USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 799 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 111 LYS NZ :NH3+ 171:sc= 0.0814 (180deg=0) USER MOD Set 1.2: A 112 HIS :FLIP no HE2:sc= -9.56! C(o=-11!,f=-9.5!) USER MOD Set 2.1: A 82 MET CE :methyl -146:sc=-0.00285 (180deg=-1.12) USER MOD Set 2.2: A 84 THR OG1 : rot 78:sc= 0.0651! USER MOD Single : A 11 CYS SG : rot 71:sc= -2.98 USER MOD Single : A 12 HIS : no HE2:sc= 0.245 K(o=0.25,f=-3.5!) USER MOD Single : A 13 ASN :FLIP amide:sc= -4.3! C(o=-11!,f=-4.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= -2.76! C(o=-2.8!,f=-2.8!) USER MOD Single : A 21 MET CE :methyl -158:sc= -4.79! (180deg=-7.57!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 157:sc= -0.11 (180deg=-0.74) USER MOD Single : A 77 TYR OH : rot -162:sc= -0.23 USER MOD Single : A 78 ASN :FLIP amide:sc= -0.0381 F(o=-0.64,f=-0.038) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -165:sc=-0.00988 (180deg=-0.136) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -13.2! C(o=-13!,f=-15!) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot -110:sc= -2.37! USER MOD ----------------------------------------------------------------- ATOM 53 N GLU A 5 2.527 7.211 -6.468 1.00 10.14 N ATOM 54 CA GLU A 5 1.374 7.306 -7.356 1.00 21.55 C ATOM 55 C GLU A 5 1.241 8.715 -7.926 1.00 34.41 C ATOM 56 O GLU A 5 2.195 9.491 -7.921 1.00 60.14 O ATOM 57 CB GLU A 5 0.095 6.922 -6.609 1.00 13.41 C ATOM 58 CG GLU A 5 0.295 5.819 -5.584 1.00 63.31 C ATOM 59 CD GLU A 5 0.308 4.437 -6.209 1.00 51.34 C ATOM 60 OE1 GLU A 5 0.731 4.318 -7.378 1.00 4.21 O ATOM 61 OE2 GLU A 5 -0.106 3.475 -5.529 1.00 43.10 O ATOM 0 HA GLU A 5 1.525 6.612 -8.183 1.00 21.55 H new ATOM 0 HB2 GLU A 5 -0.301 7.805 -6.107 1.00 13.41 H new ATOM 0 HB3 GLU A 5 -0.656 6.602 -7.332 1.00 13.41 H new ATOM 0 HG2 GLU A 5 1.235 5.984 -5.057 1.00 63.31 H new ATOM 0 HG3 GLU A 5 -0.501 5.870 -4.841 1.00 63.31 H new ATOM 68 N GLY A 6 0.048 9.037 -8.418 1.00 1.34 N ATOM 69 CA GLY A 6 -0.189 10.352 -8.986 1.00 32.45 C ATOM 70 C GLY A 6 -0.488 11.395 -7.927 1.00 44.15 C ATOM 71 O GLY A 6 -1.206 12.362 -8.184 1.00 24.25 O ATOM 0 H GLY A 6 -0.758 8.412 -8.433 1.00 1.34 H new ATOM 0 HA2 GLY A 6 0.686 10.660 -9.559 1.00 32.45 H new ATOM 0 HA3 GLY A 6 -1.024 10.298 -9.684 1.00 32.45 H new ATOM 75 N VAL A 7 0.063 11.200 -6.734 1.00 23.34 N ATOM 76 CA VAL A 7 -0.148 12.131 -5.632 1.00 51.42 C ATOM 77 C VAL A 7 1.118 12.926 -5.334 1.00 2.20 C ATOM 78 O VAL A 7 2.162 12.704 -5.947 1.00 5.10 O ATOM 79 CB VAL A 7 -0.593 11.397 -4.354 1.00 13.14 C ATOM 80 CG1 VAL A 7 -1.466 10.200 -4.701 1.00 44.41 C ATOM 81 CG2 VAL A 7 0.617 10.967 -3.538 1.00 74.53 C ATOM 0 H VAL A 7 0.660 10.405 -6.505 1.00 23.34 H new ATOM 0 HA VAL A 7 -0.938 12.815 -5.943 1.00 51.42 H new ATOM 0 HB VAL A 7 -1.185 12.084 -3.749 1.00 13.14 H new ATOM 0 HG11 VAL A 7 -1.771 9.694 -3.785 1.00 44.41 H new ATOM 0 HG12 VAL A 7 -2.351 10.539 -5.240 1.00 44.41 H new ATOM 0 HG13 VAL A 7 -0.903 9.508 -5.327 1.00 44.41 H new ATOM 0 HG21 VAL A 7 0.284 10.450 -2.638 1.00 74.53 H new ATOM 0 HG22 VAL A 7 1.238 10.297 -4.133 1.00 74.53 H new ATOM 0 HG23 VAL A 7 1.198 11.846 -3.257 1.00 74.53 H new ATOM 91 N VAL A 8 1.019 13.854 -4.387 1.00 53.03 N ATOM 92 CA VAL A 8 2.157 14.682 -4.006 1.00 33.24 C ATOM 93 C VAL A 8 3.386 13.827 -3.719 1.00 43.31 C ATOM 94 O VAL A 8 3.552 13.312 -2.613 1.00 44.11 O ATOM 95 CB VAL A 8 1.838 15.536 -2.764 1.00 60.11 C ATOM 96 CG1 VAL A 8 0.633 16.427 -3.024 1.00 3.40 C ATOM 97 CG2 VAL A 8 1.602 14.647 -1.552 1.00 64.15 C ATOM 0 H VAL A 8 0.162 14.051 -3.870 1.00 53.03 H new ATOM 0 HA VAL A 8 2.365 15.342 -4.848 1.00 33.24 H new ATOM 0 HB VAL A 8 2.695 16.176 -2.555 1.00 60.11 H new ATOM 0 HG11 VAL A 8 0.423 17.023 -2.136 1.00 3.40 H new ATOM 0 HG12 VAL A 8 0.845 17.089 -3.863 1.00 3.40 H new ATOM 0 HG13 VAL A 8 -0.233 15.808 -3.259 1.00 3.40 H new ATOM 0 HG21 VAL A 8 1.378 15.267 -0.684 1.00 64.15 H new ATOM 0 HG22 VAL A 8 0.762 13.980 -1.748 1.00 64.15 H new ATOM 0 HG23 VAL A 8 2.496 14.056 -1.355 1.00 64.15 H new ATOM 107 N ILE A 9 4.245 13.682 -4.722 1.00 64.52 N ATOM 108 CA ILE A 9 5.461 12.891 -4.577 1.00 61.42 C ATOM 109 C ILE A 9 6.142 13.169 -3.242 1.00 2.14 C ATOM 110 O ILE A 9 5.798 14.124 -2.545 1.00 63.41 O ATOM 111 CB ILE A 9 6.457 13.175 -5.717 1.00 73.54 C ATOM 112 CG1 ILE A 9 5.754 13.080 -7.073 1.00 54.31 C ATOM 113 CG2 ILE A 9 7.627 12.204 -5.653 1.00 13.12 C ATOM 114 CD1 ILE A 9 4.988 11.790 -7.268 1.00 50.33 C ATOM 0 H ILE A 9 4.122 14.102 -5.643 1.00 64.52 H new ATOM 0 HA ILE A 9 5.162 11.844 -4.619 1.00 61.42 H new ATOM 0 HB ILE A 9 6.843 14.187 -5.598 1.00 73.54 H new ATOM 0 HG12 ILE A 9 5.067 13.920 -7.177 1.00 54.31 H new ATOM 0 HG13 ILE A 9 6.496 13.176 -7.865 1.00 54.31 H new ATOM 0 HG21 ILE A 9 8.322 12.418 -6.465 1.00 13.12 H new ATOM 0 HG22 ILE A 9 8.140 12.315 -4.698 1.00 13.12 H new ATOM 0 HG23 ILE A 9 7.258 11.183 -5.750 1.00 13.12 H new ATOM 0 HD11 ILE A 9 4.516 11.792 -8.250 1.00 50.33 H new ATOM 0 HD12 ILE A 9 5.673 10.946 -7.197 1.00 50.33 H new ATOM 0 HD13 ILE A 9 4.222 11.702 -6.497 1.00 50.33 H new ATOM 126 N ALA A 10 7.111 12.330 -2.891 1.00 64.14 N ATOM 127 CA ALA A 10 7.844 12.488 -1.641 1.00 71.22 C ATOM 128 C ALA A 10 9.330 12.205 -1.836 1.00 34.40 C ATOM 129 O ALA A 10 9.831 11.158 -1.424 1.00 31.13 O ATOM 130 CB ALA A 10 7.266 11.573 -0.572 1.00 20.13 C ATOM 0 H ALA A 10 7.407 11.533 -3.455 1.00 64.14 H new ATOM 0 HA ALA A 10 7.738 13.523 -1.314 1.00 71.22 H new ATOM 0 HB1 ALA A 10 7.823 11.701 0.356 1.00 20.13 H new ATOM 0 HB2 ALA A 10 6.219 11.825 -0.405 1.00 20.13 H new ATOM 0 HB3 ALA A 10 7.342 10.536 -0.900 1.00 20.13 H new ATOM 136 N CYS A 11 10.028 13.142 -2.466 1.00 50.34 N ATOM 137 CA CYS A 11 11.457 12.992 -2.717 1.00 41.42 C ATOM 138 C CYS A 11 12.189 12.558 -1.451 1.00 74.34 C ATOM 139 O CYS A 11 11.592 12.462 -0.379 1.00 35.34 O ATOM 140 CB CYS A 11 12.046 14.305 -3.235 1.00 55.54 C ATOM 141 SG CYS A 11 12.895 15.282 -1.973 1.00 44.44 S ATOM 0 H CYS A 11 9.628 14.014 -2.813 1.00 50.34 H new ATOM 0 HA CYS A 11 11.588 12.219 -3.474 1.00 41.42 H new ATOM 0 HB2 CYS A 11 12.747 14.084 -4.040 1.00 55.54 H new ATOM 0 HB3 CYS A 11 11.245 14.905 -3.666 1.00 55.54 H new ATOM 0 HG CYS A 11 14.006 14.694 -1.644 1.00 44.44 H new ATOM 147 N HIS A 12 13.485 12.294 -1.584 1.00 13.30 N ATOM 148 CA HIS A 12 14.298 11.868 -0.451 1.00 1.33 C ATOM 149 C HIS A 12 15.747 11.647 -0.875 1.00 31.24 C ATOM 150 O HIS A 12 16.448 10.810 -0.308 1.00 61.53 O ATOM 151 CB HIS A 12 13.731 10.586 0.158 1.00 73.42 C ATOM 152 CG HIS A 12 14.020 10.437 1.620 1.00 43.12 C ATOM 153 ND1 HIS A 12 15.288 10.224 2.118 1.00 3.51 N ATOM 154 CD2 HIS A 12 13.197 10.473 2.693 1.00 11.35 C ATOM 155 CE1 HIS A 12 15.232 10.135 3.435 1.00 62.41 C ATOM 156 NE2 HIS A 12 13.974 10.283 3.809 1.00 22.43 N ATOM 0 H HIS A 12 13.994 12.368 -2.465 1.00 13.30 H new ATOM 0 HA HIS A 12 14.274 12.658 0.299 1.00 1.33 H new ATOM 0 HB2 HIS A 12 12.652 10.568 0.006 1.00 73.42 H new ATOM 0 HB3 HIS A 12 14.142 9.728 -0.374 1.00 73.42 H new ATOM 0 HD1 HIS A 12 16.137 10.147 1.557 1.00 3.51 H new ATOM 0 HD2 HIS A 12 12.128 10.623 2.675 1.00 11.35 H new ATOM 0 HE1 HIS A 12 16.072 9.969 4.094 1.00 62.41 H new ATOM 164 N ASN A 13 16.188 12.403 -1.875 1.00 20.22 N ATOM 165 CA ASN A 13 17.553 12.288 -2.375 1.00 70.24 C ATOM 166 C ASN A 13 17.776 13.216 -3.566 1.00 32.32 C ATOM 167 O ASN A 13 18.629 12.960 -4.416 1.00 31.31 O ATOM 168 CB ASN A 13 17.850 10.842 -2.779 1.00 4.14 C ATOM 169 CG ASN A 13 17.717 10.619 -4.273 1.00 13.53 C ATOM 170 OD1 ASN A 13 16.728 11.264 -4.881 1.00 34.52 O flip ATOM 171 ND2 ASN A 13 18.494 9.877 -4.873 1.00 11.53 N flip ATOM 0 H ASN A 13 15.620 13.101 -2.355 1.00 20.22 H new ATOM 0 HA ASN A 13 18.233 12.582 -1.575 1.00 70.24 H new ATOM 0 HB2 ASN A 13 18.860 10.580 -2.464 1.00 4.14 H new ATOM 0 HB3 ASN A 13 17.169 10.174 -2.253 1.00 4.14 H new ATOM 0 HD21 ASN A 13 19.240 9.401 -4.365 1.00 11.53 H new ATOM 0 HD22 ASN A 13 18.392 9.738 -5.878 1.00 11.53 H new ATOM 178 N LYS A 14 17.003 14.295 -3.620 1.00 41.22 N ATOM 179 CA LYS A 14 17.116 15.264 -4.704 1.00 72.44 C ATOM 180 C LYS A 14 16.725 14.635 -6.038 1.00 62.02 C ATOM 181 O LYS A 14 15.682 14.959 -6.606 1.00 42.22 O ATOM 182 CB LYS A 14 18.544 15.807 -4.784 1.00 1.44 C ATOM 183 CG LYS A 14 18.936 16.288 -6.170 1.00 52.21 C ATOM 184 CD LYS A 14 19.896 17.464 -6.102 1.00 21.20 C ATOM 185 CE LYS A 14 19.228 18.696 -5.510 1.00 61.52 C ATOM 186 NZ LYS A 14 19.549 19.927 -6.284 1.00 64.52 N ATOM 0 H LYS A 14 16.291 14.521 -2.925 1.00 41.22 H new ATOM 0 HA LYS A 14 16.432 16.087 -4.495 1.00 72.44 H new ATOM 0 HB2 LYS A 14 18.650 16.632 -4.079 1.00 1.44 H new ATOM 0 HB3 LYS A 14 19.238 15.028 -4.469 1.00 1.44 H new ATOM 0 HG2 LYS A 14 19.399 15.470 -6.722 1.00 52.21 H new ATOM 0 HG3 LYS A 14 18.042 16.579 -6.722 1.00 52.21 H new ATOM 0 HD2 LYS A 14 20.762 17.193 -5.498 1.00 21.20 H new ATOM 0 HD3 LYS A 14 20.263 17.693 -7.102 1.00 21.20 H new ATOM 0 HE2 LYS A 14 18.148 18.550 -5.492 1.00 61.52 H new ATOM 0 HE3 LYS A 14 19.550 18.823 -4.476 1.00 61.52 H new ATOM 0 HZ1 LYS A 14 19.075 20.744 -5.849 1.00 64.52 H new ATOM 0 HZ2 LYS A 14 20.578 20.081 -6.281 1.00 64.52 H new ATOM 0 HZ3 LYS A 14 19.219 19.817 -7.264 1.00 64.52 H new ATOM 200 N ASP A 15 17.568 13.734 -6.532 1.00 13.24 N ATOM 201 CA ASP A 15 17.309 13.058 -7.798 1.00 11.05 C ATOM 202 C ASP A 15 15.810 12.888 -8.027 1.00 3.34 C ATOM 203 O ASP A 15 15.329 13.001 -9.153 1.00 52.43 O ATOM 204 CB ASP A 15 17.999 11.693 -7.822 1.00 11.34 C ATOM 205 CG ASP A 15 18.900 11.521 -9.029 1.00 15.11 C ATOM 206 OD1 ASP A 15 19.438 12.537 -9.517 1.00 35.31 O ATOM 207 OD2 ASP A 15 19.066 10.371 -9.486 1.00 73.24 O ATOM 0 H ASP A 15 18.436 13.455 -6.075 1.00 13.24 H new ATOM 0 HA ASP A 15 17.713 13.675 -8.600 1.00 11.05 H new ATOM 0 HB2 ASP A 15 18.587 11.571 -6.913 1.00 11.34 H new ATOM 0 HB3 ASP A 15 17.244 10.907 -7.821 1.00 11.34 H new ATOM 212 N GLU A 16 15.079 12.615 -6.950 1.00 44.42 N ATOM 213 CA GLU A 16 13.636 12.428 -7.035 1.00 52.24 C ATOM 214 C GLU A 16 12.914 13.772 -7.066 1.00 53.20 C ATOM 215 O GLU A 16 11.987 13.974 -7.851 1.00 42.13 O ATOM 216 CB GLU A 16 13.136 11.595 -5.853 1.00 4.52 C ATOM 217 CG GLU A 16 14.117 10.524 -5.406 1.00 12.12 C ATOM 218 CD GLU A 16 13.457 9.172 -5.215 1.00 52.33 C ATOM 219 OE1 GLU A 16 13.147 8.515 -6.231 1.00 44.45 O ATOM 220 OE2 GLU A 16 13.250 8.771 -4.051 1.00 55.40 O ATOM 0 H GLU A 16 15.463 12.519 -6.010 1.00 44.42 H new ATOM 0 HA GLU A 16 13.419 11.897 -7.962 1.00 52.24 H new ATOM 0 HB2 GLU A 16 12.928 12.259 -5.014 1.00 4.52 H new ATOM 0 HB3 GLU A 16 12.193 11.121 -6.126 1.00 4.52 H new ATOM 0 HG2 GLU A 16 14.913 10.434 -6.145 1.00 12.12 H new ATOM 0 HG3 GLU A 16 14.584 10.832 -4.470 1.00 12.12 H new ATOM 227 N PHE A 17 13.345 14.688 -6.205 1.00 55.42 N ATOM 228 CA PHE A 17 12.739 16.013 -6.132 1.00 20.14 C ATOM 229 C PHE A 17 12.673 16.658 -7.513 1.00 11.12 C ATOM 230 O PHE A 17 11.659 17.248 -7.886 1.00 74.44 O ATOM 231 CB PHE A 17 13.532 16.907 -5.176 1.00 51.01 C ATOM 232 CG PHE A 17 14.103 18.131 -5.834 1.00 75.55 C ATOM 233 CD1 PHE A 17 15.316 18.073 -6.500 1.00 63.33 C ATOM 234 CD2 PHE A 17 13.425 19.338 -5.788 1.00 40.21 C ATOM 235 CE1 PHE A 17 15.844 19.197 -7.106 1.00 51.23 C ATOM 236 CE2 PHE A 17 13.948 20.466 -6.393 