USER MOD reduce.3.24.130724 H: found=0, std=0, add=373, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 373 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 24 TYR OH : rot -83:sc= 0.268 USER MOD Set 1.2: A 49 MET CE :methyl -118:sc= 0 (180deg=-0.377) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot -137:sc= 1.42 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0.46 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0024) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.574 K(o=0.57,f=-8.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.14 USER MOD Single : A 40 THR OG1 : rot -17:sc= 0.563 USER MOD Single : A 42 MET CE :methyl 176:sc= -0.208 (180deg=-0.227) USER MOD Single : A 44 THR OG1 : rot 81:sc= 0.218 USER MOD Single : A 46 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.128) USER MOD Single : A 47 MET CE :methyl 168:sc= -0.0212 (180deg=-0.308) USER MOD Single : A 48 TYR OH : rot -145:sc= 0.714 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N VAL A 3 31.302 36.094 26.226 1.00 0.00 N ATOM 30 CA VAL A 3 32.559 36.010 27.002 1.00 0.00 C ATOM 31 C VAL A 3 33.744 35.590 26.125 1.00 0.00 C ATOM 32 O VAL A 3 33.612 34.755 25.229 1.00 0.00 O ATOM 33 CB VAL A 3 32.468 35.088 28.245 1.00 0.00 C ATOM 34 CG1 VAL A 3 31.504 35.663 29.294 1.00 0.00 C ATOM 35 CG2 VAL A 3 32.070 33.637 27.938 1.00 0.00 C ATOM 0 HA VAL A 3 32.728 37.022 27.370 1.00 0.00 H new ATOM 0 HB VAL A 3 33.485 35.058 28.637 1.00 0.00 H new ATOM 0 HG11 VAL A 3 31.461 34.995 30.154 1.00 0.00 H new ATOM 0 HG12 VAL A 3 31.857 36.643 29.614 1.00 0.00 H new ATOM 0 HG13 VAL A 3 30.509 35.760 28.860 1.00 0.00 H new ATOM 0 HG21 VAL A 3 32.032 33.066 28.866 1.00 0.00 H new ATOM 0 HG22 VAL A 3 31.090 33.622 27.462 1.00 0.00 H new ATOM 0 HG23 VAL A 3 32.806 33.192 27.268 1.00 0.00 H new ATOM 45 N ASN A 4 34.914 36.156 26.427 1.00 0.00 N ATOM 46 CA ASN A 4 36.210 35.683 25.937 1.00 0.00 C ATOM 47 C ASN A 4 36.693 34.504 26.800 1.00 0.00 C ATOM 48 O ASN A 4 36.622 34.589 28.022 1.00 0.00 O ATOM 49 CB ASN A 4 37.236 36.825 26.033 1.00 0.00 C ATOM 50 CG ASN A 4 36.883 38.034 25.172 1.00 0.00 C ATOM 51 OD1 ASN A 4 36.246 38.985 25.621 1.00 0.00 O ATOM 52 ND2 ASN A 4 37.288 38.029 23.917 1.00 0.00 N ATOM 0 H ASN A 4 34.988 36.974 27.032 1.00 0.00 H new ATOM 0 HA ASN A 4 36.107 35.359 24.901 1.00 0.00 H new ATOM 0 HB2 ASN A 4 37.320 37.141 27.073 1.00 0.00 H new ATOM 0 HB3 ASN A 4 38.215 36.450 25.734 1.00 0.00 H new ATOM 0 HD21 ASN A 4 37.073 38.819 23.309 1.00 0.00 H new ATOM 0 HD22 ASN A 4 37.816 37.235 23.555 1.00 0.00 H new ATOM 59 N THR A 5 37.226 33.432 26.197 1.00 0.00 N ATOM 60 CA THR A 5 37.900 32.326 26.912 1.00 0.00 C ATOM 61 C THR A 5 39.031 31.766 26.074 1.00 0.00 C ATOM 62 O THR A 5 38.971 31.708 24.845 1.00 0.00 O ATOM 63 CB THR A 5 36.971 31.160 27.267 1.00 0.00 C ATOM 64 OG1 THR A 5 36.464 30.557 26.109 1.00 0.00 O ATOM 65 CG2 THR A 5 35.833 31.583 28.170 1.00 0.00 C ATOM 0 H THR A 5 37.204 33.302 25.186 1.00 0.00 H new ATOM 0 HA THR A 5 38.263 32.768 27.840 1.00 0.00 H new ATOM 0 HB THR A 5 37.574 30.436 27.815 1.00 0.00 H new ATOM 0 HG1 THR A 5 35.511 30.365 26.231 1.00 0.00 H new ATOM 0 HG21 THR A 5 35.204 30.720 28.392 1.00 0.00 H new ATOM 0 HG22 THR A 5 36.236 31.986 29.099 1.00 0.00 H new ATOM 0 HG23 THR A 5 35.237 32.347 27.671 1.00 0.00 H new ATOM 73 N GLY A 6 40.024 31.254 26.784 1.00 0.00 N ATOM 74 CA GLY A 6 40.965 30.258 26.297 1.00 0.00 C ATOM 75 C GLY A 6 40.567 28.805 26.580 1.00 0.00 C ATOM 76 O GLY A 6 41.460 27.961 26.655 1.00 0.00 O ATOM 0 H GLY A 6 40.203 31.530 27.749 1.00 0.00 H new ATOM 0 HA2 GLY A 6 41.082 30.385 25.221 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.939 30.448 26.748 1.00 0.00 H new ATOM 80 N LEU A 7 39.292 28.513 26.878 1.00 0.00 N ATOM 81 CA LEU A 7 38.865 27.189 27.361 1.00 0.00 C ATOM 82 C LEU A 7 38.955 26.135 26.234 1.00 0.00 C ATOM 83 O LEU A 7 38.783 26.513 25.069 1.00 0.00 O ATOM 84 CB LEU A 7 37.462 27.256 28.000 1.00 0.00 C ATOM 85 CG LEU A 7 37.471 27.652 29.496 1.00 0.00 C ATOM 86 CD1 LEU A 7 36.027 27.893 29.962 1.00 0.00 C ATOM 87 CD2 LEU A 7 38.088 26.573 30.406 1.00 0.00 C ATOM 0 H LEU A 7 38.529 29.185 26.792 1.00 0.00 H new ATOM 0 HA LEU A 7 39.550 26.871 28.147 