= 0.783 (180deg=-0.742) USER MOD Single : A 76 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.16) USER MOD Single : A 80 LYS NZ :NH3+ -154:sc= 1.21 (180deg=0.731) USER MOD Single : A 85 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.022) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.0429 X(o=-0.043,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0.075) USER MOD ----------------------------------------------------------------- ATOM 59 N ILE A 5 -3.867 -4.605 1.300 1.00 14.14 N ATOM 60 CA ILE A 5 -4.966 -4.572 2.248 1.00 20.23 C ATOM 61 C ILE A 5 -5.942 -5.730 2.020 1.00 12.22 C ATOM 62 O ILE A 5 -6.509 -6.267 2.969 1.00 10.12 O ATOM 63 CB ILE A 5 -5.710 -3.214 2.157 1.00 4.11 C ATOM 64 CG1 ILE A 5 -6.039 -2.684 3.554 1.00 61.42 C ATOM 65 CG2 ILE A 5 -6.976 -3.319 1.305 1.00 64.52 C ATOM 66 CD1 ILE A 5 -6.962 -3.570 4.352 1.00 71.22 C ATOM 0 HA ILE A 5 -4.548 -4.684 3.248 1.00 20.23 H new ATOM 0 HB ILE A 5 -5.043 -2.506 1.666 1.00 4.11 H new ATOM 0 HG12 ILE A 5 -5.110 -2.554 4.109 1.00 61.42 H new ATOM 0 HG13 ILE A 5 -6.494 -1.698 3.458 1.00 61.42 H new ATOM 0 HG21 ILE A 5 -7.469 -2.348 1.265 1.00 64.52 H new ATOM 0 HG22 ILE A 5 -6.710 -3.633 0.296 1.00 64.52 H new ATOM 0 HG23 ILE A 5 -7.652 -4.051 1.746 1.00 64.52 H new ATOM 0 HD11 ILE A 5 -7.143 -3.121 5.328 1.00 71.22 H new ATOM 0 HD12 ILE A 5 -7.908 -3.681 3.822 1.00 71.22 H new ATOM 0 HD13 ILE A 5 -6.503 -4.550 4.483 1.00 71.22 H new ATOM 78 N GLU A 6 -6.110 -6.136 0.769 1.00 50.04 N ATOM 79 CA GLU A 6 -7.086 -7.157 0.435 1.00 61.41 C ATOM 80 C GLU A 6 -6.654 -8.498 0.994 1.00 64.30 C ATOM 81 O GLU A 6 -7.485 -9.300 1.414 1.00 54.32 O ATOM 82 CB GLU A 6 -7.298 -7.219 -1.077 1.00 63.33 C ATOM 83 CG GLU A 6 -8.015 -5.991 -1.614 1.00 60.23 C ATOM 84 CD GLU A 6 -8.003 -5.908 -3.123 1.00 2.54 C ATOM 85 OE1 GLU A 6 -8.566 -6.811 -3.780 1.00 3.41 O ATOM 86 OE2 GLU A 6 -7.439 -4.929 -3.656 1.00 51.41 O ATOM 0 H GLU A 6 -5.584 -5.774 -0.027 1.00 50.04 H new ATOM 0 HA GLU A 6 -8.042 -6.898 0.891 1.00 61.41 H new ATOM 0 HB2 GLU A 6 -6.332 -7.318 -1.573 1.00 63.33 H new ATOM 0 HB3 GLU A 6 -7.875 -8.110 -1.324 1.00 63.33 H new ATOM 0 HG2 GLU A 6 -9.048 -5.999 -1.265 1.00 60.23 H new ATOM 0 HG3 GLU A 6 -7.547 -5.096 -1.203 1.00 60.23 H new ATOM 93 N HIS A 7 -5.346 -8.719 1.042 1.00 22.34 N ATOM 94 CA HIS A 7 -4.813 -9.925 1.649 1.00 71.24 C ATOM 95 C HIS A 7 -5.150 -9.940 3.132 1.00 72.21 C ATOM 96 O HIS A 7 -5.509 -10.978 3.684 1.00 3.25 O ATOM 97 CB HIS A 7 -3.298 -10.020 1.447 1.00 13.14 C ATOM 98 CG HIS A 7 -2.730 -11.353 1.828 1.00 0.12 C ATOM 99 ND1 HIS A 7 -1.807 -11.539 2.830 1.00 11.41 N ATOM 100 CD2 HIS A 7 -2.974 -12.584 1.309 1.00 11.21 C ATOM 101 CE1 HIS A 7 -1.524 -12.845 2.892 1.00 13.05 C ATOM 102 NE2 HIS A 7 -2.207 -13.525 1.988 1.00 4.43 N ATOM 0 H HIS A 7 -4.642 -8.082 0.670 1.00 22.34 H new ATOM 0 HA HIS A 7 -5.269 -10.789 1.165 1.00 71.24 H new ATOM 0 HB2 HIS A 7 -3.065 -9.819 0.401 1.00 13.14 H new ATOM 0 HB3 HIS A 7 -2.811 -9.244 2.037 1.00 13.14 H new ATOM 0 HD2 HIS A 7 -3.655 -12.798 0.498 1.00 11.21 H new ATOM 0 HE1 HIS A 7 -0.828 -13.286 3.590 1.00 13.05 H new ATOM 0 HE2 HIS A 7 -2.178 -14.531 1.822 1.00 4.43 H new ATOM 110 N LYS A 8 -5.061 -8.771 3.762 1.00 20.11 N ATOM 111 CA LYS A 8 -5.390 -8.641 5.179 1.00 53.40 C ATOM 112 C LYS A 8 -6.858 -8.982 5.408 1.00 52.24 C ATOM 113 O LYS A 8 -7.190 -9.762 6.301 1.00 42.42 O ATOM 114 CB LYS A 8 -5.133 -7.214 5.677 1.00 41.35 C ATOM 115 CG LYS A 8 -3.897 -6.544 5.097 1.00 22.22 C ATOM 116 CD LYS A 8 -2.623 -7.307 5.406 1.00 42.25 C ATOM 117 CE LYS A 8 -1.398 -6.515 4.966 1.00 73.42 C ATOM 118 NZ LYS A 8 -0.127 -7.167 5.381 1.00 33.43 N ATOM 0 H LYS A 8 -4.765 -7.903 3.315 1.00 20.11 H new ATOM 0 HA LYS A 8 -4.753 -9.331 5.732 1.00 53.40 H new ATOM 0 HB2 LYS A 8 -6.004 -6.601 5.443 1.00 41.35 H new ATOM 0 HB3 LYS A 8 -5.041 -7.235 6.763 1.00 41.35 H new ATOM 0 HG2 LYS A 8 -4.010 -6.454 4.017 1.00 22.22 H new ATOM 0 HG3 LYS A 8 -3.816 -5.532 5.494 1.00 22.22 H new ATOM 0 HD2 LYS A 8 -2.566 -7.510 6.475 1.00 42.25 H new ATOM 0 HD3 LYS A 8 -2.639 -8.272 4.899 1.00 42.25 H new ATOM 0 HE2 LYS A 8 -1.410 -6.404 3.882 1.00 73.42 H new ATOM 0 HE3 LYS A 8 -1.445 -5.512 5.390 1.00 73.42 H new ATOM 0 HZ1 LYS A 8 0.679 -6.593 5.060 1.00 33.43 H new ATOM 0 HZ2 LYS A 8 -0.102 -7.250 6.417 1.00 33.43 H new ATOM 0 HZ3 LYS A 8 -0.068 -8.114 4.956 1.00 33.43 H new ATOM 132 N VAL A 9 -7.727 -8.387 4.589 1.00 13.25 N ATOM 133 CA VAL A 9 -9.168 -8.611 4.687 1.00 72.11 C ATOM 134 C VAL A 9 -9.499 -10.094 4.609 1.00 75.40 C ATOM 135 O VAL A 9 -10.234 -10.620 5.445 1.00 54.03 O ATOM 136 CB VAL A 9 -9.940 -7.876 3.569 1.00 61.34 C ATOM 137 CG1 VAL A 9 -11.440 -8.086 3.718 1.00 63.35 C ATOM 138 CG2 VAL A 9 -9.608 -6.396 3.569 1.00 13.41 C ATOM 0 H VAL A 9 -7.454 -7.743 3.847 1.00 13.25 H new ATOM 0 HA VAL A 9 -9.476 -8.214 5.654 1.00 72.11 H new ATOM 0 HB VAL A 9 -9.629 -8.297 2.613 1.00 61.34 H new ATOM 0 HG11 VAL A 9 -11.962 -7.559 2.920 1.00 63.35 H new ATOM 0 HG12 VAL A 9 -11.666 -9.151 3.659 1.00 63.35 H new ATOM 0 HG13 VAL A 9 -11.768 -7.699 4.683 1.00 63.35 H new ATOM 0 HG21 VAL A 9 -10.163 -5.899 2.774 1.00 13.41 H new ATOM 0 HG22 VAL A 9 -9.883 -5.961 4.530 1.00 13.41 H new ATOM 0 HG23 VAL A 9 -8.539 -6.263 3.403 1.00 13.41 H new ATOM 148 N TYR A 10 -8.944 -10.768 3.612 1.00 44.13 N ATOM 149 CA TYR A 10 -9.213 -12.184 3.420 1.00 2.32 C ATOM 150 C TYR A 10 -8.707 -12.979 4.615 1.00 53.31 C ATOM 151 O TYR A 10 -9.397 -13.863 5.114 1.00 60.01 O ATOM 152 CB TYR A 10 -8.553 -12.710 2.139 1.00 44.33 C ATOM 153 CG TYR A 10 -8.881 -11.923 0.883 1.00 3.54 C ATOM 154 CD1 TYR A 10 -10.020 -11.128 0.796 1.00 1.12 C ATOM 155 CD2 TYR A 10 -8.037 -11.974 -0.219 1.00 21.23 C ATOM 156 CE1 TYR A 10 -10.305 -10.410 -0.351 1.00 62.01 C ATOM 157 CE2 TYR A 10 -8.315 -11.257 -1.368 1.00 71.13 C ATOM 158 CZ TYR A 10 -9.451 -10.478 -1.430 1.00 14.50 C ATOM 159 OH TYR A 10 -9.729 -9.759 -2.574 1.00 34.32 O ATOM 0 H TYR A 10 -8.308 -10.359 2.927 1.00 44.13 H new ATOM 0 HA TYR A 10 -10.292 -12.308 3.326 1.00 2.32 H new ATOM 0 HB2 TYR A 10 -7.472 -12.711 2.278 1.00 44.33 H new ATOM 0 HB3 TYR A 10 -8.856 -13.747 1.991 1.00 44.33 H new ATOM 0 HD1 TYR A 10 -10.693 -11.071 1.639 1.00 1.12 H new ATOM 0 HD2 TYR A 10 -7.147 -12.585 -0.178 1.00 21.23 H new ATOM 0 HE1 TYR A 10 -11.194 -9.798 -0.401 1.00 62.01 H new ATOM 0 HE2 TYR A 10 -7.645 -11.307 -2.214 1.00 71.13 H new ATOM 0 HH TYR A 10 -9.026 -9.917 -3.239 1.00 34.32 H new ATOM 169 N GLN A 11 -7.513 -12.620 5.084 1.00 21.40 N ATOM 170 CA GLN A 11 -6.832 -13.347 6.153 1.00 33.45 C ATOM 171 C GLN A 11 -7.690 -13.523 7.395 1.00 2.31 C ATOM 172 O GLN A 11 -7.794 -14.623 7.937 1.00 23.30 O ATOM 173 CB GLN A 11 -5.526 -12.655 6.540 1.00 15.11 C ATOM 174 CG GLN A 11 -4.347 -13.049 5.669 1.00 32.44 C ATOM 175 CD GLN A 11 -4.220 -14.552 5.513 1.00 21.51 C ATOM 176 OE1 GLN A 11 -4.706 -15.134 4.543 1.00 32.22 O ATOM 177 NE2 GLN A 11 -3.608 -15.199 6.492 1.00 42.32 N ATOM 0 H GLN A 11 -6.991 -11.817 4.733 1.00 21.40 H new ATOM 0 HA GLN A 11 -6.623 -14.338 5.751 1.00 33.45 H new ATOM 0 HB2 GLN A 11 -5.665 -11.576 6.481 1.00 15.11 H new ATOM 0 HB3 GLN A 11 -5.294 -12.890 7.579 1.00 15.11 H new ATOM 0 HG2 GLN A 11 -4.457 -12.592 4.685 1.00 32.44 H new ATOM 0 HG3 GLN A 11 -3.429 -12.653 6.104 1.00 32.44 H new ATOM 0 HE21 GLN A 11 -3.218 -14.681 7.280 1.00 42.32 H new ATOM 0 HE22 GLN A 11 -3.526 -16.215 6.459 1.00 42.32 H new ATOM 186 N LEU A 12 -8.303 -12.449 7.843 1.00 22.43 N ATOM 187 CA LEU A 12 -9.039 -12.480 9.091 1.00 40.25 C ATOM 188 C LEU A 12 -10.500 -12.837 8.878 1.00 60.12 C ATOM 189 O LEU A 12 -11.079 -13.581 9.662 1.00 21.25 O ATOM 190 CB LEU A 12 -8.891 -11.153 9.846 1.00 15.41 C ATOM 191 CG LEU A 12 -8.633 -9.904 8.994 1.00 12.52 C ATOM 192 CD1 LEU A 12 -9.913 -9.406 8.345 1.00 50.43 C ATOM 193 CD2 LEU A 12 -8.003 -8.808 9.841 1.00 14.45 C ATOM 0 H LEU A 12 -8.308 -11.547 7.366 1.00 22.43 H new ATOM 0 HA LEU A 12 -8.606 -13.268 9.707 1.00 40.25 H new ATOM 0 HB2 LEU A 12 -9.799 -10.988 10.426 1.00 15.41 H new ATOM 0 HB3 LEU A 12 -8.072 -11.255 10.558 1.00 15.41 H new ATOM 0 HG LEU A 12 -7.939 -10.176 8.198 1.00 12.52 H new ATOM 0 HD11 LEU A 12 -9.697 -8.520 7.748 1.00 50.43 H new ATOM 0 HD12 LEU A 12 -10.322 -10.186 7.703 1.00 50.43 H new ATOM 0 HD13 LEU A 12 -10.639 -9.155 9.118 1.00 50.43 H new ATOM 0 HD21 LEU A 12 -7.825 -7.928 9.223 1.00 14.45 H new ATOM 0 HD22 LEU A 12 -8.675 -8.548 10.659 1.00 14.45 H new ATOM 0 HD23 LEU A 12 -7.056 -9.162 10.249 1.00 14.45 H new ATOM 205 N LEU A 13 -11.089 -12.335 7.808 1.00 13.24 N ATOM 206 CA LEU A 13 -12.504 -12.576 7.543 1.00 4.44 C ATOM 207 C LEU A 13 -12.799 -14.043 7.299 1.00 34.42 C ATOM 208 O LEU A 13 -13.779 -14.575 7.824 1.00 41.43 O ATOM 209 CB LEU A 13 -12.989 -11.761 6.356 1.00 2.24 C ATOM 210 CG LEU A 13 -13.107 -10.268 6.609 1.00 22.42 C ATOM 211 CD1 LEU A 13 -13.839 -9.608 5.459 1.00 32.12 C ATOM 212 CD2 LEU A 13 -13.817 -10.013 7.926 1.00 51.04 C ATOM 0 H LEU A 13 -10.617 -11.761 7.110 1.00 13.24 H new ATOM 0 HA LEU A 13 -13.040 -12.263 8.439 1.00 4.44 H new ATOM 0 HB2 LEU A 13 -12.306 -11.920 5.522 1.00 2.24 H new ATOM 0 HB3 LEU A 13 -13.963 -12.140 6.047 1.00 2.24 H new ATOM 0 HG LEU A 13 -12.109 -9.835 6.675 1.00 22.42 H new ATOM 0 HD11 LEU A 13 -13.921 -8.537 5.646 1.00 32.12 H new ATOM 0 HD12 LEU A 13 -13.287 -9.774 4.534 1.00 32.12 H new ATOM 0 HD13 LEU A 13 -14.837 -10.037 5.368 1.00 32.12 H new ATOM 0 HD21 LEU A 13 -13.895 -8.939 8.095 1.00 51.04 H new ATOM 0 HD22 LEU A 13 -14.816 -10.448 7.891 1.00 51.04 H new ATOM 0 HD23 LEU A 13 -13.251 -10.468 8.739 1.00 51.04 H new ATOM 224 N LYS A 14 -11.966 -14.695 6.500 1.00 73.33 N ATOM 225 CA LYS A 14 -12.152 -16.118 6.226 1.00 4.52 C ATOM 226 C LYS A 14 -12.018 -16.917 7.519 1.00 31.30 C ATOM 227 O LYS A 14 -12.598 -17.993 7.670 1.00 3.14 O ATOM 228 CB LYS A 14 -11.164 -16.610 5.147 1.00 43.43 C ATOM 229 CG LYS A 14 -9.717 -16.798 5.602 1.00 65.04 C ATOM 230 CD LYS A 14 -9.499 -18.129 6.311 1.00 20.44 C ATOM 231 CE LYS A 14 -8.029 -18.388 6.588 1.00 33.15 C ATOM 232 NZ LYS A 14 -7.302 -18.803 5.361 1.00 1.04 N ATOM 0 H LYS A 14 -11.164 -14.271 6.034 1.00 73.33 H new ATOM 0 HA LYS A 14 -13.156 -16.273 5.832 1.00 4.52 H new ATOM 0 HB2 LYS A 14 -11.528 -17.560 4.755 1.00 43.43 H new ATOM 0 HB3 LYS A 14 -11.175 -15.899 4.321 1.00 43.43 H new ATOM 0 HG2 LYS A 14 -9.056 -16.738 4.737 1.00 65.04 H new ATOM 0 HG3 LYS A 14 -9.441 -15.983 6.271 1.00 65.04 H new ATOM 0 HD2 LYS A 14 -10.052 -18.135 7.250 1.00 20.44 H new ATOM 0 HD3 LYS A 14 -9.901 -18.937 5.699 1.00 20.44 H new ATOM 0 HE2 LYS A 14 -7.571 -17.486 6.994 1.00 33.15 H new ATOM 0 HE3 LYS A 14 -7.933 -19.164 7.347 1.00 33.15 H new ATOM 0 HZ1 LYS A 14 -6.322 -19.052 5.606 1.00 1.04 H new ATOM 0 HZ2 LYS A 14 -7.775 -19.628 4.940 1.00 1.04 H new ATOM 0 HZ3 LYS A 14 -7.299 -18.019 4.677 1.00 1.04 H new ATOM 246 N ASP A 15 -11.269 -16.349 8.456 1.00 0.42 N ATOM 247 CA ASP A 15 -10.993 -16.988 9.733 1.00 51.24 C ATOM 248 C ASP A 15 -12.189 -16.877 10.670 1.00 31.11 C ATOM 249 O ASP A 15 -12.545 -17.836 11.357 1.00 42.34 O ATOM 250 CB ASP A 15 -9.773 -16.333 10.371 1.00 31.41 C ATOM 251 CG ASP A 15 -9.405 -16.938 11.706 1.00 54.42 C ATOM 252 OD1 ASP A 15 -8.786 -18.019 11.727 1.00 0.02 O ATOM 253 OD2 ASP A 15 -9.716 -16.320 12.745 1.00 61.21 O ATOM 0 H ASP A 15 -10.836 -15.431 8.350 1.00 0.42 H new ATOM 0 HA ASP A 15 -10.797 -18.046 9.558 1.00 51.24 H new ATOM 0 HB2 ASP A 15 -8.924 -16.421 9.693 1.00 31.41 H new ATOM 0 HB3 ASP A 15 -9.967 -15.268 10.502 1.00 31.41 H new ATOM 258 N GLN A 16 -12.807 -15.699 10.691 1.00 74.42 N ATOM 259 CA GLN A 16 -13.980 -15.454 11.540 1.00 22.43 C ATOM 260 C GLN A 16 -15.171 -16.267 11.060 1.00 60.22 C ATOM 261 O GLN A 16 -16.134 -16.482 11.797 1.00 5.53 O ATOM 262 CB GLN A 16 -14.370 -13.975 11.543 1.00 34.13 C ATOM 263 CG GLN A 16 -13.200 -13.036 11.613 1.00 43.33 C ATOM 264 CD GLN A 16 -13.428 -11.900 12.581 1.00 54.05 C ATOM 265 OE1 GLN A 16 -14.061 -12.062 13.620 1.00 55.20 O ATOM 266 NE2 GLN A 16 -12.944 -10.732 12.218 1.00 52.50 N ATOM 0 H GLN A 16 -12.519 -14.896 10.132 1.00 74.42 H new ATOM 0 HA GLN A 16 -13.708 -15.755 12.552 1.00 22.43 H new ATOM 0 HB2 GLN A 16 -14.943 -13.759 10.641 1.00 34.13 H new ATOM 0 HB3 GLN A 16 -15.027 -13.785 12.392 1.00 34.13 H new ATOM 0 HG2 GLN A 16 -12.310 -13.591 11.912 1.00 43.33 H new ATOM 0 HG3 GLN A 16 -13.004 -12.630 10.621 1.00 43.33 H new ATOM 0 HE21 GLN A 16 -12.424 -10.645 11.345 1.00 52.50 H new ATOM 0 HE22 GLN A 16 -13.089 -9.914 12.809 1.00 52.50 H new ATOM 275 N GLY A 17 -15.101 -16.697 9.816 1.00 70.24 N ATOM 276 CA GLY A 17 -16.174 -17.462 9.241 1.00 54.41 C ATOM 277 C GLY A 17 -16.903 -16.691 8.170 1.00 71.15 C ATOM 278 O GLY A 17 -18.135 -16.710 8.102 1.00 52.53 O ATOM 0 H GLY A 17 -14.313 -16.527 9.191 1.00 70.24 H new ATOM 0 HA2 GLY A 17 -15.776 -18.384 8.817 1.00 54.41 H new ATOM 0 HA3 GLY A 17 -16.876 -17.748 10.024 1.00 54.41 H new ATOM 282 N CYS A 18 -16.155 -15.972 7.352 1.00 10.51 N ATOM 283 CA CYS A 18 -16.746 -15.314 6.203 1.00 74.42 C ATOM 284 C CYS A 18 -16.008 -15.695 4.931 1.00 11.40 C ATOM 285 O CYS A 18 -14.783 -15.731 4.910 1.00 75.31 O ATOM 286 CB CYS A 18 -16.713 -13.792 6.370 1.00 22.55 C ATOM 287 SG CYS A 18 -18.030 -12.942 5.445 1.00 41.01 S ATOM 0 H CYS A 18 -15.151 -15.830 7.460 1.00 10.51 H new ATOM 0 HA CYS A 18 -17.783 -15.642 6.130 1.00 74.42 H new ATOM 0 HB2 CYS A 18 -16.804 -13.547 7.428 1.00 22.55 H new ATOM 0 HB3 CYS A 18 -15.745 -13.417 6.038 1.00 22.55 H new ATOM 0 HG CYS A 18 -19.028 -13.755 5.264 1.00 41.01 H new ATOM 292 N GLU A 19 -16.749 -16.003 3.880 1.00 23.00 N ATOM 293 CA GLU A 19 -16.146 -16.166 2.559 1.00 51.35 C ATOM 294 C GLU A 19 -16.815 -15.222 1.569 1.00 21.10 C ATOM 295 O GLU A 19 -16.513 -15.228 0.377 1.00 12.55 O ATOM 296 CB GLU A 19 -16.264 -17.612 2.061 1.00 13.21 C ATOM 297 CG GLU A 19 -17.671 -18.014 1.646 1.00 43.13 C ATOM 298 CD GLU A 19 -18.620 -18.091 2.815 1.00 60.35 C ATOM 299 OE1 GLU A 19 -18.697 -19.157 3.465 1.00 35.24 O ATOM 300 OE2 GLU A 19 -19.271 -17.072 3.104 1.00 11.11 O ATOM 0 H GLU A 19 -17.759 -16.145 3.909 1.00 23.00 H new ATOM 0 HA GLU A 19 -15.086 -15.925 2.640 1.00 51.35 H new ATOM 0 HB2 GLU A 19 -15.594 -17.748 1.212 1.00 13.21 H new ATOM 0 HB3 GLU A 19 -15.923 -18.285 2.848 1.00 13.21 H new ATOM 0 HG2 GLU A 19 -18.051 -17.295 0.921 1.00 43.13 H new ATOM 0 HG3 GLU A 19 -17.636 -18.982 1.147 1.00 43.13 H new ATOM 307 N ASP A 20 -17.708 -14.392 2.088 1.00 12.34 N ATOM 308 CA ASP A 20 -18.548 -13.551 1.255 1.00 30.05 C ATOM 309 C ASP A 20 -18.061 -12.105 1.273 1.00 73.11 C ATOM 310 O ASP A 20 -18.539 -11.285 2.064 1.00 53.14 O ATOM 311 CB ASP A 20 -19.995 -13.612 1.742 1.00 12.42 C ATOM 312 CG ASP A 20 -20.977 -13.159 0.686 1.00 75.51 C ATOM 313 OD1 ASP A 20 -21.234 -11.944 0.575 1.00 23.35 O ATOM 314 OD2 ASP A 20 -21.506 -14.028 -0.032 1.00 51.23 O ATOM 0 H ASP A 20 -17.868 -14.284 3.090 1.00 12.34 H new ATOM 0 HA ASP A 20 -18.492 -13.922 0.232 1.00 30.05 H new ATOM 0 HB2 ASP A 20 -20.232 -14.633 2.041 1.00 12.42 H new ATOM 0 HB3 ASP A 20 -20.104 -12.987 2.628 1.00 12.42 H new ATOM 319 N PHE A 21 -17.071 -11.823 0.440 1.00 44.34 N ATOM 320 CA PHE A 21 -16.499 -10.482 0.317 1.00 24.44 C ATOM 321 C PHE A 21 -15.589 -10.409 -0.903 1.00 53.20 C ATOM 322 O PHE A 21 -15.055 -11.427 -1.346 1.00 52.11 O ATOM 323 CB PHE A 21 -15.722 -10.097 1.586 1.00 41.52 C ATOM 324 CG PHE A 21 -14.851 -11.195 2.136 1.00 43.33 C ATOM 325 CD1 PHE A 21 -13.566 -11.403 1.659 1.00 65.41 C ATOM 326 CD2 PHE A 21 -15.326 -12.021 3.139 1.00 32.24 C ATOM 327 CE1 PHE A 21 -12.777 -12.416 2.174 1.00 43.34 C ATOM 328 CE2 PHE A 21 -14.545 -13.029 3.653 1.00 54.42 C ATOM 329 CZ PHE A 21 -13.270 -13.230 3.173 1.00 15.30 C ATOM 0 H PHE A 21 -16.638 -12.515 -0.172 1.00 44.34 H new ATOM 0 HA PHE A 21 -17.317 -9.772 0.192 1.00 24.44 H new ATOM 0 HB2 PHE A 21 -15.099 -9.230 1.367 1.00 41.52 H new ATOM 0 HB3 PHE A 21 -16.432 -9.793 2.355 1.00 41.52 H new ATOM 0 HD1 PHE A 21 -13.177 -10.768 0.877 1.00 65.41 H new ATOM 0 HD2 PHE A 21 -16.324 -11.872 3.524 1.00 32.24 H new ATOM 0 HE1 PHE A 21 -11.777 -12.569 1.795 1.00 43.34 H new ATOM 0 HE2 PHE A 21 -14.932 -13.665 4.435 1.00 54.42 H new ATOM 0 HZ PHE A 21 -12.658 -14.022 3.577 1.00 15.30 H new ATOM 339 N GLY A 22 -15.422 -9.211 -1.447 1.00 33.23 N ATOM 340 CA GLY A 22 -14.582 -9.037 -2.613 1.00 11.53 