1.00 15.14 C ATOM 237 CZ PHE A 17 15.158 20.395 -7.053 1.00 41.05 C ATOM 0 H PHE A 17 14.111 14.538 -5.548 1.00 55.42 H new ATOM 0 HA PHE A 17 11.723 15.900 -5.755 1.00 20.14 H new ATOM 0 HB2 PHE A 17 12.883 17.214 -4.356 1.00 51.01 H new ATOM 0 HB3 PHE A 17 14.345 16.327 -4.739 1.00 51.01 H new ATOM 0 HD1 PHE A 17 15.855 17.138 -6.546 1.00 63.33 H new ATOM 0 HD2 PHE A 17 12.477 19.399 -5.274 1.00 40.21 H new ATOM 0 HE1 PHE A 17 16.792 19.139 -7.620 1.00 51.23 H new ATOM 0 HE2 PHE A 17 13.410 21.402 -6.349 1.00 15.14 H new ATOM 0 HZ PHE A 17 15.568 21.274 -7.527 1.00 41.05 H new ATOM 247 N ASP A 18 13.761 16.542 -8.266 1.00 1.42 N ATOM 248 CA ASP A 18 13.828 17.113 -9.606 1.00 12.50 C ATOM 249 C ASP A 18 12.897 16.372 -10.560 1.00 34.33 C ATOM 250 O ASP A 18 12.316 16.969 -11.465 1.00 75.13 O ATOM 251 CB ASP A 18 15.263 17.065 -10.133 1.00 74.44 C ATOM 252 CG ASP A 18 15.918 18.431 -10.155 1.00 5.32 C ATOM 253 OD1 ASP A 18 15.185 19.441 -10.214 1.00 23.23 O ATOM 254 OD2 ASP A 18 17.165 18.491 -10.112 1.00 11.53 O ATOM 0 H ASP A 18 14.609 16.058 -7.971 1.00 1.42 H new ATOM 0 HA ASP A 18 13.506 18.153 -9.548 1.00 12.50 H new ATOM 0 HB2 ASP A 18 15.853 16.392 -9.510 1.00 74.44 H new ATOM 0 HB3 ASP A 18 15.263 16.649 -11.141 1.00 74.44 H new ATOM 259 N ALA A 19 12.761 15.066 -10.350 1.00 54.41 N ATOM 260 CA ALA A 19 11.900 14.243 -11.190 1.00 53.33 C ATOM 261 C ALA A 19 10.544 14.908 -11.405 1.00 1.02 C ATOM 262 O ALA A 19 9.829 14.587 -12.354 1.00 3.23 O ATOM 263 CB ALA A 19 11.722 12.864 -10.573 1.00 14.34 C ATOM 0 H ALA A 19 13.236 14.556 -9.605 1.00 54.41 H new ATOM 0 HA ALA A 19 12.380 14.134 -12.163 1.00 53.33 H new ATOM 0 HB1 ALA A 19 11.077 12.260 -11.211 1.00 14.34 H new ATOM 0 HB2 ALA A 19 12.694 12.380 -10.478 1.00 14.34 H new ATOM 0 HB3 ALA A 19 11.268 12.962 -9.587 1.00 14.34 H new ATOM 269 N GLN A 20 10.197 15.834 -10.517 1.00 3.21 N ATOM 270 CA GLN A 20 8.926 16.542 -10.609 1.00 41.54 C ATOM 271 C GLN A 20 9.131 17.963 -11.124 1.00 51.34 C ATOM 272 O GLN A 20 8.479 18.388 -12.078 1.00 1.11 O ATOM 273 CB GLN A 20 8.237 16.576 -9.244 1.00 55.45 C ATOM 274 CG GLN A 20 7.201 15.479 -9.058 1.00 64.23 C ATOM 275 CD GLN A 20 7.644 14.153 -9.645 1.00 45.12 C ATOM 276 OE1 GLN A 20 7.081 13.679 -10.632 1.00 20.51 O ATOM 277 NE2 GLN A 20 8.659 13.547 -9.040 1.00 44.21 N ATOM 0 H GLN A 20 10.778 16.111 -9.726 1.00 3.21 H new ATOM 0 HA GLN A 20 8.291 16.007 -11.315 1.00 41.54 H new ATOM 0 HB2 GLN A 20 8.992 16.487 -8.463 1.00 55.45 H new ATOM 0 HB3 GLN A 20 7.755 17.545 -9.113 1.00 55.45 H new ATOM 0 HG2 GLN A 20 6.999 15.352 -7.994 1.00 64.23 H new ATOM 0 HG3 GLN A 20 6.265 15.785 -9.526 1.00 64.23 H new ATOM 0 HE21 GLN A 20 9.096 13.976 -8.224 1.00 44.21 H new ATOM 0 HE22 GLN A 20 9.001 12.653 -9.391 1.00 44.21 H new ATOM 286 N MET A 21 10.040 18.693 -10.487 1.00 1.34 N ATOM 287 CA MET A 21 10.331 20.067 -10.881 1.00 72.35 C ATOM 288 C MET A 21 10.545 20.165 -12.388 1.00 44.35 C ATOM 289 O MET A 21 10.413 21.239 -12.976 1.00 40.34 O ATOM 290 CB MET A 21 11.568 20.581 -10.144 1.00 25.04 C ATOM 291 CG MET A 21 11.314 21.845 -9.338 1.00 44.04 C ATOM 292 SD MET A 21 11.041 21.510 -7.588 1.00 3.31 S ATOM 293 CE MET A 21 9.608 20.439 -7.668 1.00 0.14 C ATOM 0 H MET A 21 10.588 18.356 -9.695 1.00 1.34 H new ATOM 0 HA MET A 21 9.475 20.685 -10.612 1.00 72.35 H new ATOM 0 HB2 MET A 21 11.933 19.801 -9.476 1.00 25.04 H new ATOM 0 HB3 MET A 21 12.358 20.775 -10.869 1.00 25.04 H new ATOM 0 HG2 MET A 21 12.165 22.518 -9.447 1.00 44.04 H new ATOM 0 HG3 MET A 21 10.445 22.362 -9.745 1.00 44.04 H new ATOM 0 HE1 MET A 21 9.086 20.458 -6.711 1.00 0.14 H new ATOM 0 HE2 MET A 21 8.938 20.786 -8.454 1.00 0.14 H new ATOM 0 HE3 MET A 21 9.927 19.420 -7.887 1.00 0.14 H new ATOM 303 N THR A 22 10.878 19.038 -13.010 1.00 20.24 N ATOM 304 CA THR A 22 11.112 18.998 -14.447 1.00 64.24 C ATOM 305 C THR A 22 9.845 18.608 -15.200 1.00 45.13 C ATOM 306 O THR A 22 9.688 18.926 -16.379 1.00 44.52 O ATOM 307 CB THR A 22 12.235 18.006 -14.806 1.00 72.23 C ATOM 308 OG1 THR A 22 13.471 18.707 -14.983 1.00 14.41 O ATOM 309 CG2 THR A 22 11.895 17.240 -16.076 1.00 33.12 C ATOM 0 H THR A 22 10.992 18.140 -12.540 1.00 20.24 H new ATOM 0 HA THR A 22 11.414 20.002 -14.746 1.00 64.24 H new ATOM 0 HB THR A 22 12.336 17.294 -13.987 1.00 72.23 H new ATOM 0 HG1 THR A 22 14.180 18.069 -15.209 1.00 14.41 H new ATOM 0 HG21 THR A 22 12.702 16.546 -16.309 1.00 33.12 H new ATOM 0 HG22 THR A 22 10.969 16.684 -15.929 1.00 33.12 H new ATOM 0 HG23 THR A 22 11.769 17.941 -16.901 1.00 33.12 H new ATOM 317 N LYS A 23 8.943 17.917 -14.512 1.00 53.52 N ATOM 318 CA LYS A 23 7.687 17.485 -15.115 1.00 2.32 C ATOM 319 C LYS A 23 6.648 18.601 -15.068 1.00 5.35 C ATOM 320 O LYS A 23 5.448 18.349 -15.160 1.00 73.42 O ATOM 321 CB LYS A 23 7.152 16.245 -14.395 1.00 3.43 C ATOM 322 CG LYS A 23 7.421 14.948 -15.137 1.00 24.33 C ATOM 323 CD LYS A 23 7.441 13.758 -14.191 1.00 42.50 C ATOM 324 CE LYS A 23 8.591 12.814 -14.507 1.00 3.53 C ATOM 325 NZ LYS A 23 8.316 11.428 -14.037 1.00 51.35 N ATOM 0 H LYS A 23 9.058 17.644 -13.536 1.00 53.52 H new ATOM 0 HA LYS A 23 7.881 17.237 -16.159 1.00 2.32 H new ATOM 0 HB2 LYS A 23 7.603 16.187 -13.404 1.00 3.43 H new ATOM 0 HB3 LYS A 23 6.077 16.355 -14.250 1.00 3.43 H new ATOM 0 HG2 LYS A 23 6.654 14.797 -15.897 1.00 24.33 H new ATOM 0 HG3 LYS A 23 8.376 15.017 -15.657 1.00 24.33 H new ATOM 0 HD2 LYS A 23 7.530 14.110 -13.163 1.00 42.50 H new ATOM 0 HD3 LYS A 23 6.496 13.219 -14.263 1.00 42.50 H new ATOM 0 HE2 LYS A 23 8.768 12.804 -15.583 1.00 3.53 H new ATOM 0 HE3 LYS A 23 9.503 13.183 -14.037 1.00 3.53 H new ATOM 0 HZ1 LYS A 23 9.123 10.815 -14.271 1.00 51.35 H new ATOM 0 HZ2 LYS A 23 8.172 11.433 -13.007 1.00 51.35 H new ATOM 0 HZ3 LYS A 23 7.460 11.066 -14.504 1.00 51.35 H new ATOM 339 N ALA A 24 7.119 19.836 -14.924 1.00 61.12 N ATOM 340 CA ALA A 24 6.231 20.990 -14.868 1.00 50.35 C ATOM 341 C ALA A 24 6.556 21.987 -15.976 1.00 4.35 C ATOM 342 O ALA A 24 5.660 22.510 -16.638 1.00 70.55 O ATOM 343 CB ALA A 24 6.324 21.662 -13.506 1.00 54.25 C ATOM 0 H ALA A 24 8.110 20.062 -14.844 1.00 61.12 H new ATOM 0 HA ALA A 24 5.210 20.640 -15.019 1.00 50.35 H new ATOM 0 HB1 ALA A 24 5.655 22.522 -13.478 1.00 54.25 H new ATOM 0 HB2 ALA A 24 6.035 20.953 -12.730 1.00 54.25 H new ATOM 0 HB3 ALA A 24 7.348 21.993 -13.333 1.00 54.25 H new ATOM 349 N LYS A 25 7.845 22.248 -16.170 1.00 54.24 N ATOM 350 CA LYS A 25 8.290 23.182 -17.198 1.00 14.44 C ATOM 351 C LYS A 25 7.954 22.660 -18.591 1.00 35.03 C ATOM 352 O LYS A 25 7.421 23.391 -19.425 1.00 61.12 O ATOM 353 CB LYS A 25 9.797 23.421 -17.081 1.00 32.13 C ATOM 354 CG LYS A 25 10.610 22.141 -16.996 1.00 44.14 C ATOM 355 CD LYS A 25 11.682 22.231 -15.923 1.00 41.31 C ATOM 356 CE LYS A 25 12.323 23.610 -15.890 1.00 1.31 C ATOM 357 NZ LYS A 25 13.802 23.531 -15.739 1.00 24.21 N ATOM 0 H LYS A 25 8.599 21.826 -15.629 1.00 54.24 H new ATOM 0 HA LYS A 25 7.766 24.126 -17.047 1.00 14.44 H new ATOM 0 HB2 LYS A 25 10.133 23.999 -17.942 1.00 32.13 H new ATOM 0 HB3 LYS A 25 9.993 24.026 -16.196 1.00 32.13 H new ATOM 0 HG2 LYS A 25 9.948 21.302 -16.781 1.00 44.14 H new ATOM 0 HG3 LYS A 25 11.076 21.940 -17.961 1.00 44.14 H new ATOM 0 HD2 LYS A 25 11.244 22.009 -14.950 1.00 41.31 H new ATOM 0 HD3 LYS A 25 12.447 21.477 -16.108 1.00 41.31 H new ATOM 0 HE2 LYS A 25 12.080 24.145 -16.808 1.00 1.31 H new ATOM 0 HE3 LYS A 25 11.904 24.186 -15.065 1.00 1.31 H new ATOM 0 HZ1 LYS A 25 14.201 24.491 -15.721 1.00 24.21 H new ATOM 0 HZ2 LYS A 25 14.035 23.043 -14.851 1.00 24.21 H new ATOM 0 HZ3 LYS A 25 14.205 23.004 -16.540 1.00 24.21 H new ATOM 371 N GLU A 26 8.267 21.391 -18.834 1.00 10.13 N ATOM 372 CA GLU A 26 7.997 20.772 -20.126 1.00 52.20 C ATOM 373 C GLU A 26 6.509 20.475 -20.286 1.00 73.15 C ATOM 374 O GLU A 26 5.921 20.741 -21.335 1.00 24.33 O ATOM 375 CB GLU A 26 8.805 19.482 -20.277 1.00 61.24 C ATOM 376 CG GLU A 26 8.924 18.683 -18.990 1.00 53.31 C ATOM 377 CD GLU A 26 8.731 17.195 -19.207 1.00 30.01 C ATOM 378 OE1 GLU A 26 7.715 16.811 -19.823 1.00 42.34 O ATOM 379 OE2 GLU A 26 9.597 16.414 -18.760 1.00 30.02 O ATOM 0 H GLU A 26 8.708 20.772 -18.153 1.00 10.13 H new ATOM 0 HA GLU A 26 8.296 21.473 -20.906 1.00 52.20 H new ATOM 0 HB2 GLU A 26 8.339 18.859 -21.040 1.00 61.24 H new ATOM 0 HB3 GLU A 26 9.804 19.729 -20.635 1.00 61.24 H new ATOM 0 HG2 GLU A 26 9.905 18.858 -18.548 1.00 53.31 H new ATOM 0 HG3 GLU A 26 8.184 19.041 -18.275 1.00 53.31 H new ATOM 386 N ALA A 27 5.906 19.921 -19.240 1.00 13.35 N ATOM 387 CA ALA A 27 4.487 19.589 -19.263 1.00 34.01 C ATOM 388 C ALA A 27 3.631 20.843 -19.407 1.00 44.20 C ATOM 389 O ALA A 27 2.523 20.793 -19.938 1.00 72.21 O ATOM 390 CB ALA A 27 4.102 18.828 -18.003 1.00 21.50 C ATOM 0 H ALA A 27 6.378 19.692 -18.365 1.00 13.35 H new ATOM 0 HA ALA A 27 4.303 18.954 -20.129 1.00 34.01 H new ATOM 0 HB1 ALA A 27 3.039 18.587 -18.034 1.00 21.50 H new ATOM 0 HB2 ALA A 27 4.682 17.907 -17.943 1.00 21.50 H new ATOM 0 HB3 ALA A 27 4.309 19.444 -17.128 1.00 21.50 H new ATOM 396 N GLY A 28 4.154 21.969 -18.930 1.00 21.34 N ATOM 397 CA GLY A 28 3.424 23.220 -19.014 1.00 41.14 C ATOM 398 C GLY A 28 2.478 23.419 -17.847 1.00 53.43 C ATOM 399 O GLY A 28 1.419 24.030 -17.994 1.00 35.11 O ATOM 0 H GLY A 28 5.070 22.037 -18.487 1.00 21.34 H new ATOM 0 HA2 GLY A 28 4.132 24.048 -19.049 1.00 41.14 H new ATOM 0 HA3 GLY A 28 2.858 23.245 -19.945 1.00 41.14 H new ATOM 403 N LYS A 29 2.858 22.902 -16.684 1.00 41.11 N ATOM 404 CA LYS A 29 2.036 23.025 -15.486 1.00 3.20 C ATOM 405 C LYS A 29 2.831 23.647 -14.342 1.00 64.33 C ATOM 406 O LYS A 29 4.059 23.721 -14.395 1.00 21.22 O ATOM 407 CB LYS A 29 1.504 21.654 -15.065 1.00 33.33 C ATOM 408 CG LYS A 29 2.518 20.813 -14.309 1.00 3.21 C ATOM 409 CD LYS A 29 2.642 19.420 -14.903 1.00 50.32 C ATOM 410 CE LYS A 29 1.291 18.883 -15.350 1.00 50.12 C ATOM 411 NZ LYS A 29 1.154 17.426 -15.074 1.00 4.21 N ATOM 0 H LYS A 29 3.731 22.393 -16.545 1.00 41.11 H new ATOM 0 HA LYS A 29 1.195 23.679 -15.718 1.00 3.20 H new ATOM 0 HB2 LYS A 29 0.622 21.792 -14.440 1.00 33.33 H new ATOM 0 HB3 LYS A 29 1.183 21.110 -15.953 1.00 33.33 H new ATOM 0 HG2 LYS A 29 3.490 21.306 -14.331 1.00 3.21 H new ATOM 0 HG3 LYS A 29 2.222 20.738 -13.263 1.00 3.21 H new ATOM 0 HD2 LYS A 29 3.324 19.445 -15.753 1.00 50.32 H new ATOM 0 HD3 LYS A 29 3.077 18.746 -14.165 1.00 50.32 H new ATOM 0 HE2 LYS A 29 0.497 19.426 -14.837 1.00 50.12 H new ATOM 0 HE3 LYS A 29 1.163 19.064 -16.417 1.00 50.12 H new ATOM 0 HZ1 LYS A 29 0.220 17.099 -15.393 1.00 4.21 H new ATOM 0 HZ2 LYS A 29 1.896 16.905 -15.583 1.00 4.21 H new ATOM 0 HZ3 LYS A 29 1.250 17.256 -14.053 1.00 4.21 H new ATOM 425 N VAL A 30 2.124 24.091 -13.308 1.00 53.25 N ATOM 426 CA VAL A 30 2.764 24.704 -12.151 1.00 31.14 C ATOM 427 C VAL A 30 3.366 23.647 -11.232 1.00 60.41 C ATOM 428 O VAL A 30 3.001 22.473 -11.296 1.00 32.45 O ATOM 429 CB VAL A 30 1.768 25.560 -11.346 1.00 72.02 C ATOM 430 CG1 VAL A 30 1.742 25.123 -9.890 1.00 24.35 C ATOM 431 CG2 VAL A 30 2.119 27.036 -11.462 1.00 71.54 C ATOM 0 H VAL A 30 1.107 24.037 -13.248 1.00 53.25 H new ATOM 0 HA VAL A 30 3.558 25.346 -12.532 1.00 31.14 H new ATOM 0 HB VAL A 30 0.771 25.413 -11.762 1.00 72.02 H new ATOM 0 HG11 VAL A 30 1.033 25.739 -9.338 1.00 24.35 H new ATOM 0 HG12 VAL A 30 1.439 24.078 -9.829 1.00 