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.856 27.975 27.448 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.979 26.285 27.895 1.00 0.00 H new ATOM 0 HG LEU A 7 38.083 28.550 29.578 1.00 0.00 H new ATOM 0 HD11 LEU A 7 36.027 28.172 31.016 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.584 28.696 29.373 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.445 26.981 29.828 1.00 0.00 H new ATOM 0 HD21 LEU A 7 38.064 26.913 31.441 1.00 0.00 H new ATOM 0 HD22 LEU A 7 37.517 25.649 30.314 1.00 0.00 H new ATOM 0 HD23 LEU A 7 39.121 26.392 30.108 1.00 0.00 H new ATOM 99 N PRO A 8 39.230 24.846 26.540 1.00 0.00 N ATOM 100 CA PRO A 8 39.419 23.826 25.505 1.00 0.00 C ATOM 101 C PRO A 8 38.069 23.431 24.884 1.00 0.00 C ATOM 102 O PRO A 8 37.031 23.625 25.508 1.00 0.00 O ATOM 103 CB PRO A 8 40.103 22.670 26.234 1.00 0.00 C ATOM 104 CG PRO A 8 39.431 22.713 27.598 1.00 0.00 C ATOM 105 CD PRO A 8 39.331 24.218 27.867 1.00 0.00 C ATOM 0 HA PRO A 8 40.022 24.168 24.664 1.00 0.00 H new ATOM 0 HB2 PRO A 8 39.942 21.717 25.730 1.00 0.00 H new ATOM 0 HB3 PRO A 8 41.181 22.814 26.306 1.00 0.00 H new ATOM 0 HG2 PRO A 8 38.451 22.237 27.583 1.00 0.00 H new ATOM 0 HG3 PRO A 8 40.022 22.203 28.358 1.00 0.00 H new ATOM 0 HD2 PRO A 8 38.460 24.451 28.479 1.00 0.00 H new ATOM 0 HD3 PRO A 8 40.206 24.580 28.407 1.00 0.00 H new ATOM 113 N ALA A 9 38.076 22.878 23.664 1.00 0.00 N ATOM 114 CA ALA A 9 36.915 22.819 22.755 1.00 0.00 C ATOM 115 C ALA A 9 35.656 22.076 23.263 1.00 0.00 C ATOM 116 O ALA A 9 34.588 22.172 22.645 1.00 0.00 O ATOM 117 CB ALA A 9 37.403 22.214 21.432 1.00 0.00 C ATOM 0 H ALA A 9 38.911 22.446 23.268 1.00 0.00 H new ATOM 0 HA ALA A 9 36.557 23.844 22.654 1.00 0.00 H new ATOM 0 HB1 ALA A 9 36.571 22.153 20.731 1.00 0.00 H new ATOM 0 HB2 ALA A 9 38.187 22.844 21.011 1.00 0.00 H new ATOM 0 HB3 ALA A 9 37.799 21.215 21.613 1.00 0.00 H new ATOM 123 N GLY A 10 35.750 21.333 24.367 1.00 0.00 N ATOM 124 CA GLY A 10 34.621 20.720 25.069 1.00 0.00 C ATOM 125 C GLY A 10 34.112 21.603 26.210 1.00 0.00 C ATOM 126 O GLY A 10 34.148 21.166 27.359 1.00 0.00 O ATOM 0 H GLY A 10 36.646 21.135 24.813 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.811 20.536 24.363 1.00 0.00 H new ATOM 0 HA3 GLY A 10 34.923 19.751 25.467 1.00 0.00 H new ATOM 130 N TRP A 11 33.668 22.835 25.920 1.00 0.00 N ATOM 131 CA TRP A 11 33.209 23.789 26.938 1.00 0.00 C ATOM 132 C TRP A 11 31.876 24.501 26.629 1.00 0.00 C ATOM 133 O TRP A 11 31.386 24.541 25.498 1.00 0.00 O ATOM 134 CB TRP A 11 34.315 24.815 27.244 1.00 0.00 C ATOM 135 CG TRP A 11 34.392 26.021 26.351 1.00 0.00 C ATOM 136 CD1 TRP A 11 34.999 26.066 25.146 1.00 0.00 C ATOM 137 CD2 TRP A 11 33.862 27.371 26.569 1.00 0.00 C ATOM 138 NE1 TRP A 11 34.911 27.335 24.620 1.00 0.00 N ATOM 139 CE2 TRP A 11 34.172 28.167 25.424 1.00 0.00 C ATOM 140 CE3 TRP A 11 33.155 28.014 27.613 1.00 0.00 C ATOM 141 CZ2 TRP A 11 33.775 29.507 25.303 1.00 0.00 C ATOM 142 CZ3 TRP A 11 32.769 29.365 27.511 1.00 0.00 C ATOM 143 CH2 TRP A 11 33.067 30.109 26.354 1.00 0.00 C ATOM 0 H TRP A 11 33.617 23.198 24.968 1.00 0.00 H new ATOM 0 HA TRP A 11 32.998 23.182 27.819 1.00 0.00 H new ATOM 0 HB2 TRP A 11 34.182 25.160 28.269 1.00 0.00 H new ATOM 0 HB3 TRP A 11 35.275 24.301 27.203 1.00 0.00 H new ATOM 0 HD1 TRP A 11 35.483 25.229 24.665 1.00 0.00 H new ATOM 0 HE1 TRP A 11 35.342 27.622 23.741 1.00 0.00 H new ATOM 0 HE3 TRP A 11 32.907 27.458 28.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 34.012 30.069 24.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 32.240 29.834 28.328 1.00 0.00 H new ATOM 0 HH2 TRP A 11 32.752 31.139 26.276 1.00 0.00 H new ATOM 154 N GLU A 12 31.353 25.099 27.698 1.00 0.00 N ATOM 155 CA GLU A 12 30.105 25.833 27.910 1.00 0.00 C ATOM 156 C GLU A 12 30.063 26.182 29.412 1.00 0.00 C ATOM 157 O GLU A 12 30.922 25.715 30.159 1.00 0.00 O ATOM 158 CB GLU A 12 28.868 25.017 27.472 1.00 0.00 C ATOM 159 CG GLU A 12 28.147 25.641 26.268 1.00 0.00 C ATOM 160 CD GLU A 12 27.483 26.993 26.549 1.00 0.00 C ATOM 161 OE1 GLU A 12 27.574 27.532 27.678 1.00 0.00 O ATOM 162 OE2 GLU A 12 26.830 27.529 25.625 1.00 0.00 O ATOM 0 H GLU A 12 31.880 25.075 28.571 1.00 0.00 H new ATOM 0 HA GLU A 12 30.077 26.735 27.298 