C ATOM 341 C GLY A 22 -14.499 -7.588 -3.045 1.00 55.03 C ATOM 342 O GLY A 22 -15.324 -6.770 -2.648 1.00 1.34 O ATOM 0 H GLY A 22 -15.855 -8.355 -1.100 1.00 33.23 H new ATOM 0 HA2 GLY A 22 -13.580 -9.408 -2.396 1.00 11.53 H new ATOM 0 HA3 GLY A 22 -14.973 -9.638 -3.434 1.00 11.53 H new ATOM 346 N THR A 23 -13.505 -7.267 -3.852 1.00 41.42 N ATOM 347 CA THR A 23 -13.312 -5.908 -4.331 1.00 41.21 C ATOM 348 C THR A 23 -13.964 -5.694 -5.693 1.00 35.32 C ATOM 349 O THR A 23 -14.083 -6.628 -6.489 1.00 12.13 O ATOM 350 CB THR A 23 -11.814 -5.588 -4.439 1.00 21.31 C ATOM 351 OG1 THR A 23 -11.080 -6.794 -4.714 1.00 31.20 O ATOM 352 CG2 THR A 23 -11.301 -4.946 -3.164 1.00 11.34 C ATOM 0 H THR A 23 -12.813 -7.934 -4.193 1.00 41.42 H new ATOM 0 HA THR A 23 -13.784 -5.241 -3.610 1.00 41.21 H new ATOM 0 HB THR A 23 -11.670 -4.880 -5.256 1.00 21.31 H new ATOM 0 HG1 THR A 23 -10.270 -6.817 -4.163 1.00 31.20 H new ATOM 0 HG21 THR A 23 -10.238 -4.730 -3.268 1.00 11.34 H new ATOM 0 HG22 THR A 23 -11.843 -4.019 -2.980 1.00 11.34 H new ATOM 0 HG23 THR A 23 -11.453 -5.627 -2.327 1.00 11.34 H new ATOM 360 N LYS A 24 -14.398 -4.469 -5.952 1.00 1.43 N ATOM 361 CA LYS A 24 -14.881 -4.102 -7.272 1.00 72.52 C ATOM 362 C LYS A 24 -14.391 -2.711 -7.641 1.00 2.50 C ATOM 363 O LYS A 24 -14.220 -1.854 -6.775 1.00 32.51 O ATOM 364 CB LYS A 24 -16.420 -4.185 -7.357 1.00 4.33 C ATOM 365 CG LYS A 24 -17.193 -3.206 -6.469 1.00 4.44 C ATOM 366 CD LYS A 24 -17.339 -1.825 -7.099 1.00 61.03 C ATOM 367 CE LYS A 24 -18.426 -1.013 -6.408 1.00 53.45 C ATOM 368 NZ LYS A 24 -18.381 0.427 -6.781 1.00 2.42 N ATOM 0 H LYS A 24 -14.425 -3.715 -5.266 1.00 1.43 H new ATOM 0 HA LYS A 24 -14.479 -4.817 -7.990 1.00 72.52 H new ATOM 0 HB2 LYS A 24 -16.717 -4.018 -8.392 1.00 4.33 H new ATOM 0 HB3 LYS A 24 -16.725 -5.199 -7.098 1.00 4.33 H new ATOM 0 HG2 LYS A 24 -18.183 -3.613 -6.264 1.00 4.44 H new ATOM 0 HG3 LYS A 24 -16.682 -3.111 -5.511 1.00 4.44 H new ATOM 0 HD2 LYS A 24 -16.390 -1.293 -7.037 1.00 61.03 H new ATOM 0 HD3 LYS A 24 -17.578 -1.929 -8.157 1.00 61.03 H new ATOM 0 HE2 LYS A 24 -19.402 -1.423 -6.667 1.00 53.45 H new ATOM 0 HE3 LYS A 24 -18.317 -1.109 -5.328 1.00 53.45 H new ATOM 0 HZ1 LYS A 24 -19.346 0.814 -6.788 1.00 2.42 H new ATOM 0 HZ2 LYS A 24 -17.804 0.947 -6.089 1.00 2.42 H new ATOM 0 HZ3 LYS A 24 -17.961 0.528 -7.727 1.00 2.42 H new ATOM 743 N TYR A 47 -14.968 8.199 -13.745 1.00 33.42 N ATOM 744 CA TYR A 47 -14.162 8.015 -12.556 1.00 71.52 C ATOM 745 C TYR A 47 -14.062 6.538 -12.210 1.00 71.12 C ATOM 746 O TYR A 47 -14.940 5.753 -12.556 1.00 40.31 O ATOM 747 CB TYR A 47 -14.772 8.796 -11.387 1.00 74.12 C ATOM 748 CG TYR A 47 -14.671 10.300 -11.535 1.00 0.34 C ATOM 749 CD1 TYR A 47 -15.650 11.037 -12.201 1.00 23.31 C ATOM 750 CD2 TYR A 47 -13.587 10.984 -11.004 1.00 42.01 C ATOM 751 CE1 TYR A 47 -15.542 12.408 -12.330 1.00 21.44 C ATOM 752 CE2 TYR A 47 -13.474 12.354 -11.130 1.00 34.14 C ATOM 753 CZ TYR A 47 -14.454 13.061 -11.793 1.00 62.42 C ATOM 754 OH TYR A 47 -14.342 14.425 -11.925 1.00 54.43 O ATOM 0 HA TYR A 47 -13.158 8.393 -12.747 1.00 71.52 H new ATOM 0 HB2 TYR A 47 -15.822 8.520 -11.287 1.00 74.12 H new ATOM 0 HB3 TYR A 47 -14.275 8.497 -10.464 1.00 74.12 H new ATOM 0 HD1 TYR A 47 -16.505 10.528 -12.622 1.00 23.31 H new ATOM 0 HD2 TYR A 47 -12.817 10.434 -10.482 1.00 42.01 H new ATOM 0 HE1 TYR A 47 -16.307 12.966 -12.850 1.00 21.44 H new ATOM 0 HE2 TYR A 47 -12.622 12.869 -10.711 1.00 34.14 H new ATOM 0 HH TYR A 47 -13.518 14.729 -11.490 1.00 54.43 H new ATOM 764 N TYR A 48 -12.985 6.159 -11.553 1.00 50.21 N ATOM 765 CA TYR A 48 -12.812 4.788 -11.115 1.00 23.22 C ATOM 766 C TYR A 48 -13.441 4.593 -9.745 1.00 41.32 C ATOM 767 O TYR A 48 -12.926 5.084 -8.739 1.00 63.02 O ATOM 768 CB TYR A 48 -11.331 4.412 -11.080 1.00 13.00 C ATOM 769 CG TYR A 48 -10.827 3.817 -12.378 1.00 25.52 C ATOM 770 CD1 TYR A 48 -11.311 4.254 -13.606 1.00 63.31 C ATOM 771 CD2 TYR A 48 -9.876 2.805 -12.373 1.00 40.42 C ATOM 772 CE1 TYR A 48 -10.856 3.703 -14.789 1.00 54.24 C ATOM 773 CE2 TYR A 48 -9.417 2.249 -13.552 1.00 51.20 C ATOM 774 CZ TYR A 48 -9.910 2.701 -14.755 1.00 40.53 C ATOM 775 OH TYR A 48 -9.457 2.144 -15.930 1.00 31.33 O ATOM 0 H TYR A 48 -12.215 6.782 -11.310 1.00 50.21 H new ATOM 0 HA TYR A 48 -13.312 4.133 -11.828 1.00 23.22 H new ATOM 0 HB2 TYR A 48 -10.744 5.300 -10.845 1.00 13.00 H new ATOM 0 HB3 TYR A 48 -11.165 3.698 -10.274 1.00 13.00 H new ATOM 0 HD1 TYR A 48 -12.055 5.037 -13.636 1.00 63.31 H new ATOM 0 HD2 TYR A 48 -9.488 2.446 -11.431 1.00 40.42 H new ATOM 0 HE1 TYR A 48 -11.240 4.056 -15.735 1.00 54.24 H new ATOM 0 HE2 TYR A 48 -8.675 1.464 -13.530 1.00 51.20 H new ATOM 0 HH TYR A 48 -8.792 1.453 -15.729 1.00 31.33 H new ATOM 785 N GLY A 49 -14.563 3.895 -9.714 1.00 35.44 N ATOM 786 CA GLY A 49 -15.265 3.679 -8.468 1.00 60.53 C ATOM 787 C GLY A 49 -14.805 2.422 -7.756 1.00 0.02 C ATOM 788 O GLY A 49 -15.485 1.391 -7.797 1.00 24.22 O ATOM 0 H GLY A 49 -15.002 3.473 -10.532 1.00 35.44 H new ATOM 0 HA2 GLY A 49 -15.114 4.539 -7.815 1.00 60.53 H new ATOM 0 HA3 GLY A 49 -16.335 3.611 -8.664 1.00 60.53 H new ATOM 792 N PHE A 50 -13.643 2.507 -7.114 1.00 52.21 N ATOM 793 CA PHE A 50 -13.109 1.399 -6.329 1.00 31.14 C ATOM 794 C PHE A 50 -13.899 1.234 -5.040 1.00 73.11 C ATOM 795 O PHE A 50 -14.250 2.218 -4.386 1.00 2.14 O ATOM 796 CB PHE A 50 -11.629 1.624 -6.008 1.00 2.52 C ATOM 797 CG PHE A 50 -10.692 0.992 -6.996 1.00 33.32 C ATOM 798 CD1 PHE A 50 -10.274 1.676 -8.126 1.00 51.01 C ATOM 799 CD2 PHE A 50 -10.228 -0.296 -6.788 1.00 42.31 C ATOM 800 CE1 PHE A 50 -9.414 1.090 -9.024 1.00 15.54 C ATOM 801 CE2 PHE A 50 -9.365 -0.890 -7.687 1.00 74.54 C ATOM 802 CZ PHE A 50 -8.956 -0.194 -8.806 1.00 43.12 C ATOM 0 H PHE A 50 -13.050 3.337 -7.123 1.00 52.21 H new ATOM 0 HA PHE A 50 -13.202 0.489 -6.921 1.00 31.14 H new ATOM 0 HB2 PHE A 50 -11.434 2.696 -5.970 1.00 2.52 H new ATOM 0 HB3 PHE A 50 -11.418 1.227 -5.015 1.00 2.52 H new ATOM 0 HD1 PHE A 50 -10.628 2.681 -8.303 1.00 51.01 H new ATOM 0 HD2 PHE A 50 -10.545 -0.842 -5.912 1.00 42.31 H new ATOM 0 HE1 PHE A 50 -9.096 1.635 -9.901 1.00 15.54 H new ATOM 0 HE2 PHE A 50 -9.011 -1.896 -7.515 1.00 74.54 H new ATOM 0 HZ PHE A 50 -8.278 -0.653 -9.511 1.00 43.12 H new ATOM 812 N SER A 51 -14.210 -0.005 -4.694 1.00 34.14 N ATOM 813 CA SER A 51 -14.976 -0.293 -3.492 1.00 2.44 C ATOM 814 C SER A 51 -14.725 -1.721 -3.023 1.00 62.34 C ATOM 815 O SER A 51 -14.376 -2.593 -3.822 1.00 41.13 O ATOM 816 CB SER A 51 -16.469 -0.115 -3.765 1.00 64.13 C ATOM 817 OG SER A 51 -16.723 1.038 -4.555 1.00 40.14 O ATOM 0 H SER A 51 -13.943 -0.830 -5.231 1.00 34.14 H new ATOM 0 HA SER A 51 -14.658 0.401 -2.714 1.00 2.44 H new ATOM 0 HB2 SER A 51 -16.854 -0.998 -4.275 1.00 64.13 H new ATOM 0 HB3 SER A 51 -17.005 -0.034 -2.819 1.00 64.13 H new ATOM 0 HG SER A 51 -17.443 1.562 -4.147 1.00 40.14 H new ATOM 823 N PHE A 52 -14.912 -1.958 -1.734 1.00 71.32 N ATOM 824 CA PHE A 52 -14.828 -3.301 -1.194 1.00 53.12 C ATOM 825 C PHE A 52 -16.206 -3.760 -0.739 1.00 23.42 C ATOM 826 O PHE A 52 -16.841 -3.109 0.102 1.00 25.44 O ATOM 827 CB PHE A 52 -13.839 -3.386 -0.027 1.00 63.14 C ATOM 828 CG PHE A 52 -13.528 -4.806 0.352 1.00 21.20 C ATOM 829 CD1 PHE A 52 -14.400 -5.537 1.144 1.00 63.43 C ATOM 830 CD2 PHE A 52 -12.379 -5.420 -0.113 1.00 73.33 C ATOM 831 CE1 PHE A 52 -14.126 -6.851 1.465 1.00 13.34 C ATOM 832 CE2 PHE A 52 -12.103 -6.734 0.199 1.00 12.15 C ATOM 833 CZ PHE A 52 -12.978 -7.449 0.988 1.00 20.33 C ATOM 0 H PHE A 52 -15.123 -1.236 -1.045 1.00 71.32 H new ATOM 0 HA PHE A 52 -14.463 -3.955 -1.985 1.00 53.12 H new ATOM 0 HB2 PHE A 52 -12.916 -2.874 -0.298 1.00 63.14 H new ATOM 0 HB3 PHE A 52 -14.252 -2.864 0.836 1.00 63.14 H new ATOM 0 HD1 PHE A 52 -15.303 -5.074 1.514 1.00 63.43 H new ATOM 0 HD2 PHE A 52 -11.689 -4.862 -0.729 1.00 73.33 H new ATOM 0 HE1 PHE A 52 -14.809 -7.410 2.088 1.00 13.34 H new ATOM 0 HE2 PHE A 52 -11.204 -7.202 -0.174 1.00 12.15 H new ATOM 0 HZ PHE A 52 -12.765 -8.479 1.233 1.00 20.33 H new ATOM 843 N PHE A 53 -16.648 -4.883 -1.291 1.00 32.44 N ATOM 844 CA PHE A 53 -17.960 -5.438 -0.987 1.00 25.35 C ATOM 845 C PHE A 53 -17.899 -6.461 0.136 1.00 4.32 C ATOM 846 O PHE A 53 -16.971 -7.267 0.215 1.00 73.44 O ATOM 847 CB PHE A 53 -18.572 -6.083 -2.227 1.00 52.01 C ATOM 848 CG PHE A 53 -19.557 -5.198 -2.920 1.00 51.42 C ATOM 849 CD1 PHE A 53 -20.881 -5.187 -2.524 1.00 40.43 C ATOM 850 CD2 PHE A 53 -19.163 -4.373 -3.955 1.00 62.43 C ATOM 851 CE1 PHE A 53 -21.800 -4.368 -3.149 1.00 54.11 C ATOM 852 CE2 PHE A 53 -20.077 -3.552 -4.588 1.00 0.24 C ATOM 853 CZ PHE A 53 -21.397 -3.549 -4.183 1.00 54.23 C ATOM 0 H PHE A 53 -16.109 -5.433 -1.960 1.00 32.44 H new ATOM 0 HA PHE A 53 -18.586 -4.609 -0.659 1.00 25.35 H new ATOM 0 HB2 PHE A 53 -17.776 -6.346 -2.923 1.00 52.01 H new ATOM 0 HB3 PHE A 53 -19.065 -7.012 -1.941 1.00 52.01 H new ATOM 0 HD1 PHE A 53 -21.201 -5.827 -1.715 1.00 40.43 H new ATOM 0 HD2 PHE A 53 -18.131 -4.369 -4.273 1.00 62.43 H new ATOM 0 HE1 PHE A 53 -22.832 -4.369 -2.829 1.00 54.11 H new ATOM 0 HE2 PHE A 53 -19.759 -2.913 -5.399 1.00 0.24 H new ATOM 0 HZ PHE A 53 -22.112 -2.907 -4.675 1.00 54.23 H new ATOM 863 N ARG A 54 -18.905 -6.419 0.992 1.00 61.14 N ATOM 864 CA ARG A 54 -19.018 -7.331 2.119 1.00 63.33 C ATOM 865 C ARG A 54 -20.487 -7.668 2.362 1.00 40.11 C ATOM 866 O ARG A 54 -21.240 -6.825 2.850 1.00 32.23 O ATOM 867 CB ARG A 54 -18.416 -6.675 3.360 1.00 52.11 C ATOM 868 CG ARG A 54 -18.754 -7.364 4.670 1.00 72.02 C ATOM 869 CD ARG A 54 -18.216 -8.782 4.732 1.00 51.44 C ATOM 870 NE ARG A 54 -18.396 -9.351 6.067 1.00 3.21 N ATOM 871 CZ ARG A 54 -17.530 -9.168 7.059 1.00 64.55 C ATOM 872 NH1 ARG A 54 -16.435 -8.467 6.836 1.00 30.43 N ATOM 873 NH2 ARG A 54 -17.769 -9.652 8.275 1.00 64.44 N ATOM 0 H ARG A 54 -19.671 -5.748 0.925 1.00 61.14 H new ATOM 0 HA ARG A 54 -18.477 -8.252 1.902 1.00 63.33 H new ATOM 0 HB2 ARG A 54 -17.332 -6.647 3.249 1.00 52.11 H new ATOM 0 HB3 ARG A 54 -18.758 -5.641 3.410 1.00 52.11 H new ATOM 0 HG2 ARG A 54 -18.344 -6.786 5.498 1.00 72.02 H new ATOM 0 HG3 ARG A 54 -19.836 -7.383 4.799 1.00 72.02 H new ATOM 0 HD2 ARG A 54 -18.728 -9.402 3.996 1.00 51.44 H new ATOM 0 HD3 ARG A 54 -17.158 -8.785 4.471 1.00 51.44 H new ATOM 0 HE ARG A 54 -19.226 -9.916 6.246 1.00 3.21 H new ATOM 0 HH11 ARG A 54 -16.261 -8.073 5.911 1.00 30.43 H new ATOM 0 HH12 ARG A 54 -15.762 -8.319 7.588 1.00 30.43 H new ATOM 0 HH21 ARG A 54 -18.627 -10.172 8.457 1.00 64.44 H new ATOM 0 HH22 ARG A 54 -17.094 -9.503 9.025 1.00 64.44 H new ATOM 887 N HIS A 55 -20.897 -8.883 1.996 1.00 14.42 N ATOM 888 CA HIS A 55 -22.298 -9.309 2.119 1.00 2.51 C ATOM 889 C HIS A 55 -23.213 -8.428 1.283 1.00 51.13 C ATOM 890 O HIS A 55 -24.387 -8.254 1.606 1.00 24.32 O ATOM 891 CB HIS A 55 -22.768 -9.277 3.575 1.00 11.14 C ATOM 892 CG HIS A 55 -22.492 -10.531 4.333 1.00 23.10 C ATOM 893 ND1 HIS A 55 -23.471 -11.410 4.745 1.00 25.35 N ATOM 894 CD2 HIS A 55 -21.320 -11.035 4.787 1.00 3.51 C ATOM 895 CE1 HIS A 55 -22.875 -12.396 5.420 1.00 12.22 C ATOM 896 NE2 HIS A 55 -21.568 -12.214 5.471 1.00 75.24 N ATOM 0 H HIS A 55 -20.278 -9.595 1.610 1.00 14.42 H new ATOM 0 HA HIS A 55 -22.349 -10.334 1.753 1.00 2.51 H new ATOM 0 HB2 HIS A 55 -22.283 -8.444 4.084 1.00 11.14 H new ATOM 0 HB3 HIS A 55 -23.840 -9.082 3.595 1.00 11.14 H new ATOM 0 HD2 HIS A 55 -20.347 -10.589 4.639 1.00 3.51 H new ATOM 0 HE1 HIS A 55 -23.393 -13.232 5.866 1.00 12.22 H new ATOM 0 HE2 HIS A 55 -20.881 -12.818 5.922 1.00 75.24 H new ATOM 904 N GLY A 56 -22.677 -7.884 0.205 1.00 10.25 N ATOM 905 CA GLY A 56 -23.453 -6.990 -0.629 1.00 64.25 C ATOM 906 C GLY A 56 -23.438 -5.562 -0.115 1.00 15.33 C ATOM 907 O GLY A 56 -24.038 -4.674 -0.718 1.00 22.15 O ATOM 0 H GLY A 56 -21.720 -8.044 -0.109 1.00 10.25 H new ATOM 0 HA2 GLY A 56 -23.059 -7.012 -1.645 1.00 64.25 H new ATOM 0 HA3 GLY A 56 -24.482 -7.345 -0.678 1.00 64.25 H new ATOM 911 N ASN A 57 -22.761 -5.338 1.007 1.00 14.03 N ATOM 912 CA ASN A 57 -22.624 -3.993 1.560 1.00 24.44 C ATOM 913 C ASN A 57 -21.288 -3.401 1.149 1.00 1.55 C ATOM 914 O ASN A 57 -20.464 -4.075 0.527 1.00 54.54 O ATOM 915 CB ASN A 57 -22.709 -3.987 3.094 1.00 73.41 C ATOM 916 CG ASN A 57 -23.885 -4.764 3.642 1.00 10.33 C ATOM 917 OD1 ASN A 57 -24.994 -4.246 3.762 1.00 60.20 O ATOM 918 ND2 ASN A 57 -23.631 -6.001 4.016 1.00 63.42 N ATOM 0 H ASN A 57 -22.300 -6.067 1.550 1.00 14.03 H new ATOM 0 HA ASN A 57 -23.449 -3.399 1.166 1.00 24.44 H new ATOM 0 HB2 ASN A 57 -21.788 -4.404 3.501 1.00 73.41 H new ATOM 0 HB3 ASN A 57 -22.773 -2.956 3.441 1.00 73.41 H new ATOM 0 HD21 ASN A 57 -24.371 -6.572 4.425 1.00 63.42 H new ATOM 0 HD22 ASN A 57 -22.695 -6.388 3.897 1.00 63.42 H new ATOM 925 N ILE A 58 -21.068 -2.153 1.521 1.00 34.25 N ATOM 926 CA ILE A 58 -19.828 -1.467 1.199 1.00 14.00 C ATOM 927 C ILE A 58 -19.044 -1.154 2.461 1.00 41.24 C ATOM 928 O ILE A 58 -19.494 -0.395 3.320 1.00 60.13 O ATOM 929 CB ILE A 58 -20.088 -0.167 0.407 1.00 24.32 C ATOM 930 CG1 ILE A 58 -20.574 -0.508 -1.001 1.00 73.44 C ATOM 931 CG2 ILE A 58 -18.835 0.701 0.347 1.00 40.44 C ATOM 932 CD1 ILE A 58 -19.525 -1.174 -1.864 1.00 21.25 C ATOM 0 H ILE A 58 -21.735 -1.591 2.049 1.00 34.25 H new ATOM 0 HA ILE A 58 -19.240 -2.137 0.571 1.00 14.00 H new ATOM 0 HB ILE A 58 -20.861 0.404 0.922 1.00 24.32 H new ATOM 0 HG12 ILE A 58 -21.441 -1.165 -0.927 1.00 73.44 H new ATOM 0 HG13 ILE A 58 -20.908 0.406 -1.492 1.00 73.44 H new ATOM 0 HG21 ILE A 58 -19.048 1.609 -0.217 1.00 40.44 H new ATOM 0 HG22 ILE A 58 -18.527 0.966 1.359 1.00 40.44 H new ATOM 0 HG23 ILE A 58 -18.033 0.149 -0.144 1.00 40.44 H new ATOM 0 HD11 ILE A 58 -19.944 -1.385 -2.848 1.00 21.25 H new ATOM 0 HD12 ILE A 58 -18.666 -0.511 -1.970 1.00 21.25 H new ATOM 0 HD13 ILE A 58 -19.208 -2.106 -1.397 1.00 21.25 H new ATOM 944 N VAL A 59 -17.880 -1.762 2.568 1.00 22.30 N ATOM 945 CA VAL A 59 -16.986 -1.519 3.691 1.00 3.54 C ATOM 946 C VAL A 59 -15.975 -0.440 3.324 1.00 61.42 C ATOM 947 O VAL A 59 -15.631 0.422 4.136 1.00 45.30 O ATOM 948 CB VAL A 59 -16.252 -2.811 4.114 1.00 20.14 C ATOM 949 CG1 VAL A 59 -15.174 -2.516 5.144 1.00 72.45 C ATOM 950 CG2 VAL A 59 -17.242 -3.822 4.665 1.00 70.15 C ATOM 0 H VAL A 59 -17.526 -2.434 1.887 1.00 22.30 H new ATOM 0 HA VAL A 59 -17.586 -1.182 4.536 1.00 3.54 H new ATOM 0 HB VAL A 59 -15.771 -3.231 3.231 1.00 20.14 H new ATOM 0 HG11 VAL A 59 -14.674 -3.443 5.423 1.00 72.45 H new ATOM 0 HG12 VAL A 59 -14.446 -1.824 4.721 1.00 72.45 H new ATOM 0 HG13 VAL A 59 -15.628 -2.068 6.028 1.00 72.45 H new ATOM 0 HG21 VAL A 59 -16.712 -4.728 4.959 1.00 70.15 H new ATOM 0 HG22 VAL A 59 -17.748 -3.400 5.533 1.00 70.15 H new ATOM 0 HG23 VAL A 59 -17.978 -4.065 3.899 1.00 70.15 H new ATOM 960 N ALA A 60 -15.518 -0.480 2.085 1.00 34.11 N ATOM 961 CA ALA A 60 -14.577 0.512 1.595 1.00 5.01 C ATOM 962 C ALA A 60 -15.073 1.102 0.290 1.00 71.25 C ATOM 963 O ALA A 60 -15.575 0.379 -0.566 1.00 23.02 O ATOM 964 CB ALA A 60 -13.200 -0.103 1.406 1.00 51.25 C ATOM 0 H ALA A 60 -15.783 -1.188 1.400 1.00 34.11 H new ATOM 0 HA ALA A 60 -14.498 1.309 2.334 1.00 5.01 H new ATOM 0 HB1 ALA A 60 -12.510 0.656 1.038 1.00 51.25 H new ATOM 0 HB2 ALA A 60 -12.840 -0.490 2.360 1.00 51.25 H new ATOM 0 HB3 ALA A 60 -13.261 -0.918 0.684 1.00 51.25 H new ATOM 970 N TYR A 61 -14.958 2.411 0.147 1.00 44.21 N ATOM 971 CA TYR A 61 -15.366 3.071 -1.079 1.00 33.24 C ATOM 972 C TYR A 61 -14.420 4.220 -1.388 1.00 35.43 C ATOM 973 O TYR A 61 -14.131 5.046 -0.521 1.00 42.42 O ATOM 974 CB TYR A 61 -16.800 3.588 -0.952 1.00 11.10 C ATOM 975 CG TYR A 61 -17.500 3.772 -2.279 1.00 12.43 C ATOM 976 CD1 TYR A 61 -17.239 4.872 -3.088 1.00 71.01 C ATOM 977 CD2 TYR A 61 -18.422 2.834 -2.727 1.00 33.12 C ATOM 978 CE1 TYR A 61 -17.877 5.031 -4.302 1.00 55.24 C ATOM 979 CE2 TYR A 61 -19.064 2.986 -3.940 1.00 1.03 C ATOM 980 CZ TYR A 61 -18.789 4.085 -4.723 1.00 42.31 C ATOM 981 OH TYR A 61 -19.431 4.241 -5.929 1.00 63.13 O ATOM 0 H TYR A 61 -14.587 3.035 0.863 1.00 44.21 H new ATOM 0 HA TYR A 61 -15.328 2.351 -1.896 1.00 33.24 H new ATOM 0 HB2 TYR A 61 -17.375 2.892 -0.342 1.00 11.10 H new ATOM 0 HB3 TYR A 61 -16.788 4.541 -0.423 1.00 11.10 H new ATOM 0 HD1 TYR A 61 -16.526 5.614 -2.762 1.00 71.01 H new ATOM 0 HD2 TYR A 61 -18.640 1.971 -2.116 1.00 33.12 H new ATOM 0 HE1 TYR A 61 -17.663 5.891 -4.919 1.00 55.24 H new ATOM 0 HE2 TYR A 61 -19.778 2.247 -4.273 1.00 1.03 H new ATOM 0 HH TYR A 61 -20.039 3.487 -6.076 1.00 63.13 H new ATOM 991 N GLY A 62 -13.933 4.258 -2.614 1.00 74.41 N ATOM 992 CA GLY A 62 -13.029 5.306 -3.018 1.00 53.23 C ATOM 993 C GLY A 62 -13.067 5.547 -4.508 1.00 33.52 C ATOM 994 O GLY A 62 -12.423 4.834 -5.275 1.00 43.21 O ATOM 0 H GLY A 62 -14.150 3.576 -3.341 1.00 74.41 H new ATOM 0 HA2 GLY A 62 -13.287 6.227 -2.496 1.00 53.23 H new ATOM 0 HA3 GLY A 62 -12.014 5.043 -2.720 1.00 53.23 H new ATOM 998 N LYS A 63 -13.840 6.536 -4.920 1.00 5.20 N ATOM 999 CA LYS A 63 -13.920 6.917 -6.311 1.00 50.22 C ATOM 1000 C LYS A 63 -12.923 8.028 -6.613 1.00 4.14 C ATOM 1001 O LYS A 63 -12.895 9.054 -5.929 1.00 15.30 O ATOM 1002 CB LYS A 63 -15.345 7.364 -6.638 1.00 34.33 C ATOM 1003 CG LYS A 63 -15.446 8.260 -7.859 1.00 11.11 C ATOM 1004 CD LYS A 63 -16.884 8.451 -8.307 1.00 33.13 C ATOM 1005 CE LYS A 63 -17.782 9.024 -7.215 1.00 25.01 C ATOM 1006 NZ LYS A 63 -18.421 7.950 -6.403 1.00 40.31 N ATOM 0 H LYS A 63 -14.426 7.093 -4.299 1.00 5.20 H new ATOM 0 HA LYS A 63 -13.669 6.059 -6.934 1.00 50.22 H new ATOM 0 HB2 LYS A 63 -15.965 6.481 -6.796 1.00 34.33 H new ATOM 0 HB3 LYS A 63 -15.756 7.892 -5.777 1.00 34.33 H new ATOM 0 HG2 LYS A 63 -15.004 9.231 -7.634 1.00 11.11 H new ATOM 0 HG3 LYS A 63 -14.866 7.828 -8.675 1.00 11.11 H new ATOM 0 HD2 LYS A 63 -16.904 9.116 -9.171 1.00 33.13 H new ATOM 0 HD3 LYS A 63 -17.287 7.492 -8.634 1.00 33.13 H new ATOM 0 HE2 LYS A 63 -17.194 9.671 -6.564 1.00 25.01 H new ATOM 0 HE3 LYS A 63 -18.555 9.645 -7.668 1.00 25.01 H new ATOM 0 HZ1 LYS A 63 -19.452 7.985 -6.532 1.00 40.31 H new ATOM 0 HZ2 LYS A 63 -18.064 7.023 -6.711 1.00 40.31 H new ATOM 0 HZ3 LYS A 63 -18.193 8.092 -5.398 1.00 40.31 H new ATOM 1020 N SER A 64 -12.103 7.819 -7.630 1.00 12.22 N ATOM 1021 CA SER A 64 -11.129 8.813 -8.035 1.00 61.12 C ATOM 1022 C SER A 64 -10.994 8.834 -9.550 1.00 51.13 C ATOM 1023 O SER A 64 -11.416 7.900 -10.233 1.00 71.33 O ATOM 1024 CB SER A 64 -9.772 8.534 -7.383 1.00 42.21 C ATOM 1025 OG SER A 64 -8.839 9.567 -7.671 1.00 32.40 O ATOM 0 H SER A 64 -12.095 6.967 -8.190 1.00 12.22 H new ATOM 0 HA SER A 64 -11.476 9.791 -7.702 1.00 61.12 H new ATOM 0 HB2 SER A 64 -9.896 8.444 -6.304 1.00 42.21 H new ATOM 0 HB3 SER A 64 -9.384 7.580 -7.740 1.00 42.21 H new ATOM 0 HG SER A 64 -9.290 10.436 -7.632 1.00 32.40 H new ATOM 1031 N ARG A 65 -10.412 9.907 -10.065 1.00 12.31 N ATOM 1032 CA ARG A 65 -10.198 10.060 -11.496 1.00 30.54 C ATOM 1033 C ARG A 65 -9.135 9.067 -11.976 1.00 72.41 C ATOM 1034 O ARG A 65 -9.120 8.673 -13.145 1.00 65.25 O ATOM 1035 CB ARG A 65 -9.794 11.515 -11.800 1.00 55.34 C ATOM 1036 CG ARG A 65 -9.800 11.884 -13.277 1.00 75.45 C ATOM 1037 CD ARG A 65 -8.496 11.515 -13.962 1.00 14.12 C ATOM 1038 NE ARG A 65 -8.545 11.770 -15.399 1.00 3.15 N ATOM 1039 CZ ARG A 65 -8.540 10.806 -16.318 1.00 43.44 C ATOM 1040 NH1 ARG A 65 -8.512 9.530 -15.943 1.00 51.20 N ATOM 1041 NH2 ARG A 65 -8.570 11.119 -17.610 1.00 20.41 N ATOM 0 H ARG A 65 -10.077 10.692 -9.506 1.00 12.31 H new ATOM 0 HA ARG A 65 -11.120 9.842 -12.035 1.00 30.54 H new ATOM 0 HB2 ARG A 65 -10.472 12.184 -11.270 1.00 55.34 H new ATOM 0 HB3 ARG A 65 -8.795 11.691 -11.400 1.00 55.34 H new ATOM 0 HG2 ARG A 65 -10.627 11.376 -13.774 1.00 75.45 H new ATOM 0 HG3 ARG A 65 -9.974 12.955 -13.382 1.00 75.45 H new ATOM 0 HD2 ARG A 65 -7.679 12.086 -13.520 1.00 14.12 H new ATOM 0 HD3 ARG A 65 -8.280 10.461 -13.787 1.00 14.12 H new ATOM 0 HE ARG A 65 -8.585 12.739 -15.716 1.00 3.15 H new ATOM 0 HH11 ARG A 65 -8.494 9.290 -14.952 1.00 51.20 H new ATOM 0 HH12 ARG A 65 -8.508 8.792 -16.647 1.00 51.20 H new ATOM 0 HH21 ARG A 65 -8.597 12.097 -17.897 1.00 20.41 H new ATOM 0 HH22 ARG A 65 -8.566 10.381 -18.314 1.00 20.41 H new ATOM 1055 N LYS A 66 -8.254 8.654 -11.066 1.00 34.22 N ATOM 1056 CA LYS A 66 -7.209 7.695 -11.403 1.00 3.13 C ATOM 1057 C LYS A 66 -7.313 6.443 -10.536 1.00 1.44 C ATOM 1058 O LYS A 66 -7.750 6.506 -9.385 1.00 32.15 O ATOM 1059 CB LYS A 66 -5.827 8.328 -11.245 1.00 74.43 C ATOM 1060 CG LYS A 66 -5.586 9.493 -12.191 1.00 0.22 C ATOM 1061 CD LYS A 66 -4.183 10.054 -12.048 1.00 53.22 C ATOM 1062 CE LYS A 66 -3.129 9.014 -12.387 1.00 0.21 C ATOM 1063 NZ LYS A 66 -3.245 8.530 -13.788 1.00 10.54 N ATOM 0 H LYS A 66 -8.244 8.968 -10.095 1.00 34.22 H new ATOM 0 HA LYS A 66 -7.347 7.404 -12.444 1.00 3.13 H new ATOM 0 HB2 LYS A 66 -5.709 8.673 -10.218 1.00 74.43 H new ATOM 0 HB3 LYS A 66 -5.065 7.567 -11.416 1.00 74.43 H new ATOM 0 HG2 LYS A 66 -5.743 9.165 -13.219 1.00 0.22 H new ATOM 0 HG3 LYS A 66 -6.314 10.279 -11.992 1.00 0.22 H new ATOM 0 HD2 LYS A 66 -4.067 10.918 -12.703 1.00 53.22 H new ATOM 0 HD3 LYS A 66 -4.033 10.406 -11.027 1.00 53.22 H new ATOM 0 HE2 LYS A 66 -2.138 9.441 -12.233 1.00 0.21 H new ATOM 0 HE3 LYS A 66 -3.222 8.169 -11.704 1.00 0.21 H new ATOM 0 HZ1 LYS A 66 -2.404 7.969 -14.032 1.00 10.54 H new ATOM 0 HZ2 LYS A 66 -4.095 7.938 -13.882 1.00 10.54 H new ATOM 0 HZ3 LYS A 66 -3.317 9.344 -14.432 1.00 10.54 H new ATOM 1077 N VAL A 67 -6.891 5.314 -11.096 1.00 71.42 N ATOM 1078 CA VAL A 67 -6.973 4.019 -10.419 1.00 12.03 C ATOM 1079 C VAL A 67 -6.156 4.006 -9.124 1.00 4.21 C ATOM 1080 O VAL A 67 -6.615 3.504 -8.098 1.00 12.02 O ATOM 1081 CB VAL A 67 -6.494 2.880 -11.361 1.00 45.25 C ATOM 1082 CG1 VAL A 67 -5.136 3.197 -11.949 1.00 34.42 C ATOM 1083 CG2 VAL A 67 -6.446 1.538 -10.647 1.00 22.24 C ATOM 0 H VAL A 67 -6.483 5.268 -12.030 1.00 71.42 H new ATOM 0 HA VAL A 67 -8.018 3.852 -10.159 1.00 12.03 H new ATOM 0 HB VAL A 67 -7.223 2.809 -12.168 1.00 45.25 H new ATOM 0 HG11 VAL A 67 -4.824 2.384 -12.604 1.00 34.42 H new ATOM 0 HG12 VAL A 67 -5.195 4.122 -12.522 1.00 34.42 H new ATOM 0 HG13 VAL A 67 -4.410 3.314 -11.145 1.00 34.42 H new ATOM 0 HG21 VAL A 67 -6.106 0.769 -11.341 1.00 22.24 H new ATOM 0 HG22 VAL A 67 -5.756 1.598 -9.805 1.00 22.24 H new ATOM 0 HG23 VAL A 67 -7.441 1.284 -10.283 1.00 22.24 H new ATOM 1093 N ALA A 68 -4.956 4.577 -9.178 1.00 33.43 N ATOM 1094 CA ALA A 68 -4.041 4.577 -8.042 1.00 60.10 C ATOM 1095 C ALA A 68 -4.664 5.225 -6.812 1.00 40.24 C ATOM 1096 O ALA A 68 -4.684 4.632 -5.734 1.00 51.00 O ATOM 1097 CB ALA A 68 -2.750 5.289 -8.411 1.00 52.35 C ATOM 0 H ALA A 68 -4.593 5.050 -10.005 1.00 33.43 H new ATOM 0 HA ALA A 68 -3.824 3.538 -7.793 1.00 60.10 H new ATOM 0 HB1 ALA A 68 -2.074 5.283 -7.556 1.00 52.35 H new ATOM 0 HB2 ALA A 68 -2.279 4.776 -9.250 1.00 52.35 H new ATOM 0 HB3 ALA A 68 -2.970 6.319 -8.693 1.00 52.35 H new ATOM 1103 N ASN A 69 -5.184 6.432 -6.985 1.00 63.32 N ATOM 1104 CA ASN A 69 -5.750 7.180 -5.870 1.00 42.45 C ATOM 1105 C ASN A 69 -6.975 6.467 -5.317 1.00 44.13 C ATOM 1106 O ASN A 69 -7.144 6.350 -4.106 1.00 22.23 O ATOM 1107 CB ASN A 69 -6.138 8.591 -6.310 1.00 4.23 C ATOM 1108 CG ASN A 69 -6.455 9.490 -5.130 1.00 13.44 C ATOM 1109 OD1 ASN A 69 -5.856 9.367 -4.060 1.00 42.03 O ATOM 1110 ND2 ASN A 69 -7.410 10.387 -5.312 1.00 41.42 N ATOM 0 H ASN A 69 -5.226 6.913 -7.883 1.00 63.32 H new ATOM 0 HA ASN A 69 -4.992 7.246 -5.090 1.00 42.45 H new ATOM 0 HB2 ASN A 69 -5.323 9.027 -6.888 1.00 4.23 H new ATOM 0 HB3 ASN A 69 -7.005 8.539 -6.969 1.00 4.23 H new ATOM 0 HD21 ASN A 69 -7.676 11.011 -4.550 1.00 41.42 H new ATOM 0 HD22 ASN A 69 -7.880 10.455 -6.214 1.00 41.42 H new ATOM 1117 N ALA A 70 -7.819 5.989 -6.224 1.00 13.11 N ATOM 1118 CA ALA A 70 -9.040 5.288 -5.853 1.00 42.31 C ATOM 1119 C ALA A 70 -8.742 4.060 -4.997 1.00 52.31 C ATOM 1120 O ALA A 70 -9.372 3.849 -3.957 1.00 63.25 O ATOM 1121 CB ALA A 70 -9.803 4.889 -7.103 1.00 63.34 C ATOM 0 H ALA A 70 -7.677 6.076 -7.230 1.00 13.11 H new ATOM 0 HA ALA A 70 -9.653 5.964 -5.256 1.00 42.31 H new ATOM 0 HB1 ALA A 70 -10.716 4.365 -6.820 1.00 63.34 H new ATOM 0 HB2 ALA A 70 -10.059 5.782 -7.673 1.00 63.34 H new ATOM 0 HB3 ALA A 70 -9.183 4.233 -7.714 1.00 63.34 H new ATOM 1127 N LYS A 71 -7.781 3.253 -5.442 1.00 63.43 N ATOM 1128 CA LYS A 71 -7.338 2.096 -4.677 1.00 54.41 C ATOM 1129 C LYS A 71 -6.876 2.521 -3.302 1.00 24.54 C ATOM 1130 O LYS A 71 -7.246 1.921 -2.293 1.00 10.01 O ATOM 1131 CB LYS A 71 -6.184 1.388 -5.382 1.00 53.44 C ATOM 1132 CG LYS A 71 -6.583 0.715 -6.666 1.00 12.43 C ATOM 1133 CD LYS A 71 -5.405 0.022 -7.334 1.00 3.30 C ATOM 1134 CE LYS A 71 -4.307 1.009 -7.701 