24.35 H new ATOM 0 HG13 VAL A 30 2.736 25.238 -9.458 1.00 24.35 H new ATOM 0 HG21 VAL A 30 1.405 27.626 -10.887 1.00 71.54 H new ATOM 0 HG22 VAL A 30 3.124 27.203 -11.073 1.00 71.54 H new ATOM 0 HG23 VAL A 30 2.080 27.338 -12.509 1.00 71.54 H new ATOM 441 N VAL A 31 4.291 24.071 -10.377 1.00 62.21 N ATOM 442 CA VAL A 31 4.944 23.161 -9.443 1.00 52.02 C ATOM 443 C VAL A 31 4.570 23.491 -8.003 1.00 34.25 C ATOM 444 O VAL A 31 4.329 24.650 -7.663 1.00 24.32 O ATOM 445 CB VAL A 31 6.476 23.212 -9.588 1.00 64.34 C ATOM 446 CG1 VAL A 31 7.147 22.502 -8.423 1.00 22.45 C ATOM 447 CG2 VAL A 31 6.906 22.601 -10.914 1.00 10.12 C ATOM 0 H VAL A 31 4.605 25.039 -10.312 1.00 62.21 H new ATOM 0 HA VAL A 31 4.597 22.156 -9.685 1.00 52.02 H new ATOM 0 HB VAL A 31 6.790 24.256 -9.576 1.00 64.34 H new ATOM 0 HG11 VAL A 31 8.229 22.549 -8.543 1.00 22.45 H new ATOM 0 HG12 VAL A 31 6.864 22.988 -7.489 1.00 22.45 H new ATOM 0 HG13 VAL A 31 6.829 21.460 -8.400 1.00 22.45 H new ATOM 0 HG21 VAL A 31 7.992 22.645 -11.000 1.00 10.12 H new ATOM 0 HG22 VAL A 31 6.581 21.562 -10.958 1.00 10.12 H new ATOM 0 HG23 VAL A 31 6.454 23.158 -11.735 1.00 10.12 H new ATOM 457 N ILE A 32 4.523 22.465 -7.160 1.00 34.33 N ATOM 458 CA ILE A 32 4.179 22.646 -5.755 1.00 22.12 C ATOM 459 C ILE A 32 4.990 21.710 -4.865 1.00 62.44 C ATOM 460 O ILE A 32 4.624 20.550 -4.671 1.00 64.04 O ATOM 461 CB ILE A 32 2.679 22.401 -5.506 1.00 2.03 C ATOM 462 CG1 ILE A 32 1.837 23.231 -6.477 1.00 34.24 C ATOM 463 CG2 ILE A 32 2.320 22.735 -4.065 1.00 61.25 C ATOM 464 CD1 ILE A 32 1.378 22.457 -7.693 1.00 23.34 C ATOM 0 H ILE A 32 4.719 21.500 -7.425 1.00 34.33 H new ATOM 0 HA ILE A 32 4.417 23.680 -5.503 1.00 22.12 H new ATOM 0 HB ILE A 32 2.464 21.346 -5.678 1.00 2.03 H new ATOM 0 HG12 ILE A 32 0.964 23.616 -5.950 1.00 34.24 H new ATOM 0 HG13 ILE A 32 2.418 24.093 -6.803 1.00 34.24 H new ATOM 0 HG21 ILE A 32 1.257 22.557 -3.904 1.00 61.25 H new ATOM 0 HG22 ILE A 32 2.900 22.105 -3.390 1.00 61.25 H new ATOM 0 HG23 ILE A 32 2.546 23.783 -3.867 1.00 61.25 H new ATOM 0 HD11 ILE A 32 0.787 23.108 -8.337 1.00 23.34 H new ATOM 0 HD12 ILE A 32 2.247 22.095 -8.243 1.00 23.34 H new ATOM 0 HD13 ILE A 32 0.770 21.610 -7.377 1.00 23.34 H new ATOM 476 N ILE A 33 6.092 22.221 -4.326 1.00 54.23 N ATOM 477 CA ILE A 33 6.953 21.431 -3.455 1.00 12.52 C ATOM 478 C ILE A 33 6.617 21.670 -1.987 1.00 13.43 C ATOM 479 O ILE A 33 6.533 22.813 -1.536 1.00 41.25 O ATOM 480 CB ILE A 33 8.440 21.756 -3.689 1.00 0.03 C ATOM 481 CG1 ILE A 33 8.650 22.298 -5.104 1.00 53.40 C ATOM 482 CG2 ILE A 33 9.295 20.519 -3.458 1.00 32.13 C ATOM 483 CD1 ILE A 33 8.562 23.806 -5.193 1.00 32.14 C ATOM 0 H ILE A 33 6.409 23.178 -4.477 1.00 54.23 H new ATOM 0 HA ILE A 33 6.775 20.384 -3.700 1.00 12.52 H new ATOM 0 HB ILE A 33 8.745 22.523 -2.977 1.00 0.03 H new ATOM 0 HG12 ILE A 33 9.627 21.977 -5.466 1.00 53.40 H new ATOM 0 HG13 ILE A 33 7.904 21.859 -5.767 1.00 53.40 H new ATOM 0 HG21 ILE A 33 10.343 20.765 -3.627 1.00 32.13 H new ATOM 0 HG22 ILE A 33 9.164 20.173 -2.433 1.00 32.13 H new ATOM 0 HG23 ILE A 33 8.991 19.732 -4.148 1.00 32.13 H new ATOM 0 HD11 ILE A 33 8.721 24.119 -6.225 1.00 32.14 H new ATOM 0 HD12 ILE A 33 7.576 24.133 -4.862 1.00 32.14 H new ATOM 0 HD13 ILE A 33 9.325 24.253 -4.556 1.00 32.14 H new ATOM 495 N ASP A 34 6.427 20.585 -1.245 1.00 33.11 N ATOM 496 CA ASP A 34 6.103 20.676 0.174 1.00 34.31 C ATOM 497 C ASP A 34 7.309 20.307 1.032 1.00 43.33 C ATOM 498 O ASP A 34 7.526 19.137 1.347 1.00 11.11 O ATOM 499 CB ASP A 34 4.924 19.760 0.509 1.00 3.15 C ATOM 500 CG ASP A 34 5.017 19.187 1.910 1.00 61.42 C ATOM 501 OD1 ASP A 34 5.371 19.943 2.838 1.00 42.01 O ATOM 502 OD2 ASP A 34 4.736 17.981 2.077 1.00 4.15 O ATOM 0 H ASP A 34 6.492 19.632 -1.602 1.00 33.11 H new ATOM 0 HA ASP A 34 5.826 21.707 0.393 1.00 34.31 H new ATOM 0 HB2 ASP A 34 3.993 20.319 0.409 1.00 3.15 H new ATOM 0 HB3 ASP A 34 4.885 18.944 -0.213 1.00 3.15 H new ATOM 507 N PHE A 35 8.093 21.314 1.405 1.00 73.30 N ATOM 508 CA PHE A 35 9.279 21.096 2.224 1.00 21.44 C ATOM 509 C PHE A 35 8.900 20.530 3.590 1.00 4.53 C ATOM 510 O PHE A 35 7.781 20.059 3.792 1.00 54.11 O ATOM 511 CB PHE A 35 10.053 22.404 2.398 1.00 14.41 C ATOM 512 CG PHE A 35 10.934 22.739 1.229 1.00 51.51 C ATOM 513 CD1 PHE A 35 12.010 21.930 0.901 1.00 11.41 C ATOM 514 CD2 PHE A 35 10.687 23.864 0.458 1.00 33.00 C ATOM 515 CE1 PHE A 35 12.823 22.236 -0.174 1.00 73.34 C ATOM 516 CE2 PHE A 35 11.496 24.174 -0.619 1.00 13.02 C ATOM 517 CZ PHE A 35 12.566 23.360 -0.935 1.00 33.34 C ATOM 0 H PHE A 35 7.928 22.288 1.153 1.00 73.30 H new ATOM 0 HA PHE A 35 9.914 20.372 1.714 1.00 21.44 H new ATOM 0 HB2 PHE A 35 9.345 23.218 2.554 1.00 14.41 H new ATOM 0 HB3 PHE A 35 10.666 22.338 3.297 1.00 14.41 H new ATOM 0 HD1 PHE A 35 12.216 21.050 1.492 1.00 11.41 H new ATOM 0 HD2 PHE A 35 9.853 24.506 0.701 1.00 33.00 H new ATOM 0 HE1 PHE A 35 13.658 21.597 -0.419 1.00 73.34 H new ATOM 0 HE2 PHE A 35 11.291 25.052 -1.213 1.00 13.02 H new ATOM 0 HZ PHE A 35 13.200 23.602 -1.775 1.00 33.34 H new ATOM 527 N THR A 36 9.843 20.581 4.527 1.00 73.52 N ATOM 528 CA THR A 36 9.610 20.073 5.873 1.00 60.30 C ATOM 529 C THR A 36 10.923 19.884 6.624 1.00 41.10 C ATOM 530 O THR A 36 11.902 19.388 6.067 1.00 71.01 O ATOM 531 CB THR A 36 8.851 18.733 5.844 1.00 31.35 C ATOM 532 OG1 THR A 36 9.084 18.012 7.060 1.00 72.24 O ATOM 533 CG2 THR A 36 9.287 17.889 4.657 1.00 64.35 C ATOM 0 H THR A 36 10.774 20.969 4.378 1.00 73.52 H new ATOM 0 HA THR A 36 9.002 20.815 6.390 1.00 60.30 H new ATOM 0 HB THR A 36 7.786 18.946 5.746 1.00 31.35 H new ATOM 0 HG1 THR A 36 8.597 17.162 7.035 1.00 72.24 H new ATOM 0 HG21 THR A 36 8.737 16.948 4.658 1.00 64.35 H new ATOM 0 HG22 THR A 36 9.082 18.428 3.732 1.00 64.35 H new ATOM 0 HG23 THR A 36 10.355 17.685 4.728 1.00 64.35 H new ATOM 629 N ARG A 44 0.015 14.423 9.147 1.00 51.41 N ATOM 630 CA ARG A 44 -1.034 13.463 9.468 1.00 53.42 C ATOM 631 C ARG A 44 -2.414 14.100 9.329 1.00 33.43 C ATOM 632 O ARG A 44 -3.294 13.560 8.658 1.00 21.32 O ATOM 633 CB ARG A 44 -0.848 12.928 10.889 1.00 50.03 C ATOM 634 CG ARG A 44 0.123 11.762 10.978 1.00 71.02 C ATOM 635 CD ARG A 44 -0.324 10.743 12.015 1.00 44.32 C ATOM 636 NE ARG A 44 0.744 10.418 12.957 1.00 35.22 N ATOM 637 CZ ARG A 44 0.527 9.911 14.166 1.00 43.30 C ATOM 638 NH1 ARG A 44 -0.711 9.673 14.577 1.00 44.11 N ATOM 639 NH2 ARG A 44 1.551 9.641 14.966 1.00 14.44 N ATOM 0 HA ARG A 44 -0.962 12.635 8.763 1.00 53.42 H new ATOM 0 HB2 ARG A 44 -0.492 13.736 11.529 1.00 50.03 H new ATOM 0 HB3 ARG A 44 -1.816 12.614 11.280 1.00 50.03 H new ATOM 0 HG2 ARG A 44 0.204 11.280 10.004 1.00 71.02 H new ATOM 0 HG3 ARG A 44 1.116 12.132 11.234 1.00 71.02 H new ATOM 0 HD2 ARG A 44 -1.183 11.134 12.561 1.00 44.32 H new ATOM 0 HD3 ARG A 44 -0.653 9.834 11.512 1.00 44.32 H new ATOM 0 HE ARG A 44 1.708 10.589 12.671 1.00 35.22 H new ATOM 0 HH11 ARG A 44 -1.500 9.879 13.965 1.00 44.11 H new ATOM 0 HH12 ARG A 44 -0.874 9.284 15.506 1.00 44.11 H new ATOM 0 HH21 ARG A 44 2.505 9.823 14.653 1.00 14.44 H new ATOM 0 HH22 ARG A 44 1.384 9.252 15.894 1.00 14.44 H new ATOM 653 N PHE A 45 -2.597 15.250 9.969 1.00 4.01 N ATOM 654 CA PHE A 45 -3.870 15.959 9.919 1.00 43.42 C ATOM 655 C PHE A 45 -4.196 16.390 8.492 1.00 51.50 C ATOM 656 O PHE A 45 -5.308 16.177 8.007 1.00 43.31 O ATOM 657 CB PHE A 45 -3.833 17.183 10.837 1.00 22.43 C ATOM 658 CG PHE A 45 -4.919 18.180 10.552 1.00 71.34 C ATOM 659 CD1 PHE A 45 -6.149 18.083 11.181 1.00 14.34 C ATOM 660 CD2 PHE A 45 -4.710 19.213 9.653 1.00 50.22 C ATOM 661 CE1 PHE A 45 -7.151 18.999 10.921 1.00 12.41 C ATOM 662 CE2 PHE A 45 -5.708 20.133 9.389 1.00 63.52 C ATOM 663 CZ PHE A 45 -6.930 20.025 10.023 1.00 71.23 C ATOM 0 H PHE A 45 -1.879 15.711 10.529 1.00 4.01 H new ATOM 0 HA PHE A 45 -4.650 15.279 10.262 1.00 43.42 H new ATOM 0 HB2 PHE A 45 -3.917 16.853 11.872 1.00 22.43 H new ATOM 0 HB3 PHE A 45 -2.865 17.674 10.736 1.00 22.43 H new ATOM 0 HD1 PHE A 45 -6.327 17.282 11.883 1.00 14.34 H new ATOM 0 HD2 PHE A 45 -3.757 19.301 9.153 1.00 50.22 H new ATOM 0 HE1 PHE A 45 -8.105 18.913 11.419 1.00 12.41 H new ATOM 0 HE2 PHE A 45 -5.532 20.935 8.688 1.00 63.52 H new ATOM 0 HZ PHE A 45 -7.711 20.741 9.817 1.00 71.23 H new ATOM 673 N ILE A 46 -3.220 16.998 7.826 1.00 0.10 N ATOM 674 CA ILE A 46 -3.403 17.459 6.455 1.00 23.32 C ATOM 675 C ILE A 46 -2.748 16.504 5.463 1.00 73.14 C ATOM 676 O ILE A 46 -2.624 16.813 4.278 1.00 2.30 O ATOM 677 CB ILE A 46 -2.820 18.870 6.253 1.00 32.02 C ATOM 678 CG1 ILE A 46 -3.532 19.579 5.099 1.00 14.15 C ATOM 679 CG2 ILE A 46 -1.324 18.793 5.991 1.00 25.34 C ATOM 680 CD1 ILE A 46 -3.531 21.087 5.224 1.00 62.44 C ATOM 0 H ILE A 46 -2.295 17.183 8.213 1.00 0.10 H new ATOM 0 HA ILE A 46 -4.477 17.489 6.272 1.00 23.32 H new ATOM 0 HB ILE A 46 -2.980 19.447 7.164 1.00 32.02 H new ATOM 0 HG12 ILE A 46 -3.053 19.300 4.161 1.00 14.15 H new ATOM 0 HG13 ILE A 46 -4.562 19.227 5.048 1.00 14.15 H new ATOM 0 HG21 ILE A 46 -0.927 19.798 5.850 1.00 25.34 H new ATOM 0 HG22 ILE A 46 -0.829 18.323 6.841 1.00 25.34 H new ATOM 0 HG23 ILE A 46 -1.142 18.202 5.093 1.00 25.34 H new ATOM 0 HD11 ILE A 46 -4.052 21.523 4.372 1.00 62.44 H new ATOM 0 HD12 ILE A 46 -4.036 21.376 6.145 1.00 62.44 H new ATOM 0 HD13 ILE A 46 -2.503 21.450 5.245 1.00 62.44 H new ATOM 692 N ALA A 47 -2.333 15.341 5.954 1.00 13.02 N ATOM 693 CA ALA A 47 -1.695 14.339 5.110 1.00 72.22 C ATOM 694 C ALA A 47 -2.600 13.943 3.948 1.00 33.22 C ATOM 695 O ALA A 47 -2.214 14.001 2.781 1.00 42.23 O ATOM 696 CB ALA A 47 -1.323 13.114 5.933 1.00 55.31 C ATOM 0 H ALA A 47 -2.427 15.070 6.933 1.00 13.02 H new ATOM 0 HA ALA A 47 -0.786 14.775 4.696 1.00 72.22 H new ATOM 0 HB1 ALA A 47 -0.847 12.374 5.289 1.00 55.31 H new ATOM 0 HB2 ALA A 47 -0.632 13.404 6.725 1.00 55.31 H new ATOM 0 HB3 ALA A 47 -2.223 12.686 6.375 1.00 55.31 H new ATOM 702 N PRO A 48 -3.834 13.529 4.273 1.00 52.22 N ATOM 703 CA PRO A 48 -4.820 13.115 3.270 1.00 42.13 C ATOM 704 C PRO A 48 -5.326 14.287 2.436 1.00 41.30 C ATOM 705 O PRO A 48 -6.209 14.127 1.593 1.00 0.23 O ATOM 706 CB PRO A 48 -5.956 12.527 4.110 1.00 22.13 C ATOM 707 CG PRO A 48 -5.833 13.197 5.435 1.00 24.43 C ATOM 708 CD PRO A 48 -4.363 13.434 5.644 1.00 5.40 C ATOM 0 HA PRO A 48 -4.398 12.415 2.549 1.00 42.13 H new ATOM 0 HB2 PRO A 48 -6.927 12.724 3.656 1.00 22.13 H new ATOM 0 HB3 PRO A 48 -5.861 11.445 4.203 1.00 22.13 H new ATOM 0 HG2 PRO A 48 -6.386 14.136 5.450 1.00 24.43 H new ATOM 0 HG3 PRO A 48 -6.244 12.572 6.228 1.00 24.43 H new ATOM 0 HD2 PRO A 48 -4.180 14.348 6.210 1.00 5.40 H new ATOM 0 HD3 PRO A 48 -3.899 12.618 6.198 1.00 5.40 H new ATOM 716 N VAL A 49 -4.761 15.466 2.676 1.00 4.11 N ATOM 717 CA VAL A 49 -5.154 16.665 1.946 1.00 43.41 C ATOM 718 C VAL A 49 -4.179 16.963 0.812 1.00 4.04 C ATOM 719 O VAL A 49 -4.586 17.210 -0.323 1.00 31.41 O ATOM 720 CB VAL A 49 -5.230 17.890 2.877 1.00 32.33 C ATOM 721 CG1 VAL A 49 -5.071 19.177 2.082 1.00 31.41 C ATOM 722 CG2 VAL A 49 -6.540 17.889 3.650 1.00 14.53 C ATOM 0 H VAL A 49 -4.029 15.616 3.371 1.00 4.11 H new ATOM 0 HA VAL A 49 -6.143 16.472 1.530 1.00 43.41 H new ATOM 0 HB VAL A 49 -4.411 17.832 3.594 1.00 32.33 H new ATOM 0 HG11 VAL A 49 -5.128 20.031 2.757 1.00 31.41 H new ATOM 0 HG12 VAL A 49 -4.105 19.176 1.578 1.00 31.41 H new ATOM 0 HG13 VAL A 49 -5.867 19.247 