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.177 24.002 27.220 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.173 24.941 28.308 1.00 0.00 H new ATOM 0 HG2 GLU A 12 28.864 25.766 25.457 1.00 0.00 H new ATOM 0 HG3 GLU A 12 27.386 24.944 25.916 1.00 0.00 H new ATOM 169 N VAL A 13 29.094 26.980 29.863 1.00 0.00 N ATOM 170 CA VAL A 13 28.941 27.435 31.263 1.00 0.00 C ATOM 171 C VAL A 13 27.553 27.057 31.790 1.00 0.00 C ATOM 172 O VAL A 13 26.567 27.115 31.052 1.00 0.00 O ATOM 173 CB VAL A 13 29.143 28.965 31.407 1.00 0.00 C ATOM 174 CG1 VAL A 13 29.248 29.411 32.872 1.00 0.00 C ATOM 175 CG2 VAL A 13 30.401 29.462 30.666 1.00 0.00 C ATOM 0 H VAL A 13 28.365 27.345 29.250 1.00 0.00 H new ATOM 0 HA VAL A 13 29.714 26.937 31.848 1.00 0.00 H new ATOM 0 HB VAL A 13 28.254 29.407 30.957 1.00 0.00 H new ATOM 0 HG11 VAL A 13 29.389 30.491 32.914 1.00 0.00 H new ATOM 0 HG12 VAL A 13 28.333 29.143 33.400 1.00 0.00 H new ATOM 0 HG13 VAL A 13 30.097 28.916 33.343 1.00 0.00 H new ATOM 0 HG21 VAL A 13 30.498 30.540 30.797 1.00 0.00 H new ATOM 0 HG22 VAL A 13 31.282 28.966 31.072 1.00 0.00 H new ATOM 0 HG23 VAL A 13 30.312 29.232 29.604 1.00 0.00 H new ATOM 185 N ARG A 14 27.477 26.678 33.069 1.00 0.00 N ATOM 186 CA ARG A 14 26.250 26.322 33.790 1.00 0.00 C ATOM 187 C ARG A 14 26.268 26.909 35.211 1.00 0.00 C ATOM 188 O ARG A 14 27.324 27.059 35.817 1.00 0.00 O ATOM 189 CB ARG A 14 26.134 24.789 33.871 1.00 0.00 C ATOM 190 CG ARG A 14 25.986 24.029 32.539 1.00 0.00 C ATOM 191 CD ARG A 14 24.583 24.070 31.915 1.00 0.00 C ATOM 192 NE ARG A 14 24.214 25.397 31.396 1.00 0.00 N ATOM 193 CZ ARG A 14 23.059 25.711 30.821 1.00 0.00 C ATOM 194 NH1 ARG A 14 22.102 24.833 30.610 1.00 0.00 N ATOM 195 NH2 ARG A 14 22.834 26.938 30.421 1.00 0.00 N ATOM 0 H ARG A 14 28.307 26.608 33.658 1.00 0.00 H new ATOM 0 HA ARG A 14 25.395 26.733 33.253 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.018 24.409 34.382 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.275 24.547 34.497 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.697 24.441 31.823 1.00 0.00 H new ATOM 0 HG3 ARG A 14 26.264 22.988 32.701 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.533 23.344 31.104 1.00 0.00 H new ATOM 0 HD3 ARG A 14 23.851 23.764 32.663 1.00 0.00 H new ATOM 0 HE ARG A 14 24.906 26.141 31.486 1.00 0.00 H new ATOM 0 HH11 ARG A 14 22.230 23.861 30.892 1.00 0.00 H new ATOM 0 HH12 ARG A 14 21.232 25.124 30.164 1.00 0.00 H new ATOM 0 HH21 ARG A 14 23.547 27.656 30.551 1.00 0.00 H new ATOM 0 HH22 ARG A 14 21.946 27.176 29.980 1.00 0.00 H new ATOM 209 N HIS A 15 25.091 27.238 35.747 1.00 0.00 N ATOM 210 CA HIS A 15 24.932 28.010 36.991 1.00 0.00 C ATOM 211 C HIS A 15 23.761 27.533 37.880 1.00 0.00 C ATOM 212 O HIS A 15 22.874 26.801 37.435 1.00 0.00 O ATOM 213 CB HIS A 15 24.819 29.505 36.631 1.00 0.00 C ATOM 214 CG HIS A 15 23.789 29.847 35.584 1.00 0.00 C ATOM 215 ND1 HIS A 15 22.442 30.141 35.826 1.00 0.00 N ATOM 216 CD2 HIS A 15 24.038 29.972 34.248 1.00 0.00 C ATOM 217 CE1 HIS A 15 21.921 30.428 34.619 1.00 0.00 C ATOM 218 NE2 HIS A 15 22.851 30.333 33.653 1.00 0.00 N ATOM 0 H HIS A 15 24.202 26.972 35.324 1.00 0.00 H new ATOM 0 HA HIS A 15 25.816 27.843 37.606 1.00 0.00 H new ATOM 0 HB2 HIS A 15 24.587 30.062 37.539 1.00 0.00 H new ATOM 0 HB3 HIS A 15 25.793 29.851 36.284 1.00 0.00 H new ATOM 0 HD2 HIS A 15 24.985 29.817 33.753 1.00 0.00 H new ATOM 0 HE1 HIS A 15 20.890 30.699 34.448 1.00 0.00 H new ATOM 0 HE2 HIS A 15 22.703 30.499 32.657 1.00 0.00 H new ATOM 226 N SER A 16 23.779 27.937 39.152 1.00 0.00 N ATOM 227 CA SER A 16 22.811 27.566 40.198 1.00 0.00 C ATOM 228 C SER A 16 23.053 28.350 41.503 1.00 0.00 C ATOM 229 O SER A 16 24.195 28.683 41.839 1.00 0.00 O ATOM 230 CB SER A 16 22.893 26.056 40.495 1.00 0.00 C ATOM 231 OG SER A 16 22.037 25.678 41.562 1.00 0.00 O ATOM 0 H SER A 16 24.504 28.563 39.503 1.00 0.00 H new ATOM 0 HA SER A 16 21.819 27.817 39.822 1.00 0.00 H new ATOM 0 HB2 SER A 16 22.626 25.495 39.599 1.00 0.00 H new ATOM 0 HB3 SER A 16 23.921 25.790 40.743 1.00 0.00 H new ATOM 0 HG SER A 16 22.116 24.714 41.719 1.00 0.00 H new ATOM 237 N ASN A 17 21.993 28.580 42.289 1.00 0.00 N ATOM 238 CA ASN A 17 22.072 29.074 43.673 1.00 0.00 C ATOM 239 C ASN A 17 22.786 