1.00 31.00 C ATOM 1135 NZ LYS A 71 -3.194 0.356 -8.438 1.00 54.21 N ATOM 0 H LYS A 71 -7.296 3.382 -6.330 1.00 63.43 H new ATOM 0 HA LYS A 71 -8.183 1.413 -4.590 1.00 54.41 H new ATOM 0 HB2 LYS A 71 -5.398 2.113 -5.591 1.00 53.44 H new ATOM 0 HB3 LYS A 71 -5.760 0.644 -4.708 1.00 53.44 H new ATOM 0 HG2 LYS A 71 -7.367 -0.015 -6.465 1.00 12.43 H new ATOM 0 HG3 LYS A 71 -7.003 1.454 -7.348 1.00 12.43 H new ATOM 0 HD2 LYS A 71 -5.002 -0.738 -6.665 1.00 3.30 H new ATOM 0 HD3 LYS A 71 -5.747 -0.493 -8.232 1.00 3.30 H new ATOM 0 HE2 LYS A 71 -4.727 1.808 -8.312 1.00 31.00 H new ATOM 0 HE3 LYS A 71 -3.918 1.473 -6.794 1.00 31.00 H new ATOM 0 HZ1 LYS A 71 -2.468 1.064 -8.669 1.00 54.21 H new ATOM 0 HZ2 LYS A 71 -2.775 -0.389 -7.846 1.00 54.21 H new ATOM 0 HZ3 LYS A 71 -3.559 -0.064 -9.316 1.00 54.21 H new ATOM 1149 N TYR A 72 -6.070 3.568 -3.282 1.00 32.13 N ATOM 1150 CA TYR A 72 -5.471 4.056 -2.060 1.00 2.52 C ATOM 1151 C TYR A 72 -6.533 4.331 -0.996 1.00 33.14 C ATOM 1152 O TYR A 72 -6.411 3.891 0.151 1.00 73.12 O ATOM 1153 CB TYR A 72 -4.670 5.325 -2.360 1.00 41.00 C ATOM 1154 CG TYR A 72 -4.290 6.125 -1.140 1.00 53.14 C ATOM 1155 CD1 TYR A 72 -3.220 5.748 -0.339 1.00 55.15 C ATOM 1156 CD2 TYR A 72 -5.005 7.265 -0.792 1.00 53.40 C ATOM 1157 CE1 TYR A 72 -2.875 6.482 0.778 1.00 4.51 C ATOM 1158 CE2 TYR A 72 -4.665 8.004 0.323 1.00 33.50 C ATOM 1159 CZ TYR A 72 -3.599 7.609 1.104 1.00 20.21 C ATOM 1160 OH TYR A 72 -3.254 8.345 2.213 1.00 24.23 O ATOM 0 H TYR A 72 -5.815 4.101 -4.113 1.00 32.13 H new ATOM 0 HA TYR A 72 -4.803 3.290 -1.666 1.00 2.52 H new ATOM 0 HB2 TYR A 72 -3.762 5.049 -2.896 1.00 41.00 H new ATOM 0 HB3 TYR A 72 -5.253 5.959 -3.028 1.00 41.00 H new ATOM 0 HD1 TYR A 72 -2.649 4.867 -0.594 1.00 55.15 H new ATOM 0 HD2 TYR A 72 -5.839 7.577 -1.403 1.00 53.40 H new ATOM 0 HE1 TYR A 72 -2.042 6.175 1.393 1.00 4.51 H new ATOM 0 HE2 TYR A 72 -5.231 8.887 0.583 1.00 33.50 H new ATOM 0 HH TYR A 72 -3.863 9.108 2.302 1.00 24.23 H new ATOM 1170 N ILE A 73 -7.574 5.046 -1.402 1.00 62.21 N ATOM 1171 CA ILE A 73 -8.656 5.436 -0.506 1.00 21.04 C ATOM 1172 C ILE A 73 -9.325 4.224 0.129 1.00 62.23 C ATOM 1173 O ILE A 73 -9.381 4.110 1.354 1.00 15.03 O ATOM 1174 CB ILE A 73 -9.717 6.253 -1.263 1.00 2.12 C ATOM 1175 CG1 ILE A 73 -9.071 7.495 -1.873 1.00 71.44 C ATOM 1176 CG2 ILE A 73 -10.863 6.642 -0.338 1.00 2.21 C ATOM 1177 CD1 ILE A 73 -9.874 8.094 -2.998 1.00 3.25 C ATOM 0 H ILE A 73 -7.693 5.372 -2.361 1.00 62.21 H new ATOM 0 HA ILE A 73 -8.214 6.045 0.283 1.00 21.04 H new ATOM 0 HB ILE A 73 -10.129 5.638 -2.063 1.00 2.12 H new ATOM 0 HG12 ILE A 73 -8.935 8.245 -1.094 1.00 71.44 H new ATOM 0 HG13 ILE A 73 -8.079 7.236 -2.242 1.00 71.44 H new ATOM 0 HG21 ILE A 73 -11.601 7.219 -0.896 1.00 2.21 H new ATOM 0 HG22 ILE A 73 -11.331 5.742 0.059 1.00 2.21 H new ATOM 0 HG23 ILE A 73 -10.478 7.244 0.485 1.00 2.21 H new ATOM 0 HD11 ILE A 73 -9.358 8.973 -3.386 1.00 3.25 H new ATOM 0 HD12 ILE A 73 -9.988 7.359 -3.795 1.00 3.25 H new ATOM 0 HD13 ILE A 73 -10.858 8.384 -2.629 1.00 3.25 H new ATOM 1189 N MET A 74 -9.826 3.317 -0.703 1.00 24.32 N ATOM 1190 CA MET A 74 -10.551 2.159 -0.198 1.00 45.34 C ATOM 1191 C MET A 74 -9.636 1.256 0.632 1.00 44.31 C ATOM 1192 O MET A 74 -10.060 0.713 1.654 1.00 23.31 O ATOM 1193 CB MET A 74 -11.193 1.361 -1.336 1.00 70.43 C ATOM 1194 CG MET A 74 -10.198 0.728 -2.284 1.00 74.04 C ATOM 1195 SD MET A 74 -10.918 -0.611 -3.239 1.00 44.44 S ATOM 1196 CE MET A 74 -9.538 -1.741 -3.233 1.00 32.41 C ATOM 0 H MET A 74 -9.744 3.361 -1.719 1.00 24.32 H new ATOM 0 HA MET A 74 -11.347 2.531 0.447 1.00 45.34 H new ATOM 0 HB2 MET A 74 -11.820 0.578 -0.908 1.00 70.43 H new ATOM 0 HB3 MET A 74 -11.850 2.021 -1.903 1.00 70.43 H new ATOM 0 HG2 MET A 74 -9.813 1.489 -2.963 1.00 74.04 H new ATOM 0 HG3 MET A 74 -9.349 0.349 -1.715 1.00 74.04 H new ATOM 0 HE1 MET A 74 -9.733 -2.558 -3.928 1.00 32.41 H new ATOM 0 HE2 MET A 74 -8.634 -1.213 -3.538 1.00 32.41 H new ATOM 0 HE3 MET A 74 -9.402 -2.144 -2.229 1.00 32.41 H new ATOM 1206 N LYS A 75 -8.383 1.108 0.196 1.00 41.54 N ATOM 1207 CA LYS A 75 -7.404 0.315 0.934 1.00 73.35 C ATOM 1208 C LYS A 75 -7.310 0.798 2.379 1.00 13.12 C ATOM 1209 O LYS A 75 -7.431 0.011 3.315 1.00 31.24 O ATOM 1210 CB LYS A 75 -6.014 0.403 0.279 1.00 23.44 C ATOM 1211 CG LYS A 75 -5.614 -0.804 -0.569 1.00 12.42 C ATOM 1212 CD LYS A 75 -6.435 -0.923 -1.844 1.00 50.20 C ATOM 1213 CE LYS A 75 -5.789 -1.881 -2.841 1.00 13.31 C ATOM 1214 NZ LYS A 75 -5.811 -3.296 -2.379 1.00 43.02 N ATOM 0 H LYS A 75 -8.025 1.527 -0.663 1.00 41.54 H new ATOM 0 HA LYS A 75 -7.737 -0.723 0.916 1.00 73.35 H new ATOM 0 HB2 LYS A 75 -5.982 1.294 -0.348 1.00 23.44 H new ATOM 0 HB3 LYS A 75 -5.269 0.538 1.063 1.00 23.44 H new ATOM 0 HG2 LYS A 75 -4.558 -0.727 -0.828 1.00 12.42 H new ATOM 0 HG3 LYS A 75 -5.733 -1.713 0.021 1.00 12.42 H new ATOM 0 HD2 LYS A 75 -7.438 -1.273 -1.600 1.00 50.20 H new ATOM 0 HD3 LYS A 75 -6.543 0.061 -2.301 1.00 50.20 H new ATOM 0 HE2 LYS A 75 -6.308 -1.808 -3.797 1.00 13.31 H new ATOM 0 HE3 LYS A 75 -4.757 -1.576 -3.014 1.00 13.31 H new ATOM 0 HZ1 LYS A 75 -5.068 -3.833 -2.870 1.00 43.02 H new ATOM 0 HZ2 LYS A 75 -5.642 -3.329 -1.353 1.00 43.02 H new ATOM 0 HZ3 LYS A 75 -6.739 -3.716 -2.590 1.00 43.02 H new ATOM 1228 N GLN A 76 -7.124 2.105 2.541 1.00 2.11 N ATOM 1229 CA GLN A 76 -6.979 2.718 3.861 1.00 75.31 C ATOM 1230 C GLN A 76 -8.231 2.533 4.716 1.00 4.14 C ATOM 1231 O GLN A 76 -8.158 2.550 5.945 1.00 64.41 O ATOM 1232 CB GLN A 76 -6.659 4.211 3.714 1.00 42.11 C ATOM 1233 CG GLN A 76 -5.285 4.491 3.120 1.00 1.45 C ATOM 1234 CD GLN A 76 -4.157 3.874 3.924 1.00 4.21 C ATOM 1235 OE1 GLN A 76 -3.619 4.492 4.843 1.00 13.32 O ATOM 1236 NE2 GLN A 76 -3.786 2.652 3.579 1.00 42.43 N ATOM 0 H GLN A 76 -7.070 2.767 1.767 1.00 2.11 H new ATOM 0 HA GLN A 76 -6.156 2.216 4.369 1.00 75.31 H new ATOM 0 HB2 GLN A 76 -7.418 4.675 3.084 1.00 42.11 H new ATOM 0 HB3 GLN A 76 -6.724 4.685 4.693 1.00 42.11 H new ATOM 0 HG2 GLN A 76 -5.250 4.106 2.101 1.00 1.45 H new ATOM 0 HG3 GLN A 76 -5.134 5.569 3.059 1.00 1.45 H new ATOM 0 HE21 GLN A 76 -4.257 2.174 2.811 1.00 42.43 H new ATOM 0 HE22 GLN A 76 -3.029 2.188 4.081 1.00 42.43 H new ATOM 1245 N ARG A 77 -9.371 2.342 4.065 1.00 21.15 N ATOM 1246 CA ARG A 77 -10.637 2.184 4.769 1.00 75.41 C ATOM 1247 C ARG A 77 -10.649 0.917 5.611 1.00 31.11 C ATOM 1248 O ARG A 77 -10.736 0.986 6.838 1.00 0.44 O ATOM 1249 CB ARG A 77 -11.803 2.178 3.784 1.00 74.35 C ATOM 1250 CG ARG A 77 -11.983 3.494 3.041 1.00 71.12 C ATOM 1251 CD ARG A 77 -12.515 4.602 3.946 1.00 43.41 C ATOM 1252 NE ARG A 77 -11.583 4.964 5.011 1.00 53.41 N ATOM 1253 CZ ARG A 77 -11.872 4.898 6.310 1.00 61.33 C ATOM 1254 NH1 ARG A 77 -13.053 4.433 6.719 1.00 72.43 N ATOM 1255 NH2 ARG A 77 -10.969 5.278 7.200 1.00 64.11 N ATOM 0 H ARG A 77 -9.445 2.293 3.049 1.00 21.15 H new ATOM 0 HA ARG A 77 -10.750 3.035 5.441 1.00 75.41 H new ATOM 0 HB2 ARG A 77 -11.650 1.379 3.058 1.00 74.35 H new ATOM 0 HB3 ARG A 77 -12.722 1.947 4.323 1.00 74.35 H new ATOM 0 HG2 ARG A 77 -11.028 3.802 2.616 1.00 71.12 H new ATOM 0 HG3 ARG A 77 -12.670 3.347 2.208 1.00 71.12 H new ATOM 0 HD2 ARG A 77 -12.730 5.484 3.343 1.00 43.41 H new ATOM 0 HD3 ARG A 77 -13.458 4.281 4.389 1.00 43.41 H new ATOM 0 HE ARG A 77 -10.653 5.287 4.744 1.00 53.41 H new ATOM 0 HH11 ARG A 77 -13.744 4.124 6.035 1.00 72.43 H new ATOM 0 HH12 ARG A 77 -13.265 4.386 7.716 1.00 72.43 H new ATOM 0 HH21 ARG A 77 -10.059 5.619 6.890 1.00 64.11 H new ATOM 0 HH22 ARG A 77 -11.183 5.230 8.196 1.00 64.11 H new ATOM 1269 N LEU A 78 -10.557 -0.243 4.966 1.00 64.20 N ATOM 1270 CA LEU A 78 -10.532 -1.502 5.711 1.00 44.32 C ATOM 1271 C LEU A 78 -9.272 -1.589 6.558 1.00 75.21 C ATOM 1272 O LEU A 78 -9.274 -2.203 7.625 1.00 73.33 O ATOM 1273 CB LEU A 78 -10.590 -2.718 4.792 1.00 54.12 C ATOM 1274 CG LEU A 78 -11.270 -2.506 3.448 1.00 15.54 C ATOM 1275 CD1 LEU A 78 -10.242 -2.219 2.369 1.00 31.12 C ATOM 1276 CD2 LEU A 78 -12.092 -3.718 3.084 1.00 65.21 C ATOM 0 H LEU A 78 -10.500 -0.340 3.952 1.00 64.20 H new ATOM 0 HA LEU A 78 -11.418 -1.509 6.346 1.00 44.32 H new ATOM 0 HB2 LEU A 78 -9.571 -3.061 4.611 1.00 54.12 H new ATOM 0 HB3 LEU A 78 -11.108 -3.521 