1.341 1.00 31.41 H new ATOM 0 HG21 VAL A 49 -6.578 18.761 4.303 1.00 14.53 H new ATOM 0 HG22 VAL A 49 -7.375 17.923 2.951 1.00 14.53 H new ATOM 0 HG23 VAL A 49 -6.607 16.982 4.251 1.00 14.53 H new ATOM 732 N PHE A 50 -2.888 16.938 1.128 1.00 61.22 N ATOM 733 CA PHE A 50 -1.853 17.205 0.136 1.00 52.53 C ATOM 734 C PHE A 50 -1.870 16.150 -0.966 1.00 54.24 C ATOM 735 O PHE A 50 -2.252 16.430 -2.102 1.00 42.14 O ATOM 736 CB PHE A 50 -0.476 17.242 0.801 1.00 21.42 C ATOM 737 CG PHE A 50 -0.360 18.278 1.882 1.00 24.34 C ATOM 738 CD1 PHE A 50 -1.334 19.251 2.035 1.00 20.12 C ATOM 739 CD2 PHE A 50 0.724 18.278 2.746 1.00 13.22 C ATOM 740 CE1 PHE A 50 -1.229 20.206 3.029 1.00 62.13 C ATOM 741 CE2 PHE A 50 0.834 19.230 3.742 1.00 10.40 C ATOM 742 CZ PHE A 50 -0.144 20.195 3.884 1.00 73.10 C ATOM 0 H PHE A 50 -2.534 16.736 2.063 1.00 61.22 H new ATOM 0 HA PHE A 50 -2.058 18.177 -0.313 1.00 52.53 H new ATOM 0 HB2 PHE A 50 -0.259 16.261 1.224 1.00 21.42 H new ATOM 0 HB3 PHE A 50 0.281 17.435 0.041 1.00 21.42 H new ATOM 0 HD1 PHE A 50 -2.185 19.264 1.370 1.00 20.12 H new ATOM 0 HD2 PHE A 50 1.491 17.526 2.640 1.00 13.22 H new ATOM 0 HE1 PHE A 50 -1.995 20.960 3.137 1.00 62.13 H new ATOM 0 HE2 PHE A 50 1.684 19.219 4.409 1.00 10.40 H new ATOM 0 HZ PHE A 50 -0.061 20.939 4.662 1.00 73.10 H new ATOM 752 N ALA A 51 -1.454 14.936 -0.622 1.00 3.35 N ATOM 753 CA ALA A 51 -1.422 13.839 -1.580 1.00 32.51 C ATOM 754 C ALA A 51 -2.712 13.781 -2.391 1.00 72.21 C ATOM 755 O ALA A 51 -2.681 13.692 -3.618 1.00 25.10 O ATOM 756 CB ALA A 51 -1.189 12.518 -0.862 1.00 25.41 C ATOM 0 H ALA A 51 -1.134 14.688 0.314 1.00 3.35 H new ATOM 0 HA ALA A 51 -0.597 14.016 -2.270 1.00 32.51 H new ATOM 0 HB1 ALA A 51 -1.167 11.707 -1.590 1.00 25.41 H new ATOM 0 HB2 ALA A 51 -0.237 12.555 -0.332 1.00 25.41 H new ATOM 0 HB3 ALA A 51 -1.995 12.344 -0.149 1.00 25.41 H new ATOM 762 N GLU A 52 -3.845 13.831 -1.697 1.00 50.33 N ATOM 763 CA GLU A 52 -5.146 13.783 -2.355 1.00 4.01 C ATOM 764 C GLU A 52 -5.343 14.996 -3.260 1.00 31.13 C ATOM 765 O GLU A 52 -6.033 14.920 -4.277 1.00 22.53 O ATOM 766 CB GLU A 52 -6.266 13.721 -1.315 1.00 0.24 C ATOM 767 CG GLU A 52 -6.882 15.075 -1.002 1.00 61.43 C ATOM 768 CD GLU A 52 -8.087 14.970 -0.087 1.00 44.23 C ATOM 769 OE1 GLU A 52 -9.028 14.225 -0.428 1.00 74.51 O ATOM 770 OE2 GLU A 52 -8.087 15.635 0.970 1.00 21.42 O ATOM 0 H GLU A 52 -3.888 13.905 -0.681 1.00 50.33 H new ATOM 0 HA GLU A 52 -5.181 12.884 -2.970 1.00 4.01 H new ATOM 0 HB2 GLU A 52 -7.047 13.050 -1.674 1.00 0.24 H new ATOM 0 HB3 GLU A 52 -5.872 13.289 -0.395 1.00 0.24 H new ATOM 0 HG2 GLU A 52 -6.131 15.713 -0.536 1.00 61.43 H new ATOM 0 HG3 GLU A 52 -7.178 15.559 -1.933 1.00 61.43 H new ATOM 777 N TYR A 53 -4.734 16.114 -2.882 1.00 24.15 N ATOM 778 CA TYR A 53 -4.844 17.344 -3.656 1.00 52.31 C ATOM 779 C TYR A 53 -4.044 17.247 -4.951 1.00 64.31 C ATOM 780 O TYR A 53 -4.526 17.615 -6.021 1.00 71.05 O ATOM 781 CB TYR A 53 -4.357 18.537 -2.831 1.00 32.40 C ATOM 782 CG TYR A 53 -5.409 19.100 -1.901 1.00 65.54 C ATOM 783 CD1 TYR A 53 -6.588 18.408 -1.655 1.00 11.24 C ATOM 784 CD2 TYR A 53 -5.222 20.323 -1.269 1.00 25.40 C ATOM 785 CE1 TYR A 53 -7.551 18.919 -0.807 1.00 15.24 C ATOM 786 CE2 TYR A 53 -6.179 20.841 -0.418 1.00 61.33 C ATOM 787 CZ TYR A 53 -7.342 20.136 -0.191 1.00 32.53 C ATOM 788 OH TYR A 53 -8.299 20.647 0.656 1.00 41.33 O ATOM 0 H TYR A 53 -4.159 16.194 -2.044 1.00 24.15 H new ATOM 0 HA TYR A 53 -5.894 17.490 -3.909 1.00 52.31 H new ATOM 0 HB2 TYR A 53 -3.490 18.233 -2.244 1.00 32.40 H new ATOM 0 HB3 TYR A 53 -4.023 19.324 -3.507 1.00 32.40 H new ATOM 0 HD1 TYR A 53 -6.754 17.455 -2.135 1.00 11.24 H new ATOM 0 HD2 TYR A 53 -4.313 20.878 -1.446 1.00 25.40 H new ATOM 0 HE1 TYR A 53 -8.463 18.369 -0.627 1.00 15.24 H new ATOM 0 HE2 TYR A 53 -6.017 21.793 0.067 1.00 61.33 H new ATOM 0 HH TYR A 53 -7.997 21.510 1.008 1.00 41.33 H new ATOM 798 N ALA A 54 -2.817 16.747 -4.844 1.00 62.22 N ATOM 799 CA ALA A 54 -1.949 16.597 -6.006 1.00 0.42 C ATOM 800 C ALA A 54 -2.728 16.080 -7.210 1.00 60.22 C ATOM 801 O ALA A 54 -2.544 16.553 -8.332 1.00 22.31 O ATOM 802 CB ALA A 54 -0.791 15.664 -5.683 1.00 52.40 C ATOM 0 H ALA A 54 -2.402 16.439 -3.965 1.00 62.22 H new ATOM 0 HA ALA A 54 -1.550 17.579 -6.260 1.00 0.42 H new ATOM 0 HB1 ALA A 54 -0.151 15.561 -6.559 1.00 52.40 H new ATOM 0 HB2 ALA A 54 -0.211 16.076 -4.857 1.00 52.40 H new ATOM 0 HB3 ALA A 54 -1.180 14.686 -5.401 1.00 52.40 H new ATOM 808 N LYS A 55 -3.599 15.105 -6.971 1.00 42.12 N ATOM 809 CA LYS A 55 -4.407 14.523 -8.036 1.00 32.32 C ATOM 810 C LYS A 55 -5.572 15.439 -8.398 1.00 31.54 C ATOM 811 O LYS A 55 -5.897 15.612 -9.572 1.00 53.33 O ATOM 812 CB LYS A 55 -4.936 13.151 -7.610 1.00 40.14 C ATOM 813 CG LYS A 55 -3.863 12.232 -7.052 1.00 73.02 C ATOM 814 CD LYS A 55 -4.465 11.119 -6.211 1.00 12.13 C ATOM 815 CE LYS A 55 -5.358 10.211 -7.043 1.00 44.32 C ATOM 816 NZ LYS A 55 -4.578 9.140 -7.724 1.00 35.15 N ATOM 0 H LYS A 55 -3.763 14.701 -6.049 1.00 42.12 H new ATOM 0 HA LYS A 55 -3.774 14.405 -8.916 1.00 32.32 H new ATOM 0 HB2 LYS A 55 -5.713 13.288 -6.857 1.00 40.14 H new ATOM 0 HB3 LYS A 55 -5.405 12.669 -8.468 1.00 40.14 H new ATOM 0 HG2 LYS A 55 -3.290 11.800 -7.872 1.00 73.02 H new ATOM 0 HG3 LYS A 55 -3.166 12.811 -6.446 1.00 73.02 H new ATOM 0 HD2 LYS A 55 -3.666 10.531 -5.759 1.00 12.13 H new ATOM 0 HD3 LYS A 55 -5.044 11.551 -5.395 1.00 12.13 H new ATOM 0 HE2 LYS A 55 -6.114 9.758 -6.402 1.00 44.32 H new ATOM 0 HE3 LYS A 55 -5.887 10.805 -7.788 1.00 44.32 H new ATOM 0 HZ1 LYS A 55 -5.222 8.542 -8.281 1.00 35.15 H new ATOM 0 HZ2 LYS A 55 -3.873 9.572 -8.355 1.00 35.15 H new ATOM 0 HZ3 LYS A 55 -4.094 8.557 -7.012 1.00 35.15 H new ATOM 830 N LYS A 56 -6.196 16.024 -7.381 1.00 75.41 N ATOM 831 CA LYS A 56 -7.324 16.924 -7.591 1.00 44.42 C ATOM 832 C LYS A 56 -6.957 18.035 -8.570 1.00 11.40 C ATOM 833 O LYS A 56 -7.804 18.518 -9.322 1.00 61.13 O ATOM 834 CB LYS A 56 -7.773 17.531 -6.260 1.00 75.31 C ATOM 835 CG LYS A 56 -8.254 16.500 -5.253 1.00 63.34 C ATOM 836 CD LYS A 56 -9.647 16.825 -4.743 1.00 54.43 C ATOM 837 CE LYS A 56 -9.681 18.170 -4.034 1.00 11.40 C ATOM 838 NZ LYS A 56 -11.036 18.483 -3.501 1.00 72.22 N ATOM 0 H LYS A 56 -5.939 15.891 -6.403 1.00 75.41 H new ATOM 0 HA LYS A 56 -8.145 16.346 -8.015 1.00 44.42 H new ATOM 0 HB2 LYS A 56 -6.944 18.090 -5.827 1.00 75.31 H new ATOM 0 HB3 LYS A 56 -8.575 18.245 -6.448 1.00 75.31 H new ATOM 0 HG2 LYS A 56 -8.256 15.513 -5.715 1.00 63.34 H new ATOM 0 HG3 LYS A 56 -7.559 16.458 -4.414 1.00 63.34 H new ATOM 0 HD2 LYS A 56 -10.348 16.835 -5.578 1.00 54.43 H new ATOM 0 HD3 LYS A 56 -9.977 16.043 -4.059 1.00 54.43 H new ATOM 0 HE2 LYS A 56 -8.961 18.167 -3.216 1.00 11.40 H new ATOM 0 HE3 LYS A 56 -9.374 18.953 -4.727 1.00 11.40 H new ATOM 0 HZ1 LYS A 56 -11.017 19.408 -3.025 1.00 72.22 H new ATOM 0 HZ2 LYS A 56 -11.719 18.511 -4.285 1.00 72.22 H new ATOM 0 HZ3 LYS A 56 -11.319 17.749 -2.821 1.00 72.22 H new ATOM 852 N PHE A 57 -5.690 18.436 -8.556 1.00 11.13 N ATOM 853 CA PHE A 57 -5.212 19.490 -9.443 1.00 3.13 C ATOM 854 C PHE A 57 -4.256 18.927 -10.491 1.00 11.04 C ATOM 855 O PHE A 57 -3.042 18.868 -10.293 1.00 34.54 O ATOM 856 CB PHE A 57 -4.513 20.587 -8.636 1.00 71.30 C ATOM 857 CG PHE A 57 -5.450 21.645 -8.126 1.00 65.42 C ATOM 858 CD1 PHE A 57 -6.076 21.501 -6.899 1.00 34.41 C ATOM 859 CD2 PHE A 57 -5.703 22.783 -8.874 1.00 5.31 C ATOM 860 CE1 PHE A 57 -6.939 22.472 -6.428 1.00 10.20 C ATOM 861 CE2 PHE A 57 -6.564 23.759 -8.408 1.00 20.31 C ATOM 862 CZ PHE A 57 -7.182 23.603 -7.183 1.00 12.23 C ATOM 0 H PHE A 57 -4.976 18.047 -7.940 1.00 11.13 H new ATOM 0 HA PHE A 57 -6.074 19.918 -9.955 1.00 3.13 H new ATOM 0 HB2 PHE A 57 -3.997 20.132 -7.791 1.00 71.30 H new ATOM 0 HB3 PHE A 57 -3.752 21.057 -9.259 1.00 71.30 H new ATOM 0 HD1 PHE A 57 -5.888 20.620 -6.304 1.00 34.41 H new ATOM 0 HD2 PHE A 57 -5.222 22.909 -9.833 1.00 5.31 H new ATOM 0 HE1 PHE A 57 -7.423 22.347 -5.471 1.00 10.20 H new ATOM 0 HE2 PHE A 57 -6.753 24.642 -9.001 1.00 20.31 H new ATOM 0 HZ PHE A 57 -7.854 24.364 -6.816 1.00 12.23 H new ATOM 872 N PRO A 58 -4.816 18.503 -11.633 1.00 64.35 N ATOM 873 CA PRO A 58 -4.032 17.937 -12.736 1.00 34.42 C ATOM 874 C PRO A 58 -3.170 18.984 -13.432 1.00 52.01 C ATOM 875 O PRO A 58 -2.394 18.665 -14.331 1.00 65.11 O ATOM 876 CB PRO A 58 -5.101 17.402 -13.692 1.00 71.03 C ATOM 877 CG PRO A 58 -6.311 18.223 -13.406 1.00 43.20 C ATOM 878 CD PRO A 58 -6.256 18.544 -11.938 1.00 23.51 C ATOM 0 HA PRO A 58 -3.331 17.177 -12.390 1.00 34.42 H new ATOM 0 HB2 PRO A 58 -4.790 17.505 -14.731 1.00 71.03 H new ATOM 0 HB3 PRO A 58 -5.292 16.343 -13.520 1.00 71.03 H new ATOM 0 HG2 PRO A 58 -6.315 19.134 -14.005 1.00 43.20 H new ATOM 0 HG3 PRO A 58 -7.221 17.676 -13.652 1.00 43.20 H new ATOM 0 HD2 PRO A 58 -6.684 19.523 -11.725 1.00 23.51 H new ATOM 0 HD3 PRO A 58 -6.813 17.817 -11.347 1.00 23.51 H new ATOM 886 N GLY A 59 -3.312 20.237 -13.010 1.00 33.12 N ATOM 887 CA GLY A 59 -2.540 21.312 -13.604 1.00 4.10 C ATOM 888 C GLY A 59 -1.255 21.589 -12.848 1.00 70.14 C ATOM 889 O GLY A 59 -0.690 22.678 -12.949 1.00 72.42 O ATOM 0 H GLY A 59 -3.948 20.526 -12.267 1.00 33.12 H new ATOM 0 HA2 GLY A 59 -2.303 21.057 -14.637 1.00 4.10 H new ATOM 0 HA3 GLY A 59 -3.145 22.218 -13.630 1.00 4.10 H new ATOM 893 N ALA A 60 -0.793 20.602 -12.088 1.00 31.30 N ATOM 894 CA ALA A 60 0.433 20.744 -11.313 1.00 11.34 C ATOM 895 C ALA A 60 1.142 19.403 -11.155 1.00 13.41 C ATOM 896 O ALA A 60 0.562 18.349 -11.414 1.00 72.12 O ATOM 897 CB ALA A 60 0.128 21.346 -9.949 1.00 32.23 C ATOM 0 H ALA A 60 -1.250 19.695 -11.992 1.00 31.30 H new ATOM 0 HA ALA A 60 1.100 21.416 -11.854 1.00 11.34 H new ATOM 0 HB1 ALA A 60 1.053 21.446 -9.381 1.00 32.23 H new ATOM 0 HB2 ALA A 60 -0.327 22.328 -10.078 1.00 32.23 H new ATOM 0 HB3 ALA A 60 -0.560 20.695 -9.410 1.00 32.23 H new ATOM 903 N VAL A 61 2.400 19.451 -10.729 1.00 20.11 N ATOM 904 CA VAL A 61 3.188 18.239 -10.536 1.00 42.54 C ATOM 905 C VAL A 61 3.183 17.807 -9.074 1.00 40.05 C ATOM 906 O VAL A 61 3.188 16.614 -8.769 1.00 10.44 O ATOM 907 CB VAL A 61 4.645 18.438 -10.996 1.00 54.53 C ATOM 908 CG1 VAL A 61 4.687 18.962 -12.424 1.00 2.13 C ATOM 909 CG2 VAL A 61 5.377 19.380 -10.052 1.00 61.12 C ATOM 0 H VAL A 61 2.895 20.316 -10.511 1.00 20.11 H new ATOM 0 HA VAL A 61 2.726 17.461 -11.143 1.00 42.54 H new ATOM 0 HB VAL A 61 5.150 17.473 -10.974 1.00 54.53 H new ATOM 0 HG11 VAL A 61 5.724 19.097 -12.732 1.00 2.13 H new ATOM 0 HG12 VAL A 61 4.201 18.247 -13.088 1.00 2.13 H new ATOM 0 HG13 VAL A 61 4.166 19.918 -12.476 1.00 2.13 H new ATOM 0 HG21 VAL A 61 6.405 19.509 -10.392 1.00 61.12 H new ATOM 0 HG22 VAL A 61 4.874 20.347 -10.041 1.00 61.12 H new ATOM 0 HG23 VAL A 61 5.378 18.959 -9.046 1.00 61.12 H new ATOM 919 N PHE A 62 3.172 18.784 -8.174 1.00 45.41 N ATOM 920 CA PHE A 62 3.167 18.505 -6.743 1.00 10.22 C ATOM 921 C PHE A 62 4.366 17.647 -6.352 1.00 22.45 C ATOM 922 O PHE A 62 4.952 16.959 -7.189 1.00 41.42 O ATOM 923 CB PHE A 62 1.869 17.800 -6.344 1.00 52.21 C ATOM 924 CG PHE A 62 0.652 18.672 -6.465 1.00 73.12 C ATOM 925 CD1 PHE A 62 0.018 18.834 -7.687 1.00 21.13 C ATOM 926 CD2 PHE A 62 0.141 19.329 -5.357 1.00 72.24 C ATOM 927 CE1 PHE A 62 -1.102 19.636 -7.801 1.00 5.11 C ATOM 928 CE2 PHE A 62 -0.979 20.132 -5.465 1.00 41.14 C ATOM 929 CZ PHE A 