28.077 44.619 1.00 0.00 C ATOM 240 O ASN A 17 23.226 28.457 45.699 1.00 0.00 O ATOM 241 CB ASN A 17 20.639 29.379 44.149 1.00 0.00 C ATOM 242 CG ASN A 17 20.571 30.180 45.449 1.00 0.00 C ATOM 243 OD1 ASN A 17 20.469 31.403 45.435 1.00 0.00 O ATOM 244 ND2 ASN A 17 20.582 29.542 46.606 1.00 0.00 N ATOM 0 H ASN A 17 21.035 28.425 41.975 1.00 0.00 H new ATOM 0 HA ASN A 17 22.678 29.980 43.697 1.00 0.00 H new ATOM 0 HB2 ASN A 17 20.118 29.931 43.367 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.105 28.439 44.286 1.00 0.00 H new ATOM 0 HD21 ASN A 17 20.506 30.066 47.478 1.00 0.00 H new ATOM 0 HD22 ASN A 17 20.666 28.526 46.627 1.00 0.00 H new ATOM 251 N SER A 18 22.948 26.814 44.214 1.00 0.00 N ATOM 252 CA SER A 18 23.559 25.731 45.000 1.00 0.00 C ATOM 253 C SER A 18 25.062 25.934 45.282 1.00 0.00 C ATOM 254 O SER A 18 25.635 25.251 46.138 1.00 0.00 O ATOM 255 CB SER A 18 23.336 24.423 44.226 1.00 0.00 C ATOM 256 OG SER A 18 23.621 23.281 45.008 1.00 0.00 O ATOM 0 H SER A 18 22.645 26.502 43.291 1.00 0.00 H new ATOM 0 HA SER A 18 23.084 25.712 45.981 1.00 0.00 H new ATOM 0 HB2 SER A 18 22.302 24.378 43.884 1.00 0.00 H new ATOM 0 HB3 SER A 18 23.966 24.418 43.337 1.00 0.00 H new ATOM 0 HG SER A 18 23.464 22.473 44.476 1.00 0.00 H new ATOM 262 N LYS A 19 25.705 26.869 44.575 1.00 0.00 N ATOM 263 CA LYS A 19 27.129 27.190 44.704 1.00 0.00 C ATOM 264 C LYS A 19 27.443 28.661 44.375 1.00 0.00 C ATOM 265 O LYS A 19 26.641 29.363 43.750 1.00 0.00 O ATOM 266 CB LYS A 19 27.972 26.194 43.881 1.00 0.00 C ATOM 267 CG LYS A 19 27.541 26.063 42.408 1.00 0.00 C ATOM 268 CD LYS A 19 28.470 25.114 41.636 1.00 0.00 C ATOM 269 CE LYS A 19 29.826 25.756 41.312 1.00 0.00 C ATOM 270 NZ LYS A 19 30.890 24.737 41.177 1.00 0.00 N ATOM 0 H LYS A 19 25.233 27.441 43.875 1.00 0.00 H new ATOM 0 HA LYS A 19 27.407 27.076 45.752 1.00 0.00 H new ATOM 0 HB2 LYS A 19 29.016 26.505 43.915 1.00 0.00 H new ATOM 0 HB3 LYS A 19 27.916 25.213 44.352 1.00 0.00 H new ATOM 0 HG2 LYS A 19 26.517 25.693 42.358 1.00 0.00 H new ATOM 0 HG3 LYS A 19 27.548 27.046 41.936 1.00 0.00 H new ATOM 0 HD2 LYS A 19 28.630 24.210 42.223 1.00 0.00 H new ATOM 0 HD3 LYS A 19 27.985 24.810 40.709 1.00 0.00 H new ATOM 0 HE2 LYS A 19 29.748 26.327 40.387 1.00 0.00 H new ATOM 0 HE3 LYS A 19 30.093 26.461 42.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 31.789 25.203 40.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 30.992 24.221 42.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 30.638 24.070 40.420 1.00 0.00 H new ATOM 284 N ASN A 20 28.609 29.147 44.809 1.00 0.00 N ATOM 285 CA ASN A 20 28.967 30.572 44.744 1.00 0.00 C ATOM 286 C ASN A 20 29.268 31.103 43.325 1.00 0.00 C ATOM 287 O ASN A 20 28.942 32.261 43.048 1.00 0.00 O ATOM 288 CB ASN A 20 30.166 30.836 45.669 1.00 0.00 C ATOM 289 CG ASN A 20 29.846 30.747 47.160 1.00 0.00 C ATOM 290 OD1 ASN A 20 28.695 30.768 47.587 1.00 0.00 O ATOM 291 ND2 ASN A 20 30.862 30.721 48.004 1.00 0.00 N ATOM 0 H ASN A 20 29.337 28.562 45.218 1.00 0.00 H new ATOM 0 HA ASN A 20 28.084 31.119 45.073 1.00 0.00 H new ATOM 0 HB2 ASN A 20 30.954 30.120 45.436 1.00 0.00 H new ATOM 0 HB3 ASN A 20 30.563 31.828 45.454 1.00 0.00 H new ATOM 0 HD21 ASN A 20 30.690 30.718 49.009 1.00 0.00 H new ATOM 0 HD22 ASN A 20 31.819 30.704 47.650 1.00 0.00 H new ATOM 298 N LEU A 21 29.875 30.283 42.454 1.00 0.00 N ATOM 299 CA LEU A 21 30.261 30.581 41.060 1.00 0.00 C ATOM 300 C LEU A 21 29.607 29.580 40.072 1.00 0.00 C ATOM 301 O LEU A 21 28.981 28.613 40.524 1.00 0.00 O ATOM 302 CB LEU A 21 31.810 30.521 40.966 1.00 0.00 C ATOM 303 CG LEU A 21 32.517 31.892 40.902 1.00 0.00 C ATOM 304 CD1 LEU A 21 32.272 32.731 42.159 1.00 0.00 C ATOM 305 CD2 LEU A 21 34.026 31.678 40.708 1.00 0.00 C ATOM 0 H LEU A 21 30.127 29.331 42.719 1.00 0.00 H new ATOM 0 HA LEU A 21 29.908 31.575 40.784 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.190 29.974 41.829 1.00 0.00 H new ATOM 0 HB3 LEU A 21 32.083 29.948 40.080 1.00 0.00 H new ATOM 0 HG LEU A 21 32.100 32.441 40.058 1.00 0.00 H new ATOM 0 HD11 LEU A 21 32.790 33.686 42.066 1.00 0.00 H new ATOM 0 HD12 LEU A 21 31.203 32.908 42.276 1.00 0.00 H new ATOM 0 HD13 LEU A 21 32.649 32.198 43.032 1.00 0.00 H new ATOM 0 HD21 LEU A 21 34.528 