5.317 1.00 54.12 H new ATOM 0 HG LEU A 78 -11.933 -1.644 3.526 1.00 15.54 H new ATOM 0 HD11 LEU A 78 -10.748 -2.070 1.415 1.00 31.12 H new ATOM 0 HD12 LEU A 78 -9.684 -1.319 2.628 1.00 31.12 H new ATOM 0 HD13 LEU A 78 -9.555 -3.061 2.288 1.00 31.12 H new ATOM 0 HD21 LEU A 78 -12.574 -3.555 2.120 1.00 65.21 H new ATOM 0 HD22 LEU A 78 -11.444 -4.592 3.022 1.00 65.21 H new ATOM 0 HD23 LEU A 78 -12.853 -3.884 3.847 1.00 65.21 H new ATOM 1288 N LEU A 79 -8.203 -0.968 6.067 1.00 73.12 N ATOM 1289 CA LEU A 79 -6.930 -0.922 6.775 1.00 55.41 C ATOM 1290 C LEU A 79 -7.142 -0.397 8.188 1.00 44.13 C ATOM 1291 O LEU A 79 -6.673 -0.987 9.157 1.00 53.34 O ATOM 1292 CB LEU A 79 -5.938 -0.043 5.988 1.00 35.34 C ATOM 1293 CG LEU A 79 -4.503 0.064 6.536 1.00 12.01 C ATOM 1294 CD1 LEU A 79 -4.415 1.102 7.645 1.00 40.53 C ATOM 1295 CD2 LEU A 79 -4.011 -1.291 7.029 1.00 42.43 C ATOM 0 H LEU A 79 -8.196 -0.484 5.169 1.00 73.12 H new ATOM 0 HA LEU A 79 -6.511 -1.925 6.852 1.00 55.41 H new ATOM 0 HB2 LEU A 79 -5.883 -0.426 4.969 1.00 35.34 H new ATOM 0 HB3 LEU A 79 -6.352 0.963 5.928 1.00 35.34 H new ATOM 0 HG LEU A 79 -3.857 0.388 5.720 1.00 12.01 H new ATOM 0 HD11 LEU A 79 -3.390 1.156 8.013 1.00 40.53 H new ATOM 0 HD12 LEU A 79 -4.713 2.076 7.256 1.00 40.53 H new ATOM 0 HD13 LEU A 79 -5.079 0.819 8.462 1.00 40.53 H new ATOM 0 HD21 LEU A 79 -2.995 -1.192 7.412 1.00 42.43 H new ATOM 0 HD22 LEU A 79 -4.665 -1.648 7.824 1.00 42.43 H new ATOM 0 HD23 LEU A 79 -4.020 -2.003 6.204 1.00 42.43 H new ATOM 1307 N LYS A 80 -7.885 0.690 8.299 1.00 53.31 N ATOM 1308 CA LYS A 80 -8.177 1.276 9.597 1.00 63.21 C ATOM 1309 C LYS A 80 -9.053 0.355 10.427 1.00 60.24 C ATOM 1310 O LYS A 80 -8.923 0.292 11.645 1.00 51.13 O ATOM 1311 CB LYS A 80 -8.861 2.632 9.443 1.00 0.51 C ATOM 1312 CG LYS A 80 -7.916 3.805 9.597 1.00 53.43 C ATOM 1313 CD LYS A 80 -7.236 3.802 10.958 1.00 14.44 C ATOM 1314 CE LYS A 80 -8.245 3.858 12.098 1.00 34.34 C ATOM 1315 NZ LYS A 80 -7.579 4.028 13.417 1.00 42.43 N ATOM 0 H LYS A 80 -8.297 1.185 7.508 1.00 53.31 H new ATOM 0 HA LYS A 80 -7.227 1.416 10.112 1.00 63.21 H new ATOM 0 HB2 LYS A 80 -9.334 2.683 8.462 1.00 0.51 H new ATOM 0 HB3 LYS A 80 -9.656 2.716 10.184 1.00 0.51 H new ATOM 0 HG2 LYS A 80 -7.160 3.770 8.812 1.00 53.43 H new ATOM 0 HG3 LYS A 80 -8.467 4.736 9.467 1.00 53.43 H new ATOM 0 HD2 LYS A 80 -6.626 2.904 11.057 1.00 14.44 H new ATOM 0 HD3 LYS A 80 -6.561 4.655 11.028 1.00 14.44 H new ATOM 0 HE2 LYS A 80 -8.937 4.684 11.931 1.00 34.34 H new ATOM 0 HE3 LYS A 80 -8.837 2.943 12.105 1.00 34.34 H new ATOM 0 HZ1 LYS A 80 -8.185 3.635 14.165 1.00 42.43 H new ATOM 0 HZ2 LYS A 80 -6.667 3.528 13.412 1.00 42.43 H new ATOM 0 HZ3 LYS A 80 -7.418 5.040 13.597 1.00 42.43 H new ATOM 1329 N LEU A 81 -9.932 -0.368 9.757 1.00 53.33 N ATOM 1330 CA LEU A 81 -10.864 -1.251 10.429 1.00 20.35 C ATOM 1331 C LEU A 81 -10.144 -2.416 11.091 1.00 52.41 C ATOM 1332 O LEU A 81 -10.466 -2.778 12.213 1.00 61.21 O ATOM 1333 CB LEU A 81 -11.924 -1.743 9.442 1.00 43.42 C ATOM 1334 CG LEU A 81 -13.203 -0.903 9.397 1.00 21.13 C ATOM 1335 CD1 LEU A 81 -12.900 0.579 9.334 1.00 35.31 C ATOM 1336 CD2 LEU A 81 -14.061 -1.297 8.213 1.00 2.34 C ATOM 0 H LEU A 81 -10.019 -0.359 8.741 1.00 53.33 H new ATOM 0 HA LEU A 81 -11.361 -0.690 11.220 1.00 20.35 H new ATOM 0 HB2 LEU A 81 -11.487 -1.766 8.444 1.00 43.42 H new ATOM 0 HB3 LEU A 81 -12.189 -2.769 9.698 1.00 43.42 H new ATOM 0 HG LEU A 81 -13.748 -1.101 10.320 1.00 21.13 H new ATOM 0 HD11 LEU A 81 -13.834 1.140 9.303 1.00 35.31 H new ATOM 0 HD12 LEU A 81 -12.330 0.872 10.216 1.00 35.31 H new ATOM 0 HD13 LEU A 81 -12.318 0.794 8.438 1.00 35.31 H new ATOM 0 HD21 LEU A 81 -14.965 -0.688 8.200 1.00 2.34 H new ATOM 0 HD22 LEU A 81 -13.503 -1.138 7.290 1.00 2.34 H new ATOM 0 HD23 LEU A 81 -14.334 -2.349 8.295 1.00 2.34 H new ATOM 1348 N LEU A 82 -9.156 -2.985 10.415 1.00 13.02 N ATOM 1349 CA LEU A 82 -8.411 -4.107 10.977 1.00 54.20 C ATOM 1350 C LEU A 82 -7.327 -3.630 11.947 1.00 40.54 C ATOM 1351 O LEU A 82 -6.846 -4.395 12.781 1.00 11.12 O ATOM 1352 CB LEU A 82 -7.820 -4.974 9.863 1.00 13.54 C ATOM 1353 CG LEU A 82 -7.046 -4.228 8.778 1.00 55.32 C ATOM 1354 CD1 LEU A 82 -5.546 -4.352 8.988 1.00 63.02 C ATOM 1355 CD2 LEU A 82 -7.434 -4.755 7.411 1.00 21.11 C ATOM 0 H LEU A 82 -8.852 -2.693 9.486 1.00 13.02 H new ATOM 0 HA LEU A 82 -9.107 -4.720 11.549 1.00 54.20 H new ATOM 0 HB2 LEU A 82 -7.156 -5.710 10.315 1.00 13.54 H new ATOM 0 HB3 LEU A 82 -8.632 -5.526 9.389 1.00 13.54 H new ATOM 0 HG LEU A 82 -7.304 -3.171 8.840 1.00 55.32 H new ATOM 0 HD11 LEU A 82 -5.022 -3.811 8.200 1.00 63.02 H new ATOM 0 HD12 LEU A 82 -5.278 -3.931 9.957 1.00 63.02 H new ATOM 0 HD13 LEU A 82 -5.260 -5.403 8.958 1.00 63.02 H new ATOM 0 HD21 LEU A 82 -6.878 -4.218 6.643 1.00 21.11 H new ATOM 0 HD22 LEU A 82 -7.201 -5.818 7.351 1.00 21.11 H new ATOM 0 HD23 LEU A 82 -8.503 -4.608 7.254 1.00 21.11 H new ATOM 1367 N GLU A 83 -6.948 -2.362 11.842 1.00 44.22 N ATOM 1368 CA GLU A 83 -5.997 -1.772 12.778 1.00 33.04 C ATOM 1369 C GLU A 83 -6.689 -1.371 14.077 1.00 62.14 C ATOM 1370 O GLU A 83 -6.217 -1.678 15.170 1.00 54.44 O ATOM 1371 CB GLU A 83 -5.327 -0.543 12.157 1.00 63.31 C ATOM 1372 CG GLU A 83 -4.287 -0.868 11.098 1.00 4.20 C ATOM 1373 CD GLU A 83 -3.036 -1.489 11.680 1.00 21.51 C ATOM 1374 OE1 GLU A 83 -2.994 -2.724 11.835 1.00 15.24 O ATOM 1375 OE2 GLU A 83 -2.083 -0.739 11.987 1.00 14.15 O ATOM 0 H GLU A 83 -7.283 -1.724 11.121 1.00 44.22 H new ATOM 0 HA GLU A 83 -5.239 -2.523 13.000 1.00 33.04 H new ATOM 0 HB2 GLU A 83 -6.095 0.090 11.713 1.00 63.31 H new ATOM 0 HB3 GLU A 83 -4.854 0.038 12.949 1.00 63.31 H new ATOM 0 HG2 GLU A 83 -4.720 -1.550 10.367 1.00 4.20 H new ATOM 0 HG3 GLU A 83 -4.020 0.044 10.564 1.00 4.20 H new ATOM 1382 N ASP A 84 -7.819 -0.691 13.940 1.00 72.30 N ATOM 1383 CA ASP A 84 -8.549 -0.150 15.082 1.00 41.23 C ATOM 1384 C ASP A 84 -9.507 -1.195 15.634 1.00 45.53 C ATOM 1385 O ASP A 84 -10.024 -1.061 16.742 1.00 15.34 O ATOM 1386 CB ASP A 84 -9.335 1.090 14.649 1.00 62.43 C ATOM 1387 CG ASP A 84 -9.509 2.103 15.760 1.00 53.01 C ATOM 1388 OD1 ASP A 84 -10.397 1.918 16.618 1.00 71.11 O ATOM 1389 OD2 ASP A 84 -8.765 3.106 15.770 1.00 12.01 O ATOM 0 H ASP A 84 -8.256 -0.498 13.038 1.00 72.30 H new ATOM 0 HA ASP A 84 -7.837 0.124 15.860 1.00 41.23 H new ATOM 0 HB2 ASP A 84 -8.822 1.563 13.812 1.00 62.43 H new ATOM 0 HB3 ASP A 84 -10.317 0.783 14.289 1.00 62.43 H new ATOM 1394 N LYS A 85 -9.720 -2.238 14.841 1.00 72.45 N ATOM 1395 CA LYS A 85 -10.642 -3.316 15.176 1.00 60.31 C ATOM 1396 C LYS A 85 -12.075 -2.799 15.233 1.00 53.44 C ATOM 1397 O LYS A 85 -12.784 -2.959 16.229 1.00 32.43 O ATOM 1398 CB LYS A 85 -10.232 -4.000 16.483 1.00 25.41 C ATOM 1399 CG LYS A 85 -8.844 -4.624 16.414 1.00 40.51 C ATOM 1400 CD LYS A 85 -8.767 -5.711 15.345 1.00 13.21 C ATOM 1401 CE LYS A 85 -9.694 -6.886 15.644 1.00 14.00 C ATOM 1402 NZ LYS A 85 -9.251 -7.665 16.829 1.00 15.51 N ATOM 0 H LYS A 85 -9.255 -2.360 13.942 1.00 72.45 H new ATOM 0 HA LYS A 85 -10.595 -4.068 14.389 1.00 60.31 H new ATOM 0 HB2 LYS A 85 -10.257 -3.271 17.293 1.00 25.41 H new ATOM 0 HB3 LYS A 85 -10.961 -4.773 16.727 1.00 25.41 H new ATOM 0 HG2 LYS A 85 -8.107 -3.850 16.200 1.00 40.51 H new ATOM 0 HG3 LYS A 85 -8.587 -5.049 17.384 1.00 40.51 H new ATOM 0 HD2 LYS A 85 -9.027 -5.284 14.377 1.00 13.21 H new ATOM 0 HD3 LYS A 85 -7.741 -6.071 15.270 1.00 13.21 H new ATOM 0 HE2 LYS A 85 -10.705 -6.515 15.813 1.00 14.00 H new ATOM 0 HE3 LYS A 85 -9.737 -7.543 14.775 1.00 14.00 H new ATOM 0 HZ1 LYS A 85 -9.871 -8.491 16.953 1.00 15.51 H new ATOM 0 HZ2 LYS A 85 -8.272 -7.985 16.688 1.00 15.51 H new ATOM 0 HZ3 LYS A 85 -9.300 -7.065 17.677 1.00 15.51 H new ATOM 1416 N SER A 86 -12.482 -2.167 14.142 1.00 55.34 N ATOM 1417 CA SER A 86 -13.839 -1.676 13.990 1.00 73.24 C ATOM 1418 C SER A 86 -14.726 -2.778 13.410 1.00 1.32 C ATOM 1419 O SER A 86 -14.342 -3.453 12.453 1.00 5.31 O ATOM 1420 CB SER A 86 -13.839 -0.457 13.071 1.00 50.52 C ATOM 1421 OG SER A 86 -12.833 0.470 13.450 1.00 62.14 O ATOM 0 H SER A 86 -11.880 -1.982 13.340 1.00 55.34 H new ATOM 0 HA SER A 86 -14.233 -1.386 14.964 1.00 73.24 H new ATOM 0 HB2 SER A 86 -13.676 -0.774 12.041 