62 -1.601 20.285 -6.689 1.00 34.13 C ATOM 0 H PHE A 62 3.166 19.776 -8.410 1.00 45.41 H new ATOM 0 HA PHE A 62 3.234 19.455 -6.213 1.00 10.22 H new ATOM 0 HB2 PHE A 62 1.737 16.917 -6.970 1.00 52.21 H new ATOM 0 HB3 PHE A 62 1.956 17.451 -5.315 1.00 52.21 H new ATOM 0 HD1 PHE A 62 0.403 18.328 -8.560 1.00 21.13 H new ATOM 0 HD2 PHE A 62 0.623 19.212 -4.398 1.00 72.24 H new ATOM 0 HE1 PHE A 62 -1.586 19.755 -8.759 1.00 5.11 H new ATOM 0 HE2 PHE A 62 -1.367 20.639 -4.594 1.00 41.14 H new ATOM 0 HZ PHE A 62 -2.476 20.911 -6.776 1.00 34.13 H new ATOM 939 N LEU A 63 4.726 17.692 -5.074 1.00 23.53 N ATOM 940 CA LEU A 63 5.856 16.919 -4.570 1.00 22.54 C ATOM 941 C LEU A 63 6.215 17.342 -3.149 1.00 32.43 C ATOM 942 O LEU A 63 6.012 18.493 -2.762 1.00 32.31 O ATOM 943 CB LEU A 63 7.068 17.092 -5.487 1.00 0.22 C ATOM 944 CG LEU A 63 8.432 16.806 -4.858 1.00 61.21 C ATOM 945 CD1 LEU A 63 8.899 15.402 -5.212 1.00 10.40 C ATOM 946 CD2 LEU A 63 9.454 17.839 -5.308 1.00 44.32 C ATOM 0 H LEU A 63 4.252 18.255 -4.368 1.00 23.53 H new ATOM 0 HA LEU A 63 5.567 15.868 -4.555 1.00 22.54 H new ATOM 0 HB2 LEU A 63 6.943 16.436 -6.349 1.00 0.22 H new ATOM 0 HB3 LEU A 63 7.071 18.115 -5.863 1.00 0.22 H new ATOM 0 HG LEU A 63 8.332 16.871 -3.775 1.00 61.21 H new ATOM 0 HD11 LEU A 63 9.871 15.216 -4.756 1.00 10.40 H new ATOM 0 HD12 LEU A 63 8.178 14.674 -4.839 1.00 10.40 H new ATOM 0 HD13 LEU A 63 8.982 15.308 -6.295 1.00 10.40 H new ATOM 0 HD21 LEU A 63 10.419 17.620 -4.850 1.00 44.32 H new ATOM 0 HD22 LEU A 63 9.551 17.806 -6.393 1.00 44.32 H new ATOM 0 HD23 LEU A 63 9.125 18.833 -5.003 1.00 44.32 H new ATOM 958 N LYS A 64 6.751 16.404 -2.375 1.00 61.32 N ATOM 959 CA LYS A 64 7.142 16.679 -0.998 1.00 21.33 C ATOM 960 C LYS A 64 8.644 16.487 -0.810 1.00 34.33 C ATOM 961 O LYS A 64 9.180 15.410 -1.071 1.00 75.34 O ATOM 962 CB LYS A 64 6.376 15.766 -0.037 1.00 4.52 C ATOM 963 CG LYS A 64 7.213 15.275 1.132 1.00 71.11 C ATOM 964 CD LYS A 64 6.490 14.196 1.920 1.00 31.31 C ATOM 965 CE LYS A 64 5.120 13.898 1.331 1.00 53.23 C ATOM 966 NZ LYS A 64 4.325 12.991 2.205 1.00 51.54 N ATOM 0 H LYS A 64 6.924 15.446 -2.679 1.00 61.32 H new ATOM 0 HA LYS A 64 6.896 17.718 -0.777 1.00 21.33 H new ATOM 0 HB2 LYS A 64 5.509 16.303 0.348 1.00 4.52 H new ATOM 0 HB3 LYS A 64 5.999 14.906 -0.590 1.00 4.52 H new ATOM 0 HG2 LYS A 64 8.161 14.884 0.763 1.00 71.11 H new ATOM 0 HG3 LYS A 64 7.448 16.112 1.790 1.00 71.11 H new ATOM 0 HD2 LYS A 64 7.090 13.286 1.927 1.00 31.31 H new ATOM 0 HD3 LYS A 64 6.380 14.513 2.957 1.00 31.31 H new ATOM 0 HE2 LYS A 64 4.576 14.831 1.186 1.00 53.23 H new ATOM 0 HE3 LYS A 64 5.239 13.443 0.348 1.00 53.23 H new ATOM 0 HZ1 LYS A 64 3.398 12.812 1.768 1.00 51.54 H new ATOM 0 HZ2 LYS A 64 4.832 12.090 2.323 1.00 51.54 H new ATOM 0 HZ3 LYS A 64 4.189 13.436 3.135 1.00 51.54 H new ATOM 980 N VAL A 65 9.317 17.538 -0.353 1.00 65.32 N ATOM 981 CA VAL A 65 10.757 17.484 -0.128 1.00 31.34 C ATOM 982 C VAL A 65 11.079 17.451 1.362 1.00 32.32 C ATOM 983 O VAL A 65 10.245 17.806 2.196 1.00 63.41 O ATOM 984 CB VAL A 65 11.471 18.688 -0.769 1.00 62.14 C ATOM 985 CG1 VAL A 65 12.951 18.680 -0.419 1.00 23.01 C ATOM 986 CG2 VAL A 65 11.272 18.683 -2.278 1.00 10.25 C ATOM 0 H VAL A 65 8.889 18.437 -0.131 1.00 65.32 H new ATOM 0 HA VAL A 65 11.116 16.567 -0.595 1.00 31.34 H new ATOM 0 HB VAL A 65 11.033 19.603 -0.370 1.00 62.14 H new ATOM 0 HG11 VAL A 65 13.439 19.538 -0.881 1.00 23.01 H new ATOM 0 HG12 VAL A 65 13.069 18.734 0.663 1.00 23.01 H new ATOM 0 HG13 VAL A 65 13.407 17.761 -0.788 1.00 23.01 H new ATOM 0 HG21 VAL A 65 11.783 19.541 -2.715 1.00 10.25 H new ATOM 0 HG22 VAL A 65 11.683 17.764 -2.696 1.00 10.25 H new ATOM 0 HG23 VAL A 65 10.207 18.741 -2.505 1.00 10.25 H new ATOM 996 N ASP A 66 12.293 17.023 1.690 1.00 31.10 N ATOM 997 CA ASP A 66 12.727 16.945 3.080 1.00 34.12 C ATOM 998 C ASP A 66 13.977 17.789 3.307 1.00 21.45 C ATOM 999 O ASP A 66 15.083 17.389 2.943 1.00 41.11 O ATOM 1000 CB ASP A 66 12.999 15.491 3.471 1.00 50.51 C ATOM 1001 CG ASP A 66 12.741 15.229 4.942 1.00 55.24 C ATOM 1002 OD1 ASP A 66 11.946 15.978 5.547 1.00 53.34 O ATOM 1003 OD2 ASP A 66 13.334 14.275 5.488 1.00 52.32 O ATOM 0 H ASP A 66 12.994 16.725 1.012 1.00 31.10 H new ATOM 0 HA ASP A 66 11.927 17.338 3.708 1.00 34.12 H new ATOM 0 HB2 ASP A 66 12.370 14.833 2.872 1.00 50.51 H new ATOM 0 HB3 ASP A 66 14.034 15.242 3.237 1.00 50.51 H new ATOM 1008 N VAL A 67 13.794 18.958 3.911 1.00 11.45 N ATOM 1009 CA VAL A 67 14.907 19.859 4.187 1.00 32.05 C ATOM 1010 C VAL A 67 15.747 19.352 5.354 1.00 2.53 C ATOM 1011 O VAL A 67 16.141 20.123 6.229 1.00 5.44 O ATOM 1012 CB VAL A 67 14.412 21.282 4.506 1.00 54.34 C ATOM 1013 CG1 VAL A 67 13.356 21.717 3.501 1.00 53.52 C ATOM 1014 CG2 VAL A 67 13.869 21.352 5.925 1.00 5.52 C ATOM 0 H VAL A 67 12.885 19.304 4.219 1.00 11.45 H new ATOM 0 HA VAL A 67 15.520 19.889 3.287 1.00 32.05 H new ATOM 0 HB VAL A 67 15.256 21.967 4.431 1.00 54.34 H new ATOM 0 HG11 VAL A 67 13.018 22.725 3.742 1.00 53.52 H new ATOM 0 HG12 VAL A 67 13.783 21.707 2.498 1.00 53.52 H new ATOM 0 HG13 VAL A 67 12.510 21.031 3.542 1.00 53.52 H new ATOM 0 HG21 VAL A 67 13.524 22.365 6.133 1.00 5.52 H new ATOM 0 HG22 VAL A 67 13.037 20.656 6.031 1.00 5.52 H new ATOM 0 HG23 VAL A 67 14.657 21.085 6.630 1.00 5.52 H new ATOM 1024 N ASP A 68 16.018 18.052 5.360 1.00 2.02 N ATOM 1025 CA ASP A 68 16.814 17.442 6.419 1.00 72.40 C ATOM 1026 C ASP A 68 17.876 16.515 5.835 1.00 32.02 C ATOM 1027 O ASP A 68 18.863 16.194 6.496 1.00 61.23 O ATOM 1028 CB ASP A 68 15.913 16.664 7.379 1.00 33.24 C ATOM 1029 CG ASP A 68 16.551 16.467 8.740 1.00 33.24 C ATOM 1030 OD1 ASP A 68 17.385 15.548 8.877 1.00 74.51 O ATOM 1031 OD2 ASP A 68 16.216 17.231 9.670 1.00 55.45 O ATOM 0 H ASP A 68 15.698 17.400 4.644 1.00 2.02 H new ATOM 0 HA ASP A 68 17.315 18.239 6.968 1.00 72.40 H new ATOM 0 HB2 ASP A 68 14.968 17.195 7.497 1.00 33.24 H new ATOM 0 HB3 ASP A 68 15.680 15.691 6.946 1.00 33.24 H new ATOM 1036 N GLU A 69 17.664 16.089 4.594 1.00 64.41 N ATOM 1037 CA GLU A 69 18.603 15.197 3.923 1.00 42.21 C ATOM 1038 C GLU A 69 19.064 15.792 2.595 1.00 75.41 C ATOM 1039 O GLU A 69 20.179 15.535 2.141 1.00 44.55 O ATOM 1040 CB GLU A 69 17.961 13.829 3.686 1.00 21.43 C ATOM 1041 CG GLU A 69 16.783 13.867 2.727 1.00 20.45 C ATOM 1042 CD GLU A 69 17.028 13.055 1.470 1.00 34.43 C ATOM 1043 OE1 GLU A 69 17.446 11.884 1.593 1.00 55.11 O ATOM 1044 OE2 GLU A 69 16.802 13.589 0.365 1.00 55.12 O ATOM 0 H GLU A 69 16.852 16.346 4.033 1.00 64.41 H new ATOM 0 HA GLU A 69 19.473 15.075 4.568 1.00 42.21 H new ATOM 0 HB2 GLU A 69 18.715 13.146 3.295 1.00 21.43 H new ATOM 0 HB3 GLU A 69 17.628 13.423 4.641 1.00 21.43 H new ATOM 0 HG2 GLU A 69 15.895 13.488 3.233 1.00 20.45 H new ATOM 0 HG3 GLU A 69 16.576 14.901 2.452 1.00 20.45 H new ATOM 1051 N LEU A 70 18.196 16.586 1.977 1.00 24.01 N ATOM 1052 CA LEU A 70 18.512 17.217 0.701 1.00 43.45 C ATOM 1053 C LEU A 70 18.279 18.723 0.766 1.00 44.45 C ATOM 1054 O LEU A 70 18.103 19.380 -0.261 1.00 14.43 O ATOM 1055 CB LEU A 70 17.665 16.606 -0.417 1.00 13.53 C ATOM 1056 CG LEU A 70 16.269 17.202 -0.602 1.00 54.22 C ATOM 1057 CD1 LEU A 70 15.750 16.920 -2.003 1.00 74.44 C ATOM 1058 CD2 LEU A 70 15.311 16.652 0.444 1.00 13.14 C ATOM 0 H LEU A 70 17.269 16.808 2.339 1.00 24.01 H new ATOM 0 HA LEU A 70 19.566 17.040 0.488 1.00 43.45 H new ATOM 0 HB2 LEU A 70 18.209 16.708 -1.356 1.00 13.53 H new ATOM 0 HB3 LEU A 70 17.560 15.538 -0.224 1.00 13.53 H new ATOM 0 HG LEU A 70 16.336 18.282 -0.472 1.00 54.22 H new ATOM 0 HD11 LEU A 70 14.755 17.352 -2.116 1.00 74.44 H new ATOM 0 HD12 LEU A 70 16.424 17.363 -2.737 1.00 74.44 H new ATOM 0 HD13 LEU A 70 15.698 15.843 -2.162 1.00 74.44 H new ATOM 0 HD21 LEU A 70 14.323 17.087 0.297 1.00 13.14 H new ATOM 0 HD22 LEU A 70 15.248 15.568 0.346 1.00 13.14 H new ATOM 0 HD23 LEU A 70 15.675 16.906 1.440 1.00 13.14 H new ATOM 1070 N LYS A 71 18.283 19.266 1.979 1.00 74.54 N ATOM 1071 CA LYS A 71 18.075 20.695 2.179 1.00 24.20 C ATOM 1072 C LYS A 71 18.626 21.495 1.003 1.00 73.45 C ATOM 1073 O LYS A 71 18.060 22.518 0.618 1.00 63.52 O ATOM 1074 CB LYS A 71 18.745 21.151 3.477 1.00 10.03 C ATOM 1075 CG LYS A 71 19.735 20.145 4.037 1.00 21.53 C ATOM 1076 CD LYS A 71 20.980 20.828 4.578 1.00 51.25 C ATOM 1077 CE LYS A 71 22.010 21.058 3.482 1.00 73.20 C ATOM 1078 NZ LYS A 71 23.354 20.545 3.868 1.00 54.42 N ATOM 0 H LYS A 71 18.428 18.737 2.839 1.00 74.54 H new ATOM 0 HA LYS A 71 17.002 20.875 2.247 1.00 24.20 H new ATOM 0 HB2 LYS A 71 19.261 22.094 3.298 1.00 10.03 H new ATOM 0 HB3 LYS A 71 17.976 21.345 4.224 1.00 10.03 H new ATOM 0 HG2 LYS A 71 19.260 19.570 4.832 1.00 21.53 H new ATOM 0 HG3 LYS A 71 20.017 19.438 3.257 1.00 21.53 H new ATOM 0 HD2 LYS A 71 20.706 21.782 5.028 1.00 51.25 H new ATOM 0 HD3 LYS A 71 21.417 20.217 5.368 1.00 51.25 H new ATOM 0 HE2 LYS A 71 21.682 20.565 2.566 1.00 73.20 H new ATOM 0 HE3 LYS A 71 22.077 22.124 3.264 1.00 73.20 H new ATOM 0 HZ1 LYS A 71 24.028 20.720 3.095 1.00 54.42 H new ATOM 0 HZ2 LYS A 71 23.678 21.033 4.727 1.00 54.42 H new ATOM 0 HZ3 LYS A 71 23.296 19.523 4.051 1.00 54.42 H new ATOM 1092 N GLU A 72 19.730 21.020 0.435 1.00 4.22 N ATOM 1093 CA GLU A 72 20.355 21.692 -0.698 1.00 44.20 C ATOM 1094 C GLU A 72 19.303 22.331 -1.600 1.00 30.31 C ATOM 1095 O GLU A 72 19.555 23.351 -2.240 1.00 52.45 O ATOM 1096 CB GLU A 72 21.201 20.703 -1.503 1.00 75.12 C ATOM 1097 CG GLU A 72 20.382 19.805 -2.416 1.00 21.25 C ATOM 1098 CD GLU A 72 21.086 18.500 -2.734 1.00 34.34 C ATOM 1099 OE1 GLU A 72 22.334 18.493 -2.769 1.00 21.23 O ATOM 1100 OE2 GLU A 72 20.389 17.486 -2.948 1.00 14.15 O ATOM 0 H GLU A 72 20.210 20.173 0.741 1.00 4.22 H new ATOM 0 HA GLU A 72 21.001 22.479 -0.309 1.00 44.20 H new ATOM 0 HB2 GLU A 72 21.921 21.259 -2.104 1.00 75.12 H new ATOM 0 HB3 GLU A 72 21.773 20.082 -0.814 1.00 75.12 H new ATOM 0 HG2 GLU A 72 19.423 19.591 -1.944 1.00 21.25 H new ATOM 0 HG3 GLU A 72 20.169 20.334 -3.345 1.00 21.25 H new ATOM 1107 N VAL A 73 18.122 21.721 -1.645 1.00 44.41 N ATOM 1108 CA VAL A 73 17.031 22.229 -2.467 1.00 51.54 C ATOM 1109 C VAL A 73 16.378 23.447 -1.823 1.00 44.52 C ATOM 1110 O VAL A 73 16.174 24.472 -2.474 1.00 23.21 O ATOM 1111 CB VAL A 73 15.957 21.151 -2.704 1.00 23.30 C ATOM 1112 CG1 VAL A 73 14.854 21.683 -3.606 1.00 45.31 C ATOM 1113 CG2 VAL A 73 16.583 19.897 -3.297 1.00 5.43 C ATOM 0 H VAL A 73 17.897 20.875 -1.122 1.00 44.41 H new ATOM 0 HA VAL A 73 17.465 22.516 -3.425 1.00 51.54 H new ATOM 0 HB VAL A 73 15.513 20.889 -1.744 1.00 23.30 H new ATOM 0 HG11 VAL A 73 14.105 20.907 -3.761 1.00 45.31 H new ATOM 0 HG12 VAL A 73 14.387 22.549 -3.137 1.00 45.31 H new ATOM 0 HG13 VAL A 73 15.279 21.975 -4.566 1.00 45.31 H new ATOM 0 HG21 VAL A 73 15.810 19.146 -3.458 1.00 5.43 H new ATOM 0 HG22 VAL A 73 17.055 20.141 -4.248 1.00 5.43 H new ATOM 0 HG23 VAL A 73 17.333 19.505 -2.610 1.00 5.43 H new ATOM 1123 N ALA A 74 16.054 23.329 -0.540 1.00 33.40 N ATOM 1124 CA ALA A 74 15.427 24.421 0.194 1.00 74.14 C ATOM 1125 C ALA A 74 16.323 25.654 0.215 1.00 44.11 C ATOM 1126 O ALA A 74 15.838 26.785 0.229 1.00 22.32 O ATOM 1127 CB ALA A 74 15.095 23.982 1.612 1.00 4.24 C ATOM 0 H ALA A 74 16.215 22.487 0.013 1.00 33.40 H new ATOM 0 HA ALA A 74 14.502 24.686 -0.318 1.00 74.14 H new ATOM 0 HB1 ALA A 74 14.627 24.808 