32.645 40.662 1.00 0.00 H new ATOM 0 HD22 LEU A 21 34.422 31.103 41.545 1.00 0.00 H new ATOM 0 HD23 LEU A 21 34.200 31.135 39.779 1.00 0.00 H new ATOM 317 N PRO A 22 29.733 29.766 38.740 1.00 0.00 N ATOM 318 CA PRO A 22 29.353 28.758 37.749 1.00 0.00 C ATOM 319 C PRO A 22 30.388 27.620 37.667 1.00 0.00 C ATOM 320 O PRO A 22 31.485 27.708 38.220 1.00 0.00 O ATOM 321 CB PRO A 22 29.250 29.521 36.421 1.00 0.00 C ATOM 322 CG PRO A 22 30.300 30.618 36.575 1.00 0.00 C ATOM 323 CD PRO A 22 30.224 30.963 38.063 1.00 0.00 C ATOM 0 HA PRO A 22 28.413 28.272 38.011 1.00 0.00 H new ATOM 0 HB2 PRO A 22 29.461 28.877 35.568 1.00 0.00 H new ATOM 0 HB3 PRO A 22 28.253 29.935 36.269 1.00 0.00 H new ATOM 0 HG2 PRO A 22 31.293 30.268 36.292 1.00 0.00 H new ATOM 0 HG3 PRO A 22 30.076 31.482 35.949 1.00 0.00 H new ATOM 0 HD2 PRO A 22 31.203 31.251 38.445 1.00 0.00 H new ATOM 0 HD3 PRO A 22 29.555 31.807 38.232 1.00 0.00 H new ATOM 331 N TYR A 23 30.044 26.565 36.926 1.00 0.00 N ATOM 332 CA TYR A 23 30.949 25.494 36.476 1.00 0.00 C ATOM 333 C TYR A 23 30.867 25.317 34.948 1.00 0.00 C ATOM 334 O TYR A 23 29.910 25.779 34.323 1.00 0.00 O ATOM 335 CB TYR A 23 30.614 24.182 37.200 1.00 0.00 C ATOM 336 CG TYR A 23 29.283 23.555 36.820 1.00 0.00 C ATOM 337 CD1 TYR A 23 28.104 23.942 37.486 1.00 0.00 C ATOM 338 CD2 TYR A 23 29.220 22.585 35.799 1.00 0.00 C ATOM 339 CE1 TYR A 23 26.872 23.349 37.156 1.00 0.00 C ATOM 340 CE2 TYR A 23 27.990 22.000 35.448 1.00 0.00 C ATOM 341 CZ TYR A 23 26.813 22.367 36.141 1.00 0.00 C ATOM 342 OH TYR A 23 25.621 21.791 35.824 1.00 0.00 O ATOM 0 H TYR A 23 29.086 26.423 36.607 1.00 0.00 H new ATOM 0 HA TYR A 23 31.973 25.774 36.724 1.00 0.00 H new ATOM 0 HB2 TYR A 23 31.407 23.462 36.999 1.00 0.00 H new ATOM 0 HB3 TYR A 23 30.617 24.367 38.274 1.00 0.00 H new ATOM 0 HD1 TYR A 23 28.146 24.699 38.255 1.00 0.00 H new ATOM 0 HD2 TYR A 23 30.122 22.289 35.283 1.00 0.00 H new ATOM 0 HE1 TYR A 23 25.973 23.643 37.677 1.00 0.00 H new ATOM 0 HE2 TYR A 23 27.944 21.272 34.651 1.00 0.00 H new ATOM 0 HH TYR A 23 25.754 21.138 35.106 1.00 0.00 H new ATOM 352 N TYR A 24 31.852 24.657 34.327 1.00 0.00 N ATOM 353 CA TYR A 24 31.896 24.512 32.864 1.00 0.00 C ATOM 354 C TYR A 24 31.509 23.091 32.403 1.00 0.00 C ATOM 355 O TYR A 24 31.728 22.119 33.128 1.00 0.00 O ATOM 356 CB TYR A 24 33.277 24.951 32.351 1.00 0.00 C ATOM 357 CG TYR A 24 33.797 26.279 32.896 1.00 0.00 C ATOM 358 CD1 TYR A 24 32.957 27.409 32.980 1.00 0.00 C ATOM 359 CD2 TYR A 24 35.130 26.376 33.345 1.00 0.00 C ATOM 360 CE1 TYR A 24 33.431 28.617 33.531 1.00 0.00 C ATOM 361 CE2 TYR A 24 35.617 27.586 33.880 1.00 0.00 C ATOM 362 CZ TYR A 24 34.768 28.709 33.982 1.00 0.00 C ATOM 363 OH TYR A 24 35.249 29.868 34.511 1.00 0.00 O ATOM 0 H TYR A 24 32.631 24.214 34.814 1.00 0.00 H new ATOM 0 HA TYR A 24 31.144 25.166 32.423 1.00 0.00 H new ATOM 0 HB2 TYR A 24 33.999 24.172 32.596 1.00 0.00 H new ATOM 0 HB3 TYR A 24 33.236 25.017 31.264 1.00 0.00 H new ATOM 0 HD1 TYR A 24 31.941 27.348 32.619 1.00 0.00 H new ATOM 0 HD2 TYR A 24 35.782 25.518 33.279 1.00 0.00 H new ATOM 0 HE1 TYR A 24 32.774 29.471 33.609 1.00 0.00 H new ATOM 0 HE2 TYR A 24 36.642 27.654 34.213 1.00 0.00 H new ATOM 0 HH TYR A 24 35.528 30.467 33.787 1.00 0.00 H new ATOM 373 N PHE A 25 30.926 22.953 31.206 1.00 0.00 N ATOM 374 CA PHE A 25 30.288 21.713 30.725 1.00 0.00 C ATOM 375 C PHE A 25 30.647 21.380 29.270 1.00 0.00 C ATOM 376 O PHE A 25 30.707 22.280 28.438 1.00 0.00 O ATOM 377 CB PHE A 25 28.767 21.888 30.850 1.00 0.00 C ATOM 378 CG PHE A 25 27.953 20.674 30.441 1.00 0.00 C ATOM 379 CD1 PHE A 25 27.924 19.540 31.274 1.00 0.00 C ATOM 380 CD2 PHE A 25 27.212 20.677 29.240 1.00 0.00 C ATOM 381 CE1 PHE A 25 27.133 18.429 30.931 1.00 0.00 C ATOM 382 CE2 PHE A 25 26.404 19.573 28.909 1.00 0.00 C ATOM 383 CZ PHE A 25 26.364 18.451 29.755 1.00 0.00 C ATOM 0 H PHE A 25 30.882 23.714 30.528 1.00 0.00 H new ATOM 0 HA PHE A 25 30.652 20.884 31.332 1.00 0.00 H new ATOM 0 HB2 PHE A 25 28.527 22.138 31.884 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.461 22.737 30.238 1.00 0.00 H new ATOM 0 HD1 PHE A 25 28.511 19.523 32.180 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.265 21.526 28.575 1.00 0.00 H new ATOM 0 HE1 PHE A 25 