1.00 50.52 H new ATOM 0 HB3 SER A 86 -14.815 0.027 13.104 1.00 50.52 H new ATOM 0 HG SER A 86 -12.853 1.240 12.845 1.00 62.14 H new ATOM 1427 N ASN A 87 -15.922 -2.935 13.965 1.00 73.14 N ATOM 1428 CA ASN A 87 -16.801 -4.050 13.603 1.00 20.44 C ATOM 1429 C ASN A 87 -17.386 -3.892 12.204 1.00 51.34 C ATOM 1430 O ASN A 87 -18.105 -4.766 11.730 1.00 44.21 O ATOM 1431 CB ASN A 87 -17.944 -4.193 14.612 1.00 24.03 C ATOM 1432 CG ASN A 87 -18.962 -3.068 14.527 1.00 5.32 C ATOM 1433 OD1 ASN A 87 -18.803 -2.020 15.149 1.00 61.12 O ATOM 1434 ND2 ASN A 87 -20.025 -3.287 13.768 1.00 10.24 N ATOM 0 H ASN A 87 -16.309 -2.306 14.668 1.00 73.14 H new ATOM 0 HA ASN A 87 -16.184 -4.948 13.617 1.00 20.44 H new ATOM 0 HB2 ASN A 87 -18.449 -5.145 14.446 1.00 24.03 H new ATOM 0 HB3 ASN A 87 -17.529 -4.223 15.619 1.00 24.03 H new ATOM 0 HD21 ASN A 87 -20.748 -2.572 13.684 1.00 10.24 H new ATOM 0 HD22 ASN A 87 -20.121 -4.170 13.267 1.00 10.24 H new ATOM 1441 N LEU A 88 -17.076 -2.786 11.545 1.00 12.31 N ATOM 1442 CA LEU A 88 -17.620 -2.516 10.220 1.00 62.25 C ATOM 1443 C LEU A 88 -17.129 -3.549 9.215 1.00 1.13 C ATOM 1444 O LEU A 88 -17.882 -3.993 8.352 1.00 11.21 O ATOM 1445 CB LEU A 88 -17.269 -1.099 9.751 1.00 63.31 C ATOM 1446 CG LEU A 88 -17.907 0.038 10.559 1.00 11.11 C ATOM 1447 CD1 LEU A 88 -19.373 -0.254 10.838 1.00 32.13 C ATOM 1448 CD2 LEU A 88 -17.153 0.279 11.857 1.00 5.44 C ATOM 0 H LEU A 88 -16.453 -2.062 11.903 1.00 12.31 H new ATOM 0 HA LEU A 88 -18.706 -2.587 10.287 1.00 62.25 H new ATOM 0 HB2 LEU A 88 -16.186 -0.982 9.783 1.00 63.31 H new ATOM 0 HB3 LEU A 88 -17.570 -0.995 8.709 1.00 63.31 H new ATOM 0 HG LEU A 88 -17.846 0.947 9.960 1.00 11.11 H new ATOM 0 HD11 LEU A 88 -19.804 0.566 11.412 1.00 32.13 H new ATOM 0 HD12 LEU A 88 -19.909 -0.358 9.895 1.00 32.13 H new ATOM 0 HD13 LEU A 88 -19.458 -1.180 11.407 1.00 32.13 H new ATOM 0 HD21 LEU A 88 -17.628 1.090 12.408 1.00 5.44 H new ATOM 0 HD22 LEU A 88 -17.169 -0.628 12.461 1.00 5.44 H new ATOM 0 HD23 LEU A 88 -16.121 0.548 11.634 1.00 5.44 H new ATOM 1460 N LEU A 89 -15.868 -3.942 9.328 1.00 61.01 N ATOM 1461 CA LEU A 89 -15.345 -5.001 8.474 1.00 14.25 C ATOM 1462 C LEU A 89 -15.183 -6.303 9.254 1.00 33.33 C ATOM 1463 O LEU A 89 -15.016 -7.370 8.679 1.00 41.00 O ATOM 1464 CB LEU A 89 -14.004 -4.590 7.864 1.00 10.03 C ATOM 1465 CG LEU A 89 -13.304 -5.679 7.064 1.00 42.13 C ATOM 1466 CD1 LEU A 89 -13.930 -5.828 5.689 1.00 64.31 C ATOM 1467 CD2 LEU A 89 -11.816 -5.396 6.982 1.00 31.11 C ATOM 0 H LEU A 89 -15.197 -3.552 9.990 1.00 61.01 H new ATOM 0 HA LEU A 89 -16.063 -5.165 7.671 1.00 14.25 H new ATOM 0 HB2 LEU A 89 -14.165 -3.729 7.215 1.00 10.03 H new ATOM 0 HB3 LEU A 89 -13.341 -4.265 8.666 1.00 10.03 H new ATOM 0 HG LEU A 89 -13.433 -6.631 7.578 1.00 42.13 H new ATOM 0 HD11 LEU A 89 -13.412 -6.612 5.137 1.00 64.31 H new ATOM 0 HD12 LEU A 89 -14.982 -6.093 5.795 1.00 64.31 H new ATOM 0 HD13 LEU A 89 -13.846 -4.886 5.147 1.00 64.31 H new ATOM 0 HD21 LEU A 89 -11.327 -6.183 6.407 1.00 31.11 H new ATOM 0 HD22 LEU A 89 -11.655 -4.435 6.493 1.00 31.11 H new ATOM 0 HD23 LEU A 89 -11.395 -5.366 7.987 1.00 31.11 H new ATOM 1479 N LEU A 90 -15.252 -6.212 10.560 1.00 71.03 N ATOM 1480 CA LEU A 90 -14.909 -7.340 11.419 1.00 12.51 C ATOM 1481 C LEU A 90 -16.097 -7.851 12.238 1.00 64.51 C ATOM 1482 O LEU A 90 -15.907 -8.444 13.299 1.00 53.44 O ATOM 1483 CB LEU A 90 -13.788 -6.902 12.351 1.00 62.23 C ATOM 1484 CG LEU A 90 -12.620 -6.215 11.653 1.00 74.50 C ATOM 1485 CD1 LEU A 90 -11.791 -5.451 12.656 1.00 53.42 C ATOM 1486 CD2 LEU A 90 -11.760 -7.224 10.915 1.00 63.40 C ATOM 0 H LEU A 90 -15.542 -5.372 11.060 1.00 71.03 H new ATOM 0 HA LEU A 90 -14.596 -8.168 10.783 1.00 12.51 H new ATOM 0 HB2 LEU A 90 -14.198 -6.223 13.099 1.00 62.23 H new ATOM 0 HB3 LEU A 90 -13.413 -7.776 12.884 1.00 62.23 H new ATOM 0 HG LEU A 90 -13.022 -5.514 10.921 1.00 74.50 H new ATOM 0 HD11 LEU A 90 -10.960 -4.965 12.146 1.00 53.42 H new ATOM 0 HD12 LEU A 90 -12.411 -4.697 13.141 1.00 53.42 H new ATOM 0 HD13 LEU A 90 -11.403 -6.139 13.407 1.00 53.42 H new ATOM 0 HD21 LEU A 90 -10.934 -6.709 10.425 1.00 63.40 H new ATOM 0 HD22 LEU A 90 -11.365 -7.952 11.623 1.00 63.40 H new ATOM 0 HD23 LEU A 90 -12.363 -7.737 10.165 1.00 63.40 H new ATOM 1498 N TYR A 91 -17.314 -7.637 11.752 1.00 1.14 N ATOM 1499 CA TYR A 91 -18.498 -8.131 12.455 1.00 75.04 C ATOM 1500 C TYR A 91 -18.667 -9.637 12.261 1.00 13.30 C ATOM 1501 O TYR A 91 -18.123 -10.218 11.315 1.00 61.04 O ATOM 1502 CB TYR A 91 -19.766 -7.403 11.989 1.00 13.20 C ATOM 1503 CG TYR A 91 -20.152 -7.660 10.546 1.00 61.54 C ATOM 1504 CD1 TYR A 91 -20.814 -8.829 10.176 1.00 54.12 C ATOM 1505 CD2 TYR A 91 -19.863 -6.730 9.557 1.00 1.12 C ATOM 1506 CE1 TYR A 91 -21.174 -9.058 8.866 1.00 42.44 C ATOM 1507 CE2 TYR A 91 -20.225 -6.952 8.243 1.00 11.41 C ATOM 1508 CZ TYR A 91 -20.880 -8.118 7.904 1.00 54.22 C ATOM 1509 OH TYR A 91 -21.248 -8.346 6.598 1.00 71.40 O ATOM 0 H TYR A 91 -17.509 -7.133 10.887 1.00 1.14 H new ATOM 0 HA TYR A 91 -18.350 -7.929 13.516 1.00 75.04 H new ATOM 0 HB2 TYR A 91 -20.595 -7.700 12.631 1.00 13.20 H new ATOM 0 HB3 TYR A 91 -19.624 -6.331 12.127 1.00 13.20 H new ATOM 0 HD1 TYR A 91 -21.049 -9.567 10.928 1.00 54.12 H new ATOM 0 HD2 TYR A 91 -19.347 -5.818 9.819 1.00 1.12 H new ATOM 0 HE1 TYR A 91 -21.684 -9.970 8.595 1.00 42.44 H new ATOM 0 HE2 TYR A 91 -19.997 -6.217 7.485 1.00 11.41 H new ATOM 0 HH TYR A 91 -21.722 -7.562 6.250 1.00 71.40 H new ATOM 1519 N SER A 92 -19.451 -10.254 13.137 1.00 54.33 N ATOM 1520 CA SER A 92 -19.725 -11.678 13.053 1.00 51.02 C ATOM 1521 C SER A 92 -20.950 -11.928 12.173 1.00 30.21 C ATOM 1522 O SER A 92 -21.889 -11.134 12.148 1.00 10.42 O ATOM 1523 CB SER A 92 -19.941 -12.265 14.453 1.00 11.24 C ATOM 1524 OG SER A 92 -20.098 -13.675 14.408 1.00 41.40 O ATOM 0 H SER A 92 -19.910 -9.784 13.918 1.00 54.33 H new ATOM 0 HA SER A 92 -18.865 -12.173 12.602 1.00 51.02 H new ATOM 0 HB2 SER A 92 -19.093 -12.013 15.089 1.00 11.24 H new ATOM 0 HB3 SER A 92 -20.824 -11.814 14.905 1.00 11.24 H new ATOM 0 HG SER A 92 -20.232 -14.018 15.316 1.00 41.40 H new ATOM 1530 N CYS A 93 -20.925 -13.033 11.454 1.00 12.23 N ATOM 1531 CA CYS A 93 -21.987 -13.384 10.520 1.00 23.45 C ATOM 1532 C CYS A 93 -22.091 -14.894 10.407 1.00 31.33 C ATOM 1533 O CYS A 93 -21.113 -15.597 10.652 1.00 2.14 O ATOM 1534 CB CYS A 93 -21.651 -12.847 9.147 1.00 21.42 C ATOM 1535 SG CYS A 93 -20.310 -13.787 8.365 1.00 31.42 S ATOM 0 H CYS A 93 -20.169 -13.716 11.498 1.00 12.23 H new ATOM 0 HA CYS A 93 -22.924 -12.961 10.882 1.00 23.45 H new ATOM 0 HB2 CYS A 93 -22.538 -12.885 8.515 1.00 21.42 H new ATOM 0 HB3 CYS A 93 -21.362 -11.799 9.227 1.00 21.42 H new ATOM 0 HG CYS A 93 -20.737 -14.310 7.254 1.00 31.42 H new ATOM 1540 N ASN A 94 -23.244 -15.398 10.004 1.00 34.44 N ATOM 1541 CA ASN A 94 -23.376 -16.820 9.754 1.00 71.20 C ATOM 1542 C ASN A 94 -23.118 -17.141 8.283 1.00 70.42 C ATOM 1543 O ASN A 94 -24.053 -17.271 7.499 1.00 61.35 O ATOM 1544 CB ASN A 94 -24.769 -17.327 10.152 1.00 75.30 C ATOM 1545 CG ASN A 94 -24.905 -18.838 10.013 1.00 54.22 C ATOM 1546 OD1 ASN A 94 -25.226 -19.354 8.942 1.00 42.10 O ATOM 1547 ND2 ASN A 94 -24.687 -19.555 11.100 1.00 71.51 N ATOM 0 H ASN A 94 -24.091 -14.852 9.845 1.00 34.44 H new ATOM 0 HA ASN A 94 -22.630 -17.327 10.366 1.00 71.20 H new ATOM 0 HB2 ASN A 94 -24.975 -17.041 11.184 1.00 75.30 H new ATOM 0 HB3 ASN A 94 -25.520 -16.840 9.530 1.00 75.30 H new ATOM 0 HD21 ASN A 94 -24.783 -20.570 11.069 1.00 71.51 H new ATOM 0 HD22 ASN A 94 -24.422 -19.094 11.971 1.00 71.51 H new ATOM 1554 N CYS A 95 -21.851 -17.186 7.880 1.00 41.35 N ATOM 1555 CA CYS A 95 -21.513 -17.822 6.615 1.00 32.21 C ATOM 1556 C CYS A 95 -21.230 -19.297 6.857 1.00 5.11 C ATOM 1557 O CYS A 95 -21.197 -20.101 5.926 1.00 30.31 O ATOM 1558 CB CYS A 95 -20.320 -17.151 5.948 1.00 51.41 C ATOM 1559 SG CYS A 95 -20.753 -15.630 5.051 1.00 21.33 S ATOM 0 H CYS A 95 -21.061 -16.800 8.397 1.00 41.35 H new ATOM 0 HA CYS A 95 -22.360 -17.716 5.937 1.00 32.21 H new ATOM 0 HB2 CYS A 95 -19.574 -16.916 6.707 1.00 51.41 H new ATOM 0 HB3 CYS A 95 -19.859 -17.854 5.254 1.00 51.41 H new ATOM 0 HG CYS A 95 -20.193 -15.644 3.878 1.00 21.33 H new