2.148 1.00 4.24 H new ATOM 0 HB2 ALA A 74 14.409 23.135 1.580 1.00 4.24 H new ATOM 0 HB3 ALA A 74 16.010 23.688 2.126 1.00 4.24 H new ATOM 1133 N GLU A 75 17.633 25.428 0.218 1.00 63.43 N ATOM 1134 CA GLU A 75 18.597 26.522 0.239 1.00 70.20 C ATOM 1135 C GLU A 75 18.463 27.389 -1.009 1.00 50.14 C ATOM 1136 O GLU A 75 18.736 28.589 -0.978 1.00 50.31 O ATOM 1137 CB GLU A 75 20.022 25.974 0.342 1.00 31.02 C ATOM 1138 CG GLU A 75 20.181 24.885 1.390 1.00 50.01 C ATOM 1139 CD GLU A 75 21.251 25.212 2.414 1.00 54.23 C ATOM 1140 OE1 GLU A 75 21.110 26.240 3.109 1.00 4.03 O ATOM 1141 OE2 GLU A 75 22.227 24.441 2.519 1.00 2.53 O ATOM 0 H GLU A 75 18.051 24.498 0.206 1.00 63.43 H new ATOM 0 HA GLU A 75 18.389 27.139 1.113 1.00 70.20 H new ATOM 0 HB2 GLU A 75 20.321 25.579 -0.629 1.00 31.02 H new ATOM 0 HB3 GLU A 75 20.701 26.794 0.576 1.00 31.02 H new ATOM 0 HG2 GLU A 75 19.229 24.735 1.900 1.00 50.01 H new ATOM 0 HG3 GLU A 75 20.430 23.945 0.897 1.00 50.01 H new ATOM 1148 N LYS A 76 18.041 26.773 -2.108 1.00 62.33 N ATOM 1149 CA LYS A 76 17.870 27.486 -3.368 1.00 54.13 C ATOM 1150 C LYS A 76 16.620 28.360 -3.333 1.00 11.01 C ATOM 1151 O LYS A 76 16.594 29.447 -3.910 1.00 44.24 O ATOM 1152 CB LYS A 76 17.779 26.495 -4.531 1.00 1.10 C ATOM 1153 CG LYS A 76 16.354 26.159 -4.934 1.00 72.01 C ATOM 1154 CD LYS A 76 16.281 24.832 -5.671 1.00 51.33 C ATOM 1155 CE LYS A 76 16.032 25.034 -7.158 1.00 63.13 C ATOM 1156 NZ LYS A 76 16.924 26.079 -7.733 1.00 64.51 N ATOM 0 H LYS A 76 17.811 25.780 -2.151 1.00 62.33 H new ATOM 0 HA LYS A 76 18.738 28.129 -3.513 1.00 54.13 H new ATOM 0 HB2 LYS A 76 18.303 26.909 -5.392 1.00 1.10 H new ATOM 0 HB3 LYS A 76 18.296 25.576 -4.255 1.00 1.10 H new ATOM 0 HG2 LYS A 76 15.724 26.118 -4.046 1.00 72.01 H new ATOM 0 HG3 LYS A 76 15.958 26.951 -5.569 1.00 72.01 H new ATOM 0 HD2 LYS A 76 17.212 24.283 -5.528 1.00 51.33 H new ATOM 0 HD3 LYS A 76 15.483 24.222 -5.247 1.00 51.33 H new ATOM 0 HE2 LYS A 76 16.190 24.092 -7.684 1.00 63.13 H new ATOM 0 HE3 LYS A 76 14.991 25.317 -7.317 1.00 63.13 H new ATOM 0 HZ1 LYS A 76 17.018 25.930 -8.758 1.00 64.51 H new ATOM 0 HZ2 LYS A 76 16.516 27.019 -7.556 1.00 64.51 H new ATOM 0 HZ3 LYS A 76 17.862 26.019 -7.287 1.00 64.51 H new ATOM 1170 N TYR A 77 15.586 27.879 -2.651 1.00 64.11 N ATOM 1171 CA TYR A 77 14.333 28.616 -2.541 1.00 43.24 C ATOM 1172 C TYR A 77 14.300 29.447 -1.262 1.00 43.02 C ATOM 1173 O TYR A 77 13.443 30.313 -1.093 1.00 70.04 O ATOM 1174 CB TYR A 77 13.146 27.652 -2.567 1.00 41.14 C ATOM 1175 CG TYR A 77 13.070 26.819 -3.827 1.00 53.51 C ATOM 1176 CD1 TYR A 77 13.411 27.358 -5.061 1.00 64.04 C ATOM 1177 CD2 TYR A 77 12.657 25.493 -3.783 1.00 14.53 C ATOM 1178 CE1 TYR A 77 13.342 26.601 -6.215 1.00 3.02 C ATOM 1179 CE2 TYR A 77 12.586 24.728 -4.931 1.00 11.51 C ATOM 1180 CZ TYR A 77 12.929 25.287 -6.145 1.00 23.15 C ATOM 1181 OH TYR A 77 12.860 24.529 -7.291 1.00 45.11 O ATOM 0 H TYR A 77 15.591 26.982 -2.166 1.00 64.11 H new ATOM 0 HA TYR A 77 14.262 29.292 -3.393 1.00 43.24 H new ATOM 0 HB2 TYR A 77 13.209 26.987 -1.705 1.00 41.14 H new ATOM 0 HB3 TYR A 77 12.223 28.222 -2.462 1.00 41.14 H new ATOM 0 HD1 TYR A 77 13.736 28.386 -5.120 1.00 64.04 H new ATOM 0 HD2 TYR A 77 12.387 25.053 -2.835 1.00 14.53 H new ATOM 0 HE1 TYR A 77 13.610 27.036 -7.167 1.00 3.02 H new ATOM 0 HE2 TYR A 77 12.264 23.698 -4.879 1.00 11.51 H new ATOM 0 HH TYR A 77 12.300 23.741 -7.129 1.00 45.11 H new ATOM 1191 N ASN A 78 15.242 29.176 -0.364 1.00 14.01 N ATOM 1192 CA ASN A 78 15.322 29.898 0.901 1.00 73.22 C ATOM 1193 C ASN A 78 14.131 29.563 1.794 1.00 1.33 C ATOM 1194 O ASN A 78 13.216 30.371 1.956 1.00 3.13 O ATOM 1195 CB ASN A 78 15.377 31.406 0.649 1.00 74.13 C ATOM 1196 CG ASN A 78 15.596 32.198 1.923 1.00 31.44 C ATOM 1197 OD1 ASN A 78 16.503 31.720 2.767 1.00 32.03 O flip ATOM 1198 ND2 ASN A 78 14.957 33.226 2.146 1.00 5.53 N flip ATOM 0 H ASN A 78 15.960 28.462 -0.489 1.00 14.01 H new ATOM 0 HA ASN A 78 16.234 29.589 1.411 1.00 73.22 H new ATOM 0 HB2 ASN A 78 16.181 31.625 -0.054 1.00 74.13 H new ATOM 0 HB3 ASN A 78 14.447 31.727 0.180 1.00 74.13 H new ATOM 0 HD21 ASN A 78 14.270 33.556 1.469 1.00 5.53 H new ATOM 0 HD22 ASN A 78 15.115 33.748 3.008 1.00 5.53 H new ATOM 1246 N MET A 82 10.906 23.993 7.059 1.00 71.41 N ATOM 1247 CA MET A 82 9.476 24.053 7.341 1.00 44.30 C ATOM 1248 C MET A 82 8.674 23.388 6.227 1.00 12.23 C ATOM 1249 O MET A 82 9.158 23.194 5.112 1.00 75.31 O ATOM 1250 CB MET A 82 9.029 25.507 7.510 1.00 64.33 C ATOM 1251 CG MET A 82 8.468 26.121 6.238 1.00 54.21 C ATOM 1252 SD MET A 82 8.921 27.856 6.045 1.00 22.44 S ATOM 1253 CE MET A 82 10.322 27.718 4.937 1.00 14.31 C ATOM 0 HA MET A 82 9.291 23.513 8.270 1.00 44.30 H new ATOM 0 HB2 MET A 82 8.272 25.557 8.293 1.00 64.33 H new ATOM 0 HB3 MET A 82 9.877 26.102 7.848 1.00 64.33 H new ATOM 0 HG2 MET A 82 8.829 25.558 5.378 1.00 54.21 H new ATOM 0 HG3 MET A 82 7.382 26.032 6.245 1.00 54.21 H new ATOM 0 HE1 MET A 82 11.049 28.495 5.172 1.00 14.31 H new ATOM 0 HE2 MET A 82 10.786 26.739 5.057 1.00 14.31 H new ATOM 0 HE3 MET A 82 9.985 27.836 3.907 1.00 14.31 H new ATOM 1263 N PRO A 83 7.418 23.030 6.534 1.00 1.31 N ATOM 1264 CA PRO A 83 6.522 22.382 5.572 1.00 63.21 C ATOM 1265 C PRO A 83 6.085 23.327 4.459 1.00 51.54 C ATOM 1266 O PRO A 83 5.076 23.095 3.792 1.00 35.03 O ATOM 1267 CB PRO A 83 5.321 21.971 6.427 1.00 61.41 C ATOM 1268 CG PRO A 83 5.330 22.921 7.574 1.00 14.11 C ATOM 1269 CD PRO A 83 6.776 23.232 7.844 1.00 71.41 C ATOM 0 HA PRO A 83 7.005 21.548 5.063 1.00 63.21 H new ATOM 0 HB2 PRO A 83 4.391 22.040 5.863 1.00 61.41 H new ATOM 0 HB3 PRO A 83 5.411 20.939 6.767 1.00 61.41 H new ATOM 0 HG2 PRO A 83 4.774 23.827 7.334 1.00 14.11 H new ATOM 0 HG3 PRO A 83 4.856 22.479 8.450 1.00 14.11 H new ATOM 0 HD2 PRO A 83 6.907 24.253 8.203 1.00 71.41 H new ATOM 0 HD3 PRO A 83 7.194 22.571 8.603 1.00 71.41 H new ATOM 1277 N THR A 84 6.851 24.396 4.261 1.00 70.13 N ATOM 1278 CA THR A 84 6.542 25.377 3.228 1.00 1.24 C ATOM 1279 C THR A 84 6.224 24.698 1.901 1.00 21.24 C ATOM 1280 O THR A 84 7.005 23.885 1.406 1.00 41.34 O ATOM 1281 CB THR A 84 7.709 26.361 3.022 1.00 50.33 C ATOM 1282 OG1 THR A 84 7.431 27.598 3.688 1.00 31.21 O ATOM 1283 CG2 THR A 84 7.944 26.619 1.541 1.00 73.01 C ATOM 0 H THR A 84 7.690 24.604 4.803 1.00 70.13 H new ATOM 0 HA THR A 84 5.666 25.929 3.568 1.00 1.24 H new ATOM 0 HB THR A 84 8.609 25.916 3.445 1.00 50.33 H new ATOM 0 HG1 THR A 84 7.591 27.495 4.649 1.00 31.21 H new ATOM 0 HG21 THR A 84 8.773 27.317 1.420 1.00 73.01 H new ATOM 0 HG22 THR A 84 8.184 25.680 1.042 1.00 73.01 H new ATOM 0 HG23 THR A 84 7.044 27.045 1.099 1.00 73.01 H new ATOM 1291 N PHE A 85 5.073 25.036 1.330 1.00 60.22 N ATOM 1292 CA PHE A 85 4.652 24.458 0.059 1.00 34.41 C ATOM 1293 C PHE A 85 5.240 25.236 -1.114 1.00 72.22 C ATOM 1294 O PHE A 85 4.560 25.489 -2.110 1.00 33.24 O ATOM 1295 CB PHE A 85 3.125 24.444 -0.038 1.00 33.43 C ATOM 1296 CG PHE A 85 2.538 23.061 -0.060 1.00 0.15 C ATOM 1297 CD1 PHE A 85 2.792 22.203 -1.117 1.00 44.03 C ATOM 1298 CD2 PHE A 85 1.733 22.619 0.978 1.00 53.42 C ATOM 1299 CE1 PHE A 85 2.253 20.931 -1.140 1.00 61.31 C ATOM 1300 CE2 PHE A 85 1.191 21.348 0.961 1.00 71.14 C ATOM 1301 CZ PHE A 85 1.452 20.502 -0.099 1.00 45.24 C ATOM 0 H PHE A 85 4.415 25.707 1.727 1.00 60.22 H new ATOM 0 HA PHE A 85 5.022 23.434 0.014 1.00 34.41 H new ATOM 0 HB2 PHE A 85 2.710 24.993 0.808 1.00 33.43 H new ATOM 0 HB3 PHE A 85 2.821 24.973 -0.941 1.00 33.43 H new ATOM 0 HD1 PHE A 85 3.419 22.532 -1.933 1.00 44.03 H new ATOM 0 HD2 PHE A 85 1.527 23.276 1.810 1.00 53.42 H new ATOM 0 HE1 PHE A 85 2.458 20.272 -1.971 1.00 61.31 H new ATOM 0 HE2 PHE A 85 0.564 21.017 1.776 1.00 71.14 H new ATOM 0 HZ PHE A 85 1.031 19.508 -0.114 1.00 45.24 H new ATOM 1311 N LEU A 86 6.507 25.613 -0.990 1.00 3.42 N ATOM 1312 CA LEU A 86 7.189 26.364 -2.039 1.00 74.21 C ATOM 1313 C LEU A 86 6.651 25.986 -3.416 1.00 31.15 C ATOM 1314 O LEU A 86 6.313 24.829 -3.665 1.00 61.44 O ATOM 1315 CB LEU A 86 8.696 26.108 -1.980 1.00 34.12 C ATOM 1316 CG LEU A 86 9.593 27.321 -2.230 1.00 74.32 C ATOM 1317 CD1 LEU A 86 8.996 28.212 -3.308 1.00 43.14 C ATOM 1318 CD2 LEU A 86 9.801 28.105 -0.943 1.00 25.53 C ATOM 0 H LEU A 86 7.084 25.411 -0.173 1.00 3.42 H new ATOM 0 HA LEU A 86 7.000 27.425 -1.874 1.00 74.21 H new ATOM 0 HB2 LEU A 86 8.937 25.699 -0.999 1.00 34.12 H new ATOM 0 HB3 LEU A 86 8.943 25.341 -2.714 1.00 34.12 H new ATOM 0 HG LEU A 86 10.564 26.966 -2.576 1.00 74.32 H new ATOM 0 HD11 LEU A 86 9.648 29.070 -3.473 1.00 43.14 H new ATOM 0 HD12 LEU A 86 8.899 27.647 -4.235 1.00 43.14 H new ATOM 0 HD13 LEU A 86 8.013 28.559 -2.990 1.00 43.14 H new ATOM 0 HD21 LEU A 86 10.442 28.964 -1.140 1.00 25.53 H new ATOM 0 HD22 LEU A 86 8.838 28.449 -0.567 1.00 25.53 H new ATOM 0 HD23 LEU A 86 10.273 27.464 -0.199 1.00 25.53 H new ATOM 1330 N PHE A 87 6.576 26.969 -4.306 1.00 41.22 N ATOM 1331 CA PHE A 87 6.081 26.740 -5.658 1.00 72.15 C ATOM 1332 C PHE A 87 7.133 27.122 -6.695 1.00 62.23 C ATOM 1333 O PHE A 87 8.030 27.920 -6.420 1.00 72.31 O ATOM 1334 CB PHE A 87 4.799 27.541 -5.898 1.00 20.54 C ATOM 1335 CG PHE A 87 3.614 27.016 -5.139 1.00 30.54 C ATOM 1336 CD1 PHE A 87 3.573 27.087 -3.755 1.00 64.05 C ATOM 1337 CD2 PHE A 87 2.541 26.450 -5.808 1.00 51.13 C ATOM 1338 CE1 PHE A 87 2.484 26.605 -3.054 1.00 2.21 C ATOM 1339 CE2 PHE A 87 1.449 25.967 -5.112 1.00 51.02 C ATOM 1340 CZ PHE A 87 1.421 26.044 -3.733 1.00 61.54 C ATOM 0 H PHE A 87 6.852 27.932 -4.115 1.00 41.22 H new ATOM 0 HA PHE A 87 5.862 25.677 -5.762 1.00 72.15 H new ATOM 0 HB2 PHE A 87 4.971 28.580 -5.615 1.00 20.54 H new ATOM 0 HB3 PHE A 87 4.570 27.534 -6.964 1.00 20.54 H new ATOM 0 HD1 PHE A 87 4.402 27.524 -3.218 1.00 64.05 H new ATOM 0 HD2 PHE A 87 2.558 26.385 -6.886 1.00 51.13 H new ATOM 0 HE1 PHE A 87 2.465 26.667 -1.976 1.00 2.21 H new ATOM 0 HE2 PHE A 87 0.618 25.530 -5.646 1.00 51.02 H new ATOM 0 HZ PHE A 87 0.569 25.666 -3.187 1.00 61.54 H new ATOM 1350 N ILE A 88 7.017 26.546 -7.887 1.00 61.01 N ATOM 1351 CA ILE A 88 7.957 26.826 -8.965 1.00 64.11 C ATOM 1352 C ILE A 88 7.248 26.877 -10.314 1.00 20.01 C ATOM 1353 O ILE A 88 7.311 25.929 -11.098 1.00 10.44 O ATOM 1354 CB ILE A 88 9.076 25.769 -9.025 1.00 74.45 C ATOM 1355 CG1 ILE A 88 9.608 25.477 -7.621 1.00 33.41 C ATOM 1356 CG2 ILE A 88 10.200 26.238 -9.937 1.00 11.24 C ATOM 1357 CD1 ILE A 88 10.582 26.518 -7.115 1.00 73.42 C ATOM 0 H ILE A 88 6.281 25.883 -8.130 1.00 61.01 H new ATOM 0 HA ILE A 88 8.399 27.800 -8.753 1.00 64.11 H new ATOM 0 HB ILE A 88 8.663 24.847 -9.435 1.00 74.45 H new ATOM 0 HG12 ILE A 88 8.768 25.411 -6.930 1.00 33.41 H new ATOM 0 HG13 ILE A 88 10.098 24.503 -7.622 1.00 33.41 H new ATOM 0 HG21 ILE A 88 10.983 25.480 -9.969 1.00 11.24 H new ATOM 0 HG22 ILE A 88 9.810 26.399 -10.942 1.00 11.24 H new ATOM 0 HG23 ILE A 88 10.614 27.171 -9.554 1.00 11.24 H new ATOM 0 HD11 ILE A 88 10.918 26.246 -6.114 1.00 73.42 H new ATOM 0 HD12 ILE A 88 11.441 26.569 -7.784 1.00 73.42 H new ATOM 0 HD13 ILE A 88 10.090 27.490 -7.081 1.00 73.42 H new ATOM 1369 N LYS A 89 6.574 27.991 -10.580 1.00 32.42 N ATOM 1370 CA LYS A 89 5.854 28.169 -11.835 1.00 62.44 C ATOM 1371 C LYS A 89 6.808 28.567 -12.957 1.00 72.34 C ATOM 1372 O LYS A 89 7.499 29.581 -12.866 1.00 42.34 O ATOM 1373 CB LYS A 89 4.765 29.232 -11.676 1.00 