27.117 17.559 31.571 1.00 0.00 H new ATOM 0 HE2 PHE A 25 25.814 19.588 28.004 1.00 0.00 H new ATOM 0 HZ PHE A 25 25.742 17.605 29.501 1.00 0.00 H new ATOM 393 N ASN A 26 30.810 20.094 28.939 1.00 0.00 N ATOM 394 CA ASN A 26 30.947 19.633 27.555 1.00 0.00 C ATOM 395 C ASN A 26 29.579 19.173 26.974 1.00 0.00 C ATOM 396 O ASN A 26 29.000 18.202 27.472 1.00 0.00 O ATOM 397 CB ASN A 26 32.017 18.524 27.481 1.00 0.00 C ATOM 398 CG ASN A 26 32.360 18.138 26.041 1.00 0.00 C ATOM 399 OD1 ASN A 26 31.728 18.580 25.090 1.00 0.00 O ATOM 400 ND2 ASN A 26 33.373 17.328 25.811 1.00 0.00 N ATOM 0 H ASN A 26 30.851 19.342 29.627 1.00 0.00 H new ATOM 0 HA ASN A 26 31.279 20.465 26.933 1.00 0.00 H new ATOM 0 HB2 ASN A 26 32.921 18.861 27.989 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.661 17.643 28.015 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.619 17.079 24.853 1.00 0.00 H new ATOM 0 HD22 ASN A 26 33.911 16.950 26.591 1.00 0.00 H new ATOM 407 N PRO A 27 29.049 19.811 25.907 1.00 0.00 N ATOM 408 CA PRO A 27 27.821 19.368 25.233 1.00 0.00 C ATOM 409 C PRO A 27 27.997 18.127 24.343 1.00 0.00 C ATOM 410 O PRO A 27 27.004 17.481 24.004 1.00 0.00 O ATOM 411 CB PRO A 27 27.385 20.560 24.376 1.00 0.00 C ATOM 412 CG PRO A 27 28.694 21.279 24.061 1.00 0.00 C ATOM 413 CD PRO A 27 29.506 21.073 25.337 1.00 0.00 C ATOM 0 HA PRO A 27 27.088 19.068 25.982 1.00 0.00 H new ATOM 0 HB2 PRO A 27 26.878 20.235 23.467 1.00 0.00 H new ATOM 0 HB3 PRO A 27 26.692 21.207 24.914 1.00 0.00 H new ATOM 0 HG2 PRO A 27 29.192 20.851 23.191 1.00 0.00 H new ATOM 0 HG3 PRO A 27 28.534 22.336 23.849 1.00 0.00 H new ATOM 0 HD2 PRO A 27 30.573 21.038 25.119 1.00 0.00 H new ATOM 0 HD3 PRO A 27 29.350 21.895 26.035 1.00 0.00 H new ATOM 421 N ALA A 28 29.225 17.794 23.926 1.00 0.00 N ATOM 422 CA ALA A 28 29.489 16.735 22.951 1.00 0.00 C ATOM 423 C ALA A 28 29.783 15.355 23.584 1.00 0.00 C ATOM 424 O ALA A 28 29.720 14.335 22.884 1.00 0.00 O ATOM 425 CB ALA A 28 30.647 17.210 22.062 1.00 0.00 C ATOM 0 H ALA A 28 30.069 18.258 24.261 1.00 0.00 H new ATOM 0 HA ALA A 28 28.586 16.569 22.364 1.00 0.00 H new ATOM 0 HB1 ALA A 28 30.874 16.444 21.320 1.00 0.00 H new ATOM 0 HB2 ALA A 28 30.363 18.133 21.556 1.00 0.00 H new ATOM 0 HB3 ALA A 28 31.528 17.391 22.678 1.00 0.00 H new ATOM 431 N THR A 29 30.084 15.319 24.890 1.00 0.00 N ATOM 432 CA THR A 29 30.396 14.138 25.722 1.00 0.00 C ATOM 433 C THR A 29 30.032 14.482 27.159 1.00 0.00 C ATOM 434 O THR A 29 30.281 15.609 27.573 1.00 0.00 O ATOM 435 CB THR A 29 31.894 13.798 25.664 1.00 0.00 C ATOM 436 OG1 THR A 29 32.258 13.544 24.332 1.00 0.00 O ATOM 437 CG2 THR A 29 32.246 12.542 26.465 1.00 0.00 C ATOM 0 H THR A 29 30.120 16.178 25.438 1.00 0.00 H new ATOM 0 HA THR A 29 29.835 13.278 25.355 1.00 0.00 H new ATOM 0 HB THR A 29 32.424 14.651 26.088 1.00 0.00 H new ATOM 0 HG1 THR A 29 33.213 13.328 24.289 1.00 0.00 H new ATOM 0 HG21 THR A 29 33.316 12.350 26.388 1.00 0.00 H new ATOM 0 HG22 THR A 29 31.978 12.691 27.511 1.00 0.00 H new ATOM 0 HG23 THR A 29 31.695 11.690 26.067 1.00 0.00 H new ATOM 445 N ARG A 30 29.496 13.543 27.945 1.00 0.00 N ATOM 446 CA ARG A 30 29.176 13.800 29.357 1.00 0.00 C ATOM 447 C ARG A 30 30.459 13.991 30.177 1.00 0.00 C ATOM 448 O ARG A 30 31.113 13.016 30.563 1.00 0.00 O ATOM 449 CB ARG A 30 28.294 12.679 29.939 1.00 0.00 C ATOM 450 CG ARG A 30 26.891 12.610 29.313 1.00 0.00 C ATOM 451 CD ARG A 30 25.989 13.815 29.638 1.00 0.00 C ATOM 452 NE ARG A 30 25.487 13.784 31.021 1.00 0.00 N ATOM 453 CZ ARG A 30 24.523 13.009 31.497 1.00 0.00 C ATOM 454 NH1 ARG A 30 23.893 12.098 30.786 1.00 0.00 N ATOM 455 NH2 ARG A 30 24.170 13.144 32.748 1.00 0.00 N ATOM 0 H ARG A 30 29.274 12.599 27.630 1.00 0.00 H new ATOM 0 HA ARG A 30 28.603 14.726 29.414 1.00 0.00 H new ATOM 0 HB2 ARG A 30 28.795 11.722 29.793 1.00 0.00 H new ATOM 0 HB3 ARG A 30 28.196 12.827 31.014 1.00 0.00 H new ATOM 0 HG2 ARG A 30 26.993 12.530 28.231 1.00 0.00 H new ATOM 0 HG3 ARG A 30 26.398 11.700 29.655 1.00 0.00 H new ATOM 0 HD2 ARG A 30 26.548 14.737 29.478 1.00 0.00 H new ATOM 0 HD3 ARG A 30 25.145 13.830 28.948 1.00 0.00 H new ATOM 0 HE ARG A 30 25.926 14.425 31.681 1.00 0.00 H new ATOM 0 HH11 ARG A 30 24.139 11.956 29.806 1.00 0.00 H new ATOM 0 HH12 ARG A 30 23.159 11.534 31.215 1.00 0.00 H new ATOM 0 HH21 ARG A 30 24.634 13.835 33.337 1.00 0.00 H new ATOM 0 HH22 ARG A 30 23.430 12.558 33.135 1.00 0.00 H new ATOM 469 N GLU A 31 30.796 15.251 30.455 1.00 0.00 N ATOM 470 CA GLU A 31 31.934 15.680 31.272 1.00 0.00 C ATOM 471 C GLU A 31 31.793 17.168 31.656 1.00 0.00 C ATOM 472 O GLU A 31 31.227 17.957 30.898 1.00 0.00 O ATOM 473 CB GLU A 31 33.260 15.432 30.517 1.00 0.00 C ATOM 474 CG GLU A 31 34.437 15.082 31.439 1.00 0.00 C ATOM 475 CD GLU A 31 34.355 13.643 31.952 1.00 0.00 C ATOM 476 OE1 GLU A 31 34.853 12.718 31.263 1.00 0.00 O ATOM 477 OE2 GLU A 31 33.768 13.413 33.037 1.00 0.00 O ATOM 0 H GLU A 31 30.256 16.040 30.099 1.00 0.00 H new ATOM 0 HA GLU A 31 31.946 15.092 32.190 1.00 0.00 H new ATOM 0 HB2 GLU A 31 33.115 14.621 29.803 1.00 0.00 H new ATOM 0 HB3 GLU A 31 33.513 16.323 29.942 1.00 0.00 H new ATOM 0 HG2 GLU A 31 35.374 15.222 30.900 1.00 0.00 H new ATOM 0 HG3 GLU A 31 34.451 15.768 32.286 1.00 0.00 H new ATOM 484 N SER A 32 32.316 17.570 32.815 1.00 0.00 N ATOM 485 CA SER A 32 32.456 18.980 33.218 1.00 0.00 C ATOM 486 C SER A 32 33.927 19.428 33.363 1.00 0.00 C ATOM 487 O SER A 32 34.855 18.657 33.110 1.00 0.00 O ATOM 488 CB SER A 32 31.622 19.257 34.485 1.00 0.00 C ATOM 489 OG SER A 32 31.918 18.412 35.586 1.00 0.00 O ATOM 0 H SER A 32 32.662 16.916 33.517 1.00 0.00 H new ATOM 0 HA SER A 32 32.058 19.594 32.410 1.00 0.00 H new ATOM 0 HB2 SER A 32 31.778 20.293 34.787 1.00 0.00 H new ATOM 0 HB3 SER A 32 30.565 19.153 34.238 1.00 0.00 H new ATOM 0 HG SER A 32 31.349 18.654 36.346 1.00 0.00 H new ATOM 495 N ARG A 33 34.150 20.696 33.738 1.00 0.00 N ATOM 496 CA ARG A 33 35.464 21.305 33.956 1.00 0.00 C ATOM 497 C ARG A 33 35.359 22.401 35.034 1.00 0.00 C ATOM 498 O ARG A 33 34.397 23.174 35.069 1.00 0.00 O ATOM 499 CB ARG A 33 36.022 21.830 32.617 1.00 0.00 C ATOM 500 CG ARG A 33 37.555 21.948 32.579 1.00 0.00 C ATOM 501 CD ARG A 33 38.290 20.604 32.447 1.00 0.00 C ATOM 502 NE ARG A 33 37.924 19.890 31.214 1.00 0.00 N ATOM 503 CZ ARG A 33 38.262 18.654 30.875 1.00 0.00 C ATOM 504 NH1 ARG A 33 39.143 17.922 31.523 1.00 0.00 N ATOM 505 NH2 ARG A 33 37.692 18.123 29.823 1.00 0.00 N ATOM 0 H ARG A 33 33.385 21.350 33.904 1.00 0.00 H new ATOM 0 HA ARG A 33 36.170 20.562 34.327 1.00 0.00 H new ATOM 0 HB2 ARG A 33 35.699 21.165 31.816 1.00 0.00 H new ATOM 0 HB3 ARG A 33 35.588 22.809 32.413 1.00 0.00 H new ATOM 0 HG2 ARG A 33 37.838 22.587 31.743 1.00 0.00 H new ATOM 0 HG3 ARG A 33 37.892 22.445 33.488 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.366 20.777 32.459 1.00 0.00 H new ATOM 0 HD3 ARG A 33 38.058 19.979 33.309 1.00 0.00 H new ATOM 0 HE ARG A 33 37.347 20.402 30.547 1.00 0.00 H new ATOM 0 HH11 ARG A 33 39.615 18.300 32.344 1.00 0.00 H new ATOM 0 HH12 ARG A 33 39.354 16.976 31.204 1.00 0.00 H new ATOM 0 HH21 ARG A 33 37.008 18.659 29.289 1.00 0.00 H new ATOM 0 HH22 ARG A 33 37.932 17.174 29.538 1.00 0.00 H new ATOM 519 N TRP A 34 36.349 22.432 35.931 1.00 0.00 N ATOM 520 CA TRP A 34 36.211 22.977 37.298 1.00 0.00 C ATOM 521 C TRP A 34 37.321 23.981 37.660 1.00 0.00 C ATOM 522 O TRP A 34 37.093 24.950 38.382 1.00 0.00 O ATOM 523 CB TRP A 34 36.241 21.785 38.284 1.00 0.00 C ATOM 524 CG TRP A 34 35.783 20.465 37.729 1.00 0.00 C ATOM 525 CD1 TRP A 34 34.528 19.967 37.774 1.00 0.00 C ATOM 526 CD2 TRP A 34 36.555 19.521 36.925 1.00 0.00 C ATOM 527 NE1 TRP A 34 34.471 18.788 37.053 1.00 0.00 N ATOM 528 CE2 TRP A 34 35.692 18.469 36.501 1.00 0.00 C ATOM 529 CE3 TRP A 34 37.885 19.492 36.451 1.00 0.00 C ATOM 530 CZ2 TRP A 34 36.135 17.430 35.669 1.00 0.00 C ATOM 531 CZ3 TRP A 34 38.337 18.453 35.618 1.00 0.00 C ATOM 532 CH2 TRP A 34 37.468 17.421 35.227 1.00 0.00 C ATOM 0 H TRP A 34 37.284 22.076 35.732 1.00 0.00 H new ATOM 0 HA TRP A 34 35.271 23.526 37.357 1.00 0.00 H new ATOM 0 HB2 TRP A 34 37.260 21.669 38.653 1.00 0.00 H new ATOM 0 HB3 TRP A 34 35.617 22.033 39.143 1.00 0.00 H new ATOM 0 HD1 TRP A 34 33.697 20.420 38.293 1.00 0.00 H new ATOM 0 HE1 TRP A 34 33.628 18.224 36.944 1.00 0.00 H new ATOM 0 HE3 TRP A 34 38.566 20.281 36.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 35.457 16.644 35.