72.44 C ATOM 1374 CG LYS A 89 4.293 29.821 -12.994 1.00 42.04 C ATOM 1375 CD LYS A 89 2.786 30.009 -13.013 1.00 55.53 C ATOM 1376 CE LYS A 89 2.298 30.725 -11.763 1.00 35.43 C ATOM 1377 NZ LYS A 89 1.103 31.570 -12.038 1.00 11.03 N ATOM 0 H LYS A 89 6.512 28.785 -9.942 1.00 32.42 H new ATOM 0 HA LYS A 89 5.389 27.218 -12.097 1.00 62.44 H new ATOM 0 HB2 LYS A 89 3.913 28.792 -11.158 1.00 72.44 H new ATOM 0 HB3 LYS A 89 5.143 30.035 -11.043 1.00 72.44 H new ATOM 0 HG2 LYS A 89 4.782 30.781 -13.161 1.00 42.04 H new ATOM 0 HG3 LYS A 89 4.589 29.166 -13.813 1.00 42.04 H new ATOM 0 HD2 LYS A 89 2.501 30.581 -13.896 1.00 55.53 H new ATOM 0 HD3 LYS A 89 2.298 29.037 -13.091 1.00 55.53 H new ATOM 0 HE2 LYS A 89 2.054 29.990 -10.996 1.00 35.43 H new ATOM 0 HE3 LYS A 89 3.099 31.348 -11.365 1.00 35.43 H new ATOM 0 HZ1 LYS A 89 0.802 32.041 -11.161 1.00 11.03 H new ATOM 0 HZ2 LYS A 89 1.342 32.288 -12.752 1.00 11.03 H new ATOM 0 HZ3 LYS A 89 0.330 30.972 -12.394 1.00 11.03 H new ATOM 1391 N ASP A 90 6.839 27.763 -14.014 1.00 74.34 N ATOM 1392 CA ASP A 90 7.706 28.033 -15.155 1.00 73.24 C ATOM 1393 C ASP A 90 9.117 27.511 -14.901 1.00 54.52 C ATOM 1394 O ASP A 90 9.937 27.440 -15.815 1.00 42.50 O ATOM 1395 CB ASP A 90 7.748 29.534 -15.447 1.00 70.40 C ATOM 1396 CG ASP A 90 8.022 29.832 -16.908 1.00 1.01 C ATOM 1397 OD1 ASP A 90 7.189 29.453 -17.757 1.00 13.11 O ATOM 1398 OD2 ASP A 90 9.071 30.444 -17.202 1.00 75.23 O ATOM 0 H ASP A 90 6.274 26.919 -14.104 1.00 74.34 H new ATOM 0 HA ASP A 90 7.297 27.514 -16.022 1.00 73.24 H new ATOM 0 HB2 ASP A 90 6.798 29.984 -15.159 1.00 70.40 H new ATOM 0 HB3 ASP A 90 8.520 29.999 -14.833 1.00 70.40 H new ATOM 1403 N GLY A 91 9.392 27.149 -13.652 1.00 21.41 N ATOM 1404 CA GLY A 91 10.705 26.640 -13.300 1.00 33.24 C ATOM 1405 C GLY A 91 11.556 27.674 -12.590 1.00 42.03 C ATOM 1406 O GLY A 91 12.734 27.841 -12.907 1.00 34.15 O ATOM 0 H GLY A 91 8.730 27.199 -12.878 1.00 21.41 H new ATOM 0 HA2 GLY A 91 10.592 25.765 -12.660 1.00 33.24 H new ATOM 0 HA3 GLY A 91 11.218 26.310 -14.204 1.00 33.24 H new ATOM 1410 N ALA A 92 10.959 28.372 -11.629 1.00 61.54 N ATOM 1411 CA ALA A 92 11.671 29.395 -10.873 1.00 73.44 C ATOM 1412 C ALA A 92 11.160 29.472 -9.439 1.00 14.12 C ATOM 1413 O ALA A 92 11.679 28.800 -8.549 1.00 30.14 O ATOM 1414 CB ALA A 92 11.535 30.747 -11.558 1.00 20.32 C ATOM 0 H ALA A 92 9.984 28.248 -11.356 1.00 61.54 H new ATOM 0 HA ALA A 92 12.726 29.121 -10.841 1.00 73.44 H new ATOM 0 HB1 ALA A 92 12.071 31.502 -10.983 1.00 20.32 H new ATOM 0 HB2 ALA A 92 11.955 30.690 -12.562 1.00 20.32 H new ATOM 0 HB3 ALA A 92 10.481 31.019 -11.620 1.00 20.32 H new ATOM 1420 N GLU A 93 10.140 30.297 -9.222 1.00 73.15 N ATOM 1421 CA GLU A 93 9.560 30.462 -7.895 1.00 4.44 C ATOM 1422 C GLU A 93 8.322 31.353 -7.948 1.00 44.12 C ATOM 1423 O GLU A 93 8.427 32.573 -8.070 1.00 4.13 O ATOM 1424 CB GLU A 93 10.591 31.061 -6.935 1.00 63.41 C ATOM 1425 CG GLU A 93 10.309 30.758 -5.473 1.00 2.41 C ATOM 1426 CD GLU A 93 11.550 30.856 -4.607 1.00 42.10 C ATOM 1427 OE1 GLU A 93 12.585 30.268 -4.984 1.00 30.54 O ATOM 1428 OE2 GLU A 93 11.486 31.522 -3.552 1.00 51.14 O ATOM 0 H GLU A 93 9.699 30.861 -9.948 1.00 73.15 H new ATOM 0 HA GLU A 93 9.263 29.478 -7.532 1.00 4.44 H new ATOM 0 HB2 GLU A 93 11.579 30.680 -7.192 1.00 63.41 H new ATOM 0 HB3 GLU A 93 10.620 32.142 -7.074 1.00 63.41 H new ATOM 0 HG2 GLU A 93 9.555 31.452 -5.101 1.00 2.41 H new ATOM 0 HG3 GLU A 93 9.889 29.756 -5.388 1.00 2.41 H new ATOM 1435 N ALA A 94 7.150 30.733 -7.857 1.00 44.13 N ATOM 1436 CA ALA A 94 5.892 31.468 -7.894 1.00 4.51 C ATOM 1437 C ALA A 94 5.508 31.968 -6.505 1.00 42.54 C ATOM 1438 O ALA A 94 4.920 33.041 -6.362 1.00 63.40 O ATOM 1439 CB ALA A 94 4.787 30.594 -8.467 1.00 14.41 C ATOM 0 H ALA A 94 7.046 29.723 -7.757 1.00 44.13 H new ATOM 0 HA ALA A 94 6.025 32.336 -8.540 1.00 4.51 H new ATOM 0 HB1 ALA A 94 3.853 31.156 -8.489 1.00 14.41 H new ATOM 0 HB2 ALA A 94 5.052 30.290 -9.480 1.00 14.41 H new ATOM 0 HB3 ALA A 94 4.663 29.708 -7.844 1.00 14.41 H new ATOM 1445 N ASP A 95 5.843 31.185 -5.486 1.00 42.21 N ATOM 1446 CA ASP A 95 5.533 31.549 -4.108 1.00 63.13 C ATOM 1447 C ASP A 95 5.501 30.313 -3.214 1.00 42.32 C ATOM 1448 O ASP A 95 5.738 29.195 -3.673 1.00 2.45 O ATOM 1449 CB ASP A 95 4.190 32.278 -4.040 1.00 65.15 C ATOM 1450 CG ASP A 95 4.352 33.784 -3.979 1.00 12.14 C ATOM 1451 OD1 ASP A 95 5.188 34.259 -3.182 1.00 31.51 O ATOM 1452 OD2 ASP A 95 3.641 34.488 -4.726 1.00 43.44 O ATOM 0 H ASP A 95 6.329 30.294 -5.588 1.00 42.21 H new ATOM 0 HA ASP A 95 6.317 32.215 -3.749 1.00 63.13 H new ATOM 0 HB2 ASP A 95 3.592 32.015 -4.913 1.00 65.15 H new ATOM 0 HB3 ASP A 95 3.640 31.939 -3.162 1.00 65.15 H new ATOM 1457 N LYS A 96 5.208 30.522 -1.935 1.00 54.33 N ATOM 1458 CA LYS A 96 5.144 29.427 -0.975 1.00 60.55 C ATOM 1459 C LYS A 96 3.880 29.519 -0.127 1.00 52.10 C ATOM 1460 O LYS A 96 3.128 30.489 -0.220 1.00 13.35 O ATOM 1461 CB LYS A 96 6.379 29.440 -0.072 1.00 43.12 C ATOM 1462 CG LYS A 96 6.521 30.712 0.746 1.00 53.13 C ATOM 1463 CD LYS A 96 7.533 31.663 0.128 1.00 32.42 C ATOM 1464 CE LYS A 96 8.956 31.283 0.506 1.00 44.03 C ATOM 1465 NZ LYS A 96 9.257 31.602 1.929 1.00 35.21 N ATOM 0 H LYS A 96 5.011 31.441 -1.539 1.00 54.33 H new ATOM 0 HA LYS A 96 5.119 28.490 -1.532 1.00 60.55 H new ATOM 0 HB2 LYS A 96 6.333 28.586 0.604 1.00 43.12 H new ATOM 0 HB3 LYS A 96 7.270 29.312 -0.687 1.00 43.12 H new ATOM 0 HG2 LYS A 96 5.553 31.208 0.821 1.00 53.13 H new ATOM 0 HG3 LYS A 96 6.829 30.460 1.761 1.00 53.13 H new ATOM 0 HD2 LYS A 96 7.428 31.653 -0.957 1.00 32.42 H new ATOM 0 HD3 LYS A 96 7.327 32.681 0.459 1.00 32.42 H new ATOM 0 HE2 LYS A 96 9.105 30.217 0.334 1.00 44.03 H new ATOM 0 HE3 LYS A 96 9.657 31.811 -0.140 1.00 44.03 H new ATOM 0 HZ1 LYS A 96 10.285 31.571 2.082 1.00 35.21 H new ATOM 0 HZ2 LYS A 96 8.902 32.553 2.154 1.00 35.21 H new ATOM 0 HZ3 LYS A 96 8.794 30.905 2.546 1.00 35.21 H new ATOM 1479 N VAL A 97 3.652 28.504 0.701 1.00 44.22 N ATOM 1480 CA VAL A 97 2.481 28.473 1.568 1.00 74.32 C ATOM 1481 C VAL A 97 2.815 27.858 2.922 1.00 24.40 C ATOM 1482 O VAL A 97 3.277 28.546 3.832 1.00 43.42 O ATOM 1483 CB VAL A 97 1.329 27.677 0.926 1.00 54.23 C ATOM 1484 CG1 VAL A 97 0.263 27.350 1.961 1.00 42.31 C ATOM 1485 CG2 VAL A 97 0.732 28.452 -0.240 1.00 34.34 C ATOM 0 H VAL A 97 4.263 27.692 0.789 1.00 44.22 H new ATOM 0 HA VAL A 97 2.165 29.507 1.710 1.00 74.32 H new ATOM 0 HB VAL A 97 1.729 26.738 0.543 1.00 54.23 H new ATOM 0 HG11 VAL A 97 -0.542 26.788 1.489 1.00 42.31 H new ATOM 0 HG12 VAL A 97 0.703 26.753 2.760 1.00 42.31 H new ATOM 0 HG13 VAL A 97 -0.136 28.275 2.377 1.00 42.31 H new ATOM 0 HG21 VAL A 97 -0.080 27.875 -0.682 1.00 34.34 H new ATOM 0 HG22 VAL A 97 0.347 29.407 0.117 1.00 34.34 H new ATOM 0 HG23 VAL A 97 1.502 28.629 -0.991 1.00 34.34 H new ATOM 1495 N VAL A 98 2.580 26.555 3.049 1.00 53.50 N ATOM 1496 CA VAL A 98 2.858 25.846 4.292 1.00 73.11 C ATOM 1497 C VAL A 98 2.101 24.524 4.351 1.00 14.02 C ATOM 1498 O VAL A 98 0.899 24.473 4.093 1.00 33.24 O ATOM 1499 CB VAL A 98 2.481 26.696 5.520 1.00 42.11 C ATOM 1500 CG1 VAL A 98 1.830 25.832 6.589 1.00 72.34 C ATOM 1501 CG2 VAL A 98 3.708 27.407 6.072 1.00 72.43 C ATOM 0 H VAL A 98 2.198 25.970 2.306 1.00 53.50 H new ATOM 0 HA VAL A 98 3.930 25.649 4.311 1.00 73.11 H new ATOM 0 HB VAL A 98 1.760 27.452 5.209 1.00 42.11 H new ATOM 0 HG11 VAL A 98 1.571 26.450 7.448 1.00 72.34 H new ATOM 0 HG12 VAL A 98 0.927 25.374 6.186 1.00 72.34 H new ATOM 0 HG13 VAL A 98 2.525 25.052 6.900 1.00 72.34 H new ATOM 0 HG21 VAL A 98 3.424 28.003 6.939 1.00 72.43 H new ATOM 0 HG22 VAL A 98 4.454 26.669 6.368 1.00 72.43 H new ATOM 0 HG23 VAL A 98 4.127 28.059 5.305 1.00 72.43 H new ATOM 1511 N GLY A 99 2.813 23.455 4.694 1.00 61.24 N ATOM 1512 CA GLY A 99 2.192 22.146 4.781 1.00 13.32 C ATOM 1513 C GLY A 99 1.470 21.934 6.097 1.00 23.13 C ATOM 1514 O GLY A 99 1.584 20.874 6.711 1.00 25.53 O ATOM 0 H GLY A 99 3.809 23.472 4.913 1.00 61.24 H new ATOM 0 HA2 GLY A 99 1.486 22.027 3.959 1.00 13.32 H new ATOM 0 HA3 GLY A 99 2.955 21.377 4.660 1.00 13.32 H new ATOM 1518 N ALA A 100 0.727 22.946 6.533 1.00 74.44 N ATOM 1519 CA ALA A 100 -0.016 22.865 7.784 1.00 32.41 C ATOM 1520 C ALA A 100 -1.258 23.748 7.743 1.00 14.15 C ATOM 1521 O ALA A 100 -1.872 24.020 8.775 1.00 13.04 O ATOM 1522 CB ALA A 100 0.875 23.257 8.953 1.00 10.12 C ATOM 0 H ALA A 100 0.624 23.832 6.038 1.00 74.44 H new ATOM 0 HA ALA A 100 -0.341 21.833 7.919 1.00 32.41 H new ATOM 0 HB1 ALA A 100 0.307 23.192 9.881 1.00 10.12 H new ATOM 0 HB2 ALA A 100 1.729 22.581 9.002 1.00 10.12 H new ATOM 0 HB3 ALA A 100 1.228 24.279 8.815 1.00 10.12 H new ATOM 1528 N ARG A 101 -1.623 24.194 6.546 1.00 62.03 N ATOM 1529 CA ARG A 101 -2.791 25.049 6.372 1.00 61.35 C ATOM 1530 C ARG A 101 -3.741 24.465 5.330 1.00 35.14 C ATOM 1531 O ARG A 101 -3.393 24.341 4.156 1.00 73.30 O ATOM 1532 CB ARG A 101 -2.362 26.456 5.953 1.00 3.23 C ATOM 1533 CG ARG A 101 -2.276 27.436 7.112 1.00 44.20 C ATOM 1534 CD ARG A 101 -1.335 26.935 8.197 1.00 41.23 C ATOM 1535 NE ARG A 101 -0.853 28.020 9.048 1.00 55.04 N ATOM 1536 CZ ARG A 101 -0.241 27.826 10.210 1.00 64.40 C ATOM 1537 NH1 ARG A 101 -0.035 26.594 10.657 1.00 11.41 N ATOM 1538 NH2 ARG A 101 0.169 28.864 10.927 1.00 13.05 N ATOM 0 H ARG A 101 -1.127 23.977 5.682 1.00 62.03 H new ATOM 0 HA ARG A 101 -3.314 25.105 7.326 1.00 61.35 H new ATOM 0 HB2 ARG A 101 -1.390 26.400 5.463 1.00 3.23 H new ATOM 0 HB3 ARG A 101 -3.069 26.838 5.217 1.00 3.23 H new ATOM 0 HG2 ARG A 101 -1.930 28.403 6.747 1.00 44.20 H new ATOM 0 HG3 ARG A 101 -3.269 27.591 7.533 1.00 44.20 H new ATOM 0 HD2 ARG A 101 -1.850 26.195 8.810 1.00 41.23 H new ATOM 0 HD3 ARG A 101 -0.485 26.431 7.736 1.00 41.23 H new ATOM 0 HE ARG A 101 -0.994 28.979 8.732 1.00 55.04 H new ATOM 0 HH11 ARG A 101 -0.347 25.793 10.108 1.00 11.41 H new ATOM 0 HH12 ARG A 101 0.435 26.448 11.550 1.00 11.41 H new ATOM 0 HH21 ARG A 101 0.014 29.813 10.586 1.00 13.05 H new ATOM 0 HH22 ARG A 101 0.639 28.713 11.820 1.00 13.05 H new ATOM 1552 N LYS A 102 -4.944 24.107 5.769 1.00 4.20 N ATOM 1553 CA LYS A 102 -5.946 23.537 4.877 1.00 62.14 C ATOM 1554 C LYS A 102 -6.766 24.635 4.207 1.00 64.03 C ATOM 1555 O LYS A 102 -7.738 24.356 3.505 1.00 42.13 O ATOM 1556 CB LYS A 102 -6.871 22.595 5.651 1.00 40.24 C ATOM 1557 CG LYS A 102 -7.307 21.379 4.852 1.00 31.01 C ATOM 1558 CD LYS A 102 -8.684 21.577 4.241 1.00 12.42 C ATOM 1559 CE LYS A 102 -9.577 20.369 4.475 1.00 33.35 C ATOM 1560 NZ LYS A 102 -10.632 20.646 5.490 1.00 42.44 N ATOM 0 H LYS A 102 -5.248 24.202 6.738 1.00 4.20 H new ATOM 0 HA LYS A 102 -5.427 22.972 4.103 1.00 62.14 H new ATOM 0 HB2 LYS A 102 -6.362 22.262 6.555 1.00 40.24 H new ATOM 0 HB3 LYS A 102 -7.756 23.147 5.968 1.00 40.24 H new ATOM 0 HG2 LYS A 102 -6.582 21.183 4.062 1.00 31.01 H new ATOM 0 HG3 LYS A 102 -7.318 20.502 5.499 1.00 31.01 H new ATOM 0 HD2 LYS A 102 -9.150 22.464 4.671 1.00 12.42 H new ATOM 0 HD3 LYS A 102 -8.586 21.756 3.170 1.00 12.42 H new ATOM 0 HE2 LYS A 102 -10.045 20.076 3.535 1.00 33.35 H new ATOM 0 HE3 LYS A 102 -8.969 19.526 4.804 1.00 33.35 H new ATOM 0 HZ1 LYS A 102 -11.219 19.798 5.621 1.00 42.44 H new ATOM 0 HZ2 LYS A 102 -10.186 20.901 6.394 1.00 42.44 H new ATOM 0 HZ3 LYS A 102 -11.229 21.433 5.165 1.00 42.44 H new ATOM 1574 N ASP A 103 -6.366 25.883 4.427 1.00 75.31 N ATOM 1575 CA ASP A 103 -7.063 27.023 3.842 1.00 20.32 C ATOM 1576 C ASP A 103 -6.094 27.916 3.074 1.00 2.12 C ATOM 1577 O ASP A 103 -6.506 28.856 2.395 1.00 52.23 O ATOM 1578 CB ASP A 103 -7.767 27.832 4.933 1.00 63.22 C ATOM 1579 CG ASP A 103 -6.953 29.030 5.381 1.00 71.10 C ATOM 1580 OD1 ASP A 103 -7.106 30.111 4.775 1.00 2.41 O ATOM 1581 OD2 ASP A 103 -6.164 28.886 6.338 1.00 12.41 O ATOM 0 H ASP A 103 -5.563 26.131 5.006 1.00 75.31 H new ATOM 0 HA ASP A 103 -7.809 26.643 3.144 1.00 20.32 H new ATOM 0 HB2 ASP A 103 -8.734 28.172 4.563 1.00 63.22 H new ATOM 0 HB3 ASP A 103 -7.962 27.188 5.790 1.00 63.22 H new ATOM 1586 N ASP A 104 -4.805 27.617 3.188 1.00 24.40 N ATOM 1587 CA ASP A 104 -3.776 28.392 2.505 1.00 52.45 C ATOM 1588 C ASP A 104 -3.177 27.600 1.347 1.00 23.42 C ATOM 1589 O ASP A 104 -2.537 28.165 0.459 1.00 22.42 O ATOM 1590 CB ASP A 104 -2.675 28.797 3.486 1.00 33.33 C ATOM 1591 CG ASP A 104 -2.145 30.192 3.219 1.00 34.25 C ATOM 1592 OD1 ASP A 104 -1.257 30.333 2.353 1.00 31.04 O ATOM 1593 OD2 ASP A 104 -2.618 31.142 3.877 1.00 13.54 O ATOM 0 H ASP A 104 -4.447 26.843 3.747 1.00 24.40 H new ATOM 0 HA ASP A 104 -4.242 29.292 2.103 1.00 52.45 H new ATOM 0 HB2 ASP A 104 -3.063 28.748 4.503 1.00 33.33 H new ATOM 0 HB3 ASP A 104 -1.855 28.082 3.423 1.00 33.33 H new ATOM 1598 N LEU A 105 -3.387 26.288 1.364 1.00 40.12 N ATOM 1599 CA LEU A 105 -2.867 25.416 0.316 1.00 4.51 C ATOM 1600 C LEU A 105 -3.768 25.445 -0.914 1.00 12.12 C ATOM 1601 O LEU A 105 -3.427 26.048 -1.931 1.00 24.21 O ATOM 1602 CB LEU A 105 -2.738 23.983 0.835 1.00 41.20 C ATOM 1603 CG LEU A 105 -2.504 22.905 -0.223 1.00 74.35 C ATOM 1604 CD1 LEU A 105 -1.103 23.019 -0.802 1.00 44.31 C ATOM 1605 CD2 LEU A 105 -2.728 21.520 0.367 1.00 1.34 C ATOM 0 H LEU A 105 -3.914 25.805 2.092 1.00 40.12 H new ATOM 0 HA LEU A 105 -1.881 25.782 0.029 1.00 4.51 H new ATOM 0 HB2 LEU A 105 -1.914 23.949 1.548 1.00 41.20 H new ATOM 0 HB3 LEU A 105 -3.646 23.734 1.384 1.00 41.20 H new ATOM 0 HG LEU A 105 -3.221 23.055 -1.030 1.00 74.35 H new ATOM 0 HD11 LEU A 105 -0.956 22.243 -1.553 1.00 44.31 H new ATOM 0 HD12 LEU A 105 -0.978 23.999 -1.263 1.00 44.31 H new ATOM 0 HD13 LEU A 105 -0.369 22.897 -0.005 1.00 44.31 H new ATOM 0 HD21 LEU A 105 -2.557 20.765 -0.401 1.00 1.34 H new ATOM 0 HD22 LEU A 105 -2.036 21.360 1.193 1.00 1.34 H new ATOM 0 HD23 LEU A 105 -3.752 21.441 0.731 1.00 1.34 H new ATOM 1617 N GLN A 106 -4.921 24.792 -0.811 1.00 60.45 N ATOM 1618 CA GLN A 106 -5.872 24.744 -1.916 1.00 32.04 C ATOM 1619 C GLN A 106 -6.131 26.140 -2.472 1.00 3.21 C ATOM 1620 O GLN A 106 -6.619 26.292 -3.591 1.00 10.32 O ATOM 1621 CB GLN A 106 -7.188 24.113 -1.456 1.00 40.41 C ATOM 1622 CG GLN A 106 -7.913 24.925 -0.395 1.00 34.32 C ATOM 1623 CD GLN A 106 -7.023 25.278 0.780 1.00 23.30 C ATOM 1624 OE1 GLN A 106 -6.876 26.448 1.133 1.00 43.32 O ATOM 1625 NE2 GLN A 106 -6.422 24.265 1.394 1.00 72.45 N ATOM 0 H GLN A 106 -5.219 24.289 0.025 1.00 60.45 H new ATOM 0 HA GLN A 106 -5.440 24.132 -2.708 1.00 32.04 H new ATOM 0 HB2 GLN A 106 -7.843 23.990 -2.318 1.00 40.41 H new ATOM 0 HB3 GLN A 106 -6.986 23.116 -1.064 1.00 40.41 H new ATOM 0 HG2 GLN A 106 -8.296 25.841 -0.844 1.00 34.32 H new ATOM 0 HG3 GLN A 106 -8.774 24.361 -0.037 1.00 34.32 H new ATOM 0 HE21 GLN A 106 -6.572 23.310 1.068 1.00 72.45 H new ATOM 0 HE22 GLN A 106 -5.811 24.442 2.191 1.00 72.45 H new ATOM 1634 N ASN A 107 -5.800 27.157 -1.682 1.00 50.05 N ATOM 1635 CA ASN A 107 -5.998 28.542 -2.096 1.00 65.52 C ATOM 1636 C ASN A 107 -4.869 29.001 -3.015 1.00 34.02 C ATOM 1637 O ASN A 107 -5.082 29.802 -3.926 1.00 70.41 O ATOM 1638 CB ASN A 107 -6.077 29.455 -0.871 1.00 52.25 C ATOM 1639 CG ASN A 107 -5.537 30.844 -1.150 1.00 43.44 C ATOM 1640 OD1 ASN A 107 -6.221 31.683 -1.737 1.00 73.41 O ATOM 1641 ND2 ASN A 107 -4.302 31.094 -0.730 1.00 11.11 N ATOM 0 H ASN A 107 -5.394 27.048 -0.753 1.00 50.05 H new ATOM 0 HA ASN A 107 -6.937 28.601 -2.646 1.00 65.52 H new ATOM 0 HB2 ASN A 107 -7.114 29.530 -0.544 1.00 52.25 H new ATOM 0 HB3 ASN A 107 -5.515 29.008 -0.051 1.00 52.25 H new ATOM 0 HD21 ASN A 107 -3.885 32.011 -0.890 1.00 11.11 H new ATOM 0 HD22 ASN A 107 -3.771 30.369 -0.248 1.00 11.11 H new ATOM 1648 N THR A 108 -3.668 28.488 -2.769 1.00 45.23 N ATOM 1649 CA THR A 108 -2.505 28.846 -3.573 1.00 34.51 C ATOM 1650 C THR A 108 -2.468 28.047 -4.871 1.00 10.01 C ATOM 1651 O THR A 108 -2.123 28.578 -5.927 1.00 64.41 O ATOM 1652 CB THR A 108 -1.194 28.609 -2.800 1.00 40.43 C ATOM 1653 OG1 THR A 108 -0.998 29.651 -1.838 1.00 1.51 O ATOM 1654 CG2 THR A 108 -0.007 28.560 -3.751 1.00 13.12 C ATOM 0 H THR A 108 -3.475 27.823 -2.020 1.00 45.23 H new ATOM 0 HA THR A 108 -2.595 29.907 -3.805 1.00 34.51 H new ATOM 0 HB THR A 108 -1.268 27.650 -2.287 1.00 40.43 H new ATOM 0 HG1 THR A 108 -0.249 30.218 -2.117 1.00 1.51 H new ATOM 0 HG21 THR A 108 0.908 28.392 -3.183 1.00 13.12 H new ATOM 0 HG22 THR A 108 -0.146 27.748 -4.464 1.00 13.12 H new ATOM 0 HG23 THR A 108 0.068 29.506 -4.288 1.00 13.12 H new ATOM 1662 N ILE A 109 -2.826 26.770 -4.785 1.00 50.32 N ATOM 1663 CA ILE A 109 -2.835 25.900 -5.954 1.00 62.22 C ATOM 1664 C ILE A 109 -3.823 26.398 -7.003 1.00 51.02 C ATOM 1665 O ILE A 109 -3.660 26.143 -8.197 1.00 5.35 O ATOM 1666 CB ILE A 109 -3.193 24.451 -5.575 1.00 34.15 C ATOM 1667 CG1 ILE A 109 -1.988 23.753 -4.942 1.00 3.12 C ATOM 1668 CG2 ILE A 109 -3.673 23.686 -6.799 1.00 23.30 C ATOM 1669 CD1 ILE A 109 -1.814 24.061 -3.471 1.00 53.40 C ATOM 0 H ILE A 109 -3.113 26.315 -3.918 1.00 50.32 H new ATOM 0 HA ILE A 109 -1.827 25.920 -6.369 1.00 62.22 H new ATOM 0 HB ILE A 109 -4.001 24.472 -4.844 1.00 34.15 H new ATOM 0 HG12 ILE A 109 -2.095 22.676 -5.069 1.00 3.12 H new ATOM 0 HG13 ILE A 109 -1.085 24.049 -5.476 1.00 3.12 H new ATOM 0 HG21 ILE A 109 -3.922 22.664 -6.515 1.00 23.30 H new ATOM 0 HG22 ILE A 109 -4.557 24.174 -7.210 1.00 23.30 H new ATOM 0 HG23 ILE A 109 -2.884 23.671 -7.551 1.00 23.30 H new ATOM 0 HD11 ILE A 109 -0.941 23.532 -3.089 1.00 53.40 H new ATOM 0 HD12 ILE A 109 -1.675 25.134 -3.338 1.00 53.40 H new ATOM 0 HD13 ILE A 109 -2.700 23.739 -2.925 1.00 53.40 H new ATOM 1681 N VAL A 110 -4.849 27.112 -6.550 1.00 70.41 N ATOM 1682 CA VAL A 110 -5.863 27.649 -7.449 1.00 70.05 C ATOM 1683 C VAL A 110 -5.360 28.901 -8.160 1.00 21.42 C ATOM 1684 O VAL A 110 -5.751 29.186 -9.292 1.00 34.42 O ATOM 1685 CB VAL A 110 -7.161 27.988 -6.693 1.00 52.01 C ATOM 1686 CG1 VAL A 110 -7.768 26.733 -6.085 1.00 13.02 C ATOM 1687 CG2 VAL A 110 -6.895 29.035 -5.622 1.00 33.22 C ATOM 0 H VAL A 110 -5.000 27.332 -5.565 1.00 70.41 H new ATOM 0 HA VAL A 110 -6.073 26.875 -8.187 1.00 70.05 H new ATOM 0 HB VAL A 110 -7.877 28.401 -7.403 1.00 52.01 H new ATOM 0 HG11 VAL A 110 -8.684 26.992 -5.555 1.00 13.02 H new ATOM 0 HG12 VAL A 110 -7.996 26.019 -6.876 1.00 13.02 H new ATOM 0 HG13 VAL A 110 -7.059 26.287 -5.387 1.00 13.02 H new ATOM 0 HG21 VAL A 110 -7.823 29.263 -5.097 1.00 33.22 H new ATOM 0 HG22 VAL A 110 -6.162 28.652 -4.912 1.00 33.22 H new ATOM 0 HG23 VAL A 110 -6.509 29.942 -6.088 1.00 33.22 H new ATOM 1697 N LYS A 111 -4.489 29.646 -7.488 1.00 22.32 N ATOM 1698 CA LYS A 111 -3.929 30.867 -8.054 1.00 11.20 C ATOM 1699 C LYS A 111 -2.811 30.547 -9.040 1.00 64.14 C ATOM 1700 O LYS A 111 -2.568 31.299 -9.985 1.00 75.54 O ATOM 1701 CB LYS A 111 -3.398 31.773 -6.941 1.00 22.02 C ATOM 1702 CG LYS A 111 -1.897 31.666 -6.734 1.00 41.21 C ATOM 1703 CD LYS A 111 -1.508 31.980 -5.299 1.00 61.30 C ATOM 1704 CE LYS A 111 -1.086 33.432 -5.140 1.00 53.44 C ATOM 1705 NZ LYS A 111 0.272 33.554 -4.541 1.00 75.32 N ATOM 0 H LYS A 111 -4.155 29.425 -6.550 1.00 22.32 H new ATOM 0 HA LYS A 111 -4.724 31.387 -8.589 1.00 11.20 H new ATOM 0 HB2 LYS A 111 -3.651 32.807 -7.174 1.00 22.02 H new ATOM 0 HB3 LYS A 111 -3.904 31.523 -6.008 1.00 22.02 H new ATOM 0 HG2 LYS A 111 -1.564 30.660 -6.990 1.00 41.21 H new ATOM 0 HG3 LYS A 111 -1.386 32.352 -7.409 1.00 41.21 H new ATOM 0 HD2 LYS A 111 -2.350 31.770 -4.639 1.00 61.30 H new ATOM 0 HD3 LYS A 111 -0.691 31.327 -4.991 1.00 61.30 H new ATOM 0 HE2 LYS A 111 -1.099 33.922 -6.113 1.00 53.44 H new ATOM 0 HE3 LYS A 111 -1.808 33.953 -4.511 1.00 53.44 H new ATOM 0 HZ1 LYS A 111 0.585 34.545 -4.589 1.00 75.32 H new ATOM 0 HZ2 LYS A 111 0.242 33.248 -3.547 1.00 75.32 H new ATOM 0 HZ3 LYS A 111 0.939 32.954 -5.068 1.00 75.32 H new ATOM 1719 N HIS A 112 -2.132 29.426 -8.816 1.00 13.04 N ATOM 1720 CA HIS A 112 -1.040 29.005 -9.686 1.00 54.44 C ATOM 1721 C HIS A 112 -1.507 27.927 -10.660 1.00 44.21 C ATOM 1722 O HIS A 112 -1.254 28.011 -11.862 1.00 74.22 O ATOM 1723 CB HIS A 112 0.132 28.485 -8.854 1.00 41.25 C ATOM 1724 CG HIS A 112 0.583 29.440 -7.793 1.00 3.15 C ATOM 1725 ND1 HIS A 112 0.997 29.221 -6.523 1.00 30.51 N flip ATOM 1726 CD2 HIS A 112 0.642 30.805 -7.983 1.00 23.34 C flip ATOM 1727 CE1 HIS A 112 1.297 30.444 -5.975 1.00 1.03 C flip ATOM 1728 NE2 HIS A 112 1.074 31.383 -6.877 1.00 34.11 N flip ATOM 0 H HIS A 112 -2.319 28.793 -8.039 1.00 13.04 H new ATOM 0 HA HIS A 112 -0.711 29.871 -10.260 1.00 54.44 H new ATOM 0 HB2 HIS A 112 -0.155 27.544 -8.386 1.00 41.25 H new ATOM 0 HB3 HIS A 112 0.970 28.269 -9.517 1.00 41.25 H new ATOM 0 HD1 HIS A 112 1.072 28.316 -6.059 1.00 30.51 H new ATOM 0 HD2 HIS A 112 0.376 31.321 -8.894 1.00 23.34 H new ATOM 0 HE1 HIS A 112 1.657 30.611 -4.970 1.00 1.03 H new ATOM 1736 N VAL A 113 -2.187 26.915 -10.133 1.00 34.43 N ATOM 1737 CA VAL A 113 -2.689 25.820 -10.955 1.00 51.10 C ATOM 1738 C VAL A 113 -4.123 26.081 -11.401 1.00 74.42 C ATOM 1739 O VAL A 113 -4.539 25.648 -12.475 1.00 43.25 O ATOM 1740 CB VAL A 113 -2.634 24.479 -10.199 1.00 42.21 C ATOM 1741 CG1 VAL A 113 -2.730 23.313 -11.171 1.00 50.55 C ATOM 1742 CG2 VAL A 113 -1.362 24.388 -9.369 1.00 13.11 C ATOM 0 H VAL A 113 -2.403 26.830 -9.140 1.00 34.43 H new ATOM 0 HA VAL A 113 -2.044 25.761 -11.831 1.00 51.10 H new ATOM 0 HB VAL A 113 -3.487 24.428 -9.523 1.00 42.21 H new ATOM 0 HG11 VAL A 113 -2.689 22.374 -10.618 1.00 50.55 H new ATOM 0 HG12 VAL A 113 -3.671 23.372 -11.718 1.00 50.55 H new ATOM 0 HG13 VAL A 113 -1.898 23.356 -11.874 1.00 50.55 H new ATOM 0 HG21 VAL A 113 -1.339 23.434 -8.841 1.00 13.11 H new ATOM 0 HG22 VAL A 113 -0.494 24.461 -10.024 1.00 13.11 H new ATOM 0 HG23 VAL A 113 -1.340 25.203 -8.646 1.00 13.11 H new ATOM 1752 N GLY A 114 -4.877 26.792 -10.568 1.00 22.01 N ATOM 1753 CA GLY A 114 -6.257 27.099 -10.894 1.00 72.32 C ATOM 1754 C GLY A 114 -6.379 28.231 -11.895 1.00 24.12 C ATOM 1755 O GLY A 114 -7.465 28.505 -12.403 1.00 53.10 O ATOM 0 H GLY A 114 -4.556 27.161 -9.673 1.00 22.01 H new ATOM 0 HA2 GLY A 114 -6.738 26.208 -11.297 1.00 72.32 H new ATOM 0 HA3 GLY A 114 -6.792 27.365 -9.982 1.00 72.32 H new ATOM 1759 N ALA A 115 -5.260 28.891 -12.177 1.00 55.41 N ATOM 1760 CA ALA A 115 -5.246 30.000 -13.123 1.00 74.04 C ATOM 1761 C ALA A 115 -6.499 30.858 -12.983 1.00 74.31 C ATOM 1762 O ALA A 115 -7.045 31.345 -13.973 1.00 55.24 O ATOM 1763 CB ALA A 115 -5.119 29.477 -14.547 1.00 1.43 C ATOM 0 H ALA A 115 -4.352 28.677 -11.764 1.00 55.41 H new ATOM 0 HA ALA A 115 -4.382 30.626 -12.898 1.00 74.04 H new ATOM 0 HB1 ALA A 115 -5.110 30.316 -15.243 1.00 1.43 H new ATOM 0 HB2 ALA A 115 -4.192 28.913 -14.646 1.00 1.43 H new ATOM 0 HB3 ALA A 115 -5.965 28.827 -14.773 1.00 1.43 H new