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 39.361 18.449 35.276 1.00 0.00 H new ATOM 0 HH2 TRP A 34 37.823 16.625 34.590 1.00 0.00 H new ATOM 543 N GLU A 35 38.519 23.750 37.123 1.00 0.00 N ATOM 544 CA GLU A 35 39.753 24.534 37.238 1.00 0.00 C ATOM 545 C GLU A 35 40.490 24.414 35.882 1.00 0.00 C ATOM 546 O GLU A 35 40.159 23.494 35.119 1.00 0.00 O ATOM 547 CB GLU A 35 40.606 23.993 38.405 1.00 0.00 C ATOM 548 CG GLU A 35 40.054 24.399 39.781 1.00 0.00 C ATOM 549 CD GLU A 35 41.038 24.089 40.908 1.00 0.00 C ATOM 550 OE1 GLU A 35 42.143 24.685 40.937 1.00 0.00 O ATOM 551 OE2 GLU A 35 40.715 23.258 41.790 1.00 0.00 O ATOM 0 H GLU A 35 38.666 22.928 36.538 1.00 0.00 H new ATOM 0 HA GLU A 35 39.549 25.583 37.454 1.00 0.00 H new ATOM 0 HB2 GLU A 35 40.652 22.906 38.343 1.00 0.00 H new ATOM 0 HB3 GLU A 35 41.627 24.361 38.305 1.00 0.00 H new ATOM 0 HG2 GLU A 35 39.828 25.465 39.780 1.00 0.00 H new ATOM 0 HG3 GLU A 35 39.116 23.875 39.964 1.00 0.00 H new ATOM 558 N PRO A 36 41.429 25.315 35.525 1.00 0.00 N ATOM 559 CA PRO A 36 41.945 25.397 34.159 1.00 0.00 C ATOM 560 C PRO A 36 42.777 24.154 33.767 1.00 0.00 C ATOM 561 O PRO A 36 43.782 23.874 34.424 1.00 0.00 O ATOM 562 CB PRO A 36 42.763 26.691 34.098 1.00 0.00 C ATOM 563 CG PRO A 36 43.142 26.962 35.548 1.00 0.00 C ATOM 564 CD PRO A 36 41.944 26.420 36.323 1.00 0.00 C ATOM 0 HA PRO A 36 41.131 25.414 33.434 1.00 0.00 H new ATOM 0 HB2 PRO A 36 43.647 26.574 33.471 1.00 0.00 H new ATOM 0 HB3 PRO A 36 42.180 27.511 33.679 1.00 0.00 H new ATOM 0 HG2 PRO A 36 44.066 26.454 35.825 1.00 0.00 H new ATOM 0 HG3 PRO A 36 43.295 28.025 35.733 1.00 0.00 H new ATOM 0 HD2 PRO A 36 42.240 26.082 37.316 1.00 0.00 H new ATOM 0 HD3 PRO A 36 41.186 27.190 36.462 1.00 0.00 H new ATOM 572 N PRO A 37 42.396 23.416 32.701 1.00 0.00 N ATOM 573 CA PRO A 37 43.104 22.221 32.235 1.00 0.00 C ATOM 574 C PRO A 37 44.372 22.580 31.450 1.00 0.00 C ATOM 575 O PRO A 37 44.528 23.711 31.000 1.00 0.00 O ATOM 576 CB PRO A 37 42.101 21.487 31.343 1.00 0.00 C ATOM 577 CG PRO A 37 41.241 22.603 30.771 1.00 0.00 C ATOM 578 CD PRO A 37 41.203 23.635 31.894 1.00 0.00 C ATOM 0 HA PRO A 37 43.440 21.608 33.071 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.603 20.925 30.555 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.505 20.775 31.913 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.674 23.017 29.860 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.242 22.250 30.517 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.189 24.647 31.490 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.302 23.520 32.496 1.00 0.00 H new ATOM 586 N ALA A 38 45.263 21.607 31.228 1.00 0.00 N ATOM 587 CA ALA A 38 46.509 21.810 30.478 1.00 0.00 C ATOM 588 C ALA A 38 46.286 22.362 29.052 1.00 0.00 C ATOM 589 O ALA A 38 46.992 23.278 28.623 1.00 0.00 O ATOM 590 CB ALA A 38 47.268 20.476 30.459 1.00 0.00 C ATOM 0 H ALA A 38 45.140 20.652 31.565 1.00 0.00 H new ATOM 0 HA ALA A 38 47.098 22.578 30.979 1.00 0.00 H new ATOM 0 HB1 ALA A 38 48.200 20.596 29.907 1.00 0.00 H new ATOM 0 HB2 ALA A 38 47.488 20.168 31.481 1.00 0.00 H new ATOM 0 HB3 ALA A 38 46.655 19.716 29.975 1.00 0.00 H new ATOM 596 N ASP A 39 45.268 21.857 28.346 1.00 0.00 N ATOM 597 CA ASP A 39 44.905 22.253 26.976 1.00 0.00 C ATOM 598 C ASP A 39 44.281 23.665 26.861 1.00 0.00 C ATOM 599 O ASP A 39 43.941 24.093 25.758 1.00 0.00 O ATOM 600 CB ASP A 39 43.968 21.169 26.407 1.00 0.00 C ATOM 601 CG ASP A 39 43.751 21.273 24.895 1.00 0.00 C ATOM 602 OD1 ASP A 39 44.753 21.253 24.145 1.00 0.00 O ATOM 603 OD2 ASP A 39 42.585 21.339 24.434 1.00 0.00 O ATOM 0 H ASP A 39 44.652 21.137 28.723 1.00 0.00 H new ATOM 0 HA ASP A 39 45.822 22.325 26.391 1.00 0.00 H new ATOM 0 HB2 ASP A 39 44.380 20.187 26.639 1.00 0.00 H new ATOM 0 HB3 ASP A 39 43.003 21.236 26.909 1.00 0.00 H new ATOM 608 N THR A 40 44.102 24.392 27.972 1.00 0.00 N ATOM 609 CA THR A 40 43.567 25.765 27.987 1.00 0.00 C ATOM 610 C THR A 40 44.674 26.799 27.757 1.00 0.00 C ATOM 611 O THR A 40 45.844 26.514 28.008 1.00 0.00 O ATOM 612 CB THR A 40 42.788 25.958 29.287 1.00 0.00 C ATOM 613 OG1 THR A 40 41.681 26.770 29.054 1.00 0.00 O ATOM 614 CG2 THR A 40 43.561 26.595 30.434 1.00 0.00 C ATOM 0 H THR A 40 44.328 24.039 28.902 1.00 0.00 H new ATOM 0 HA THR A 40 42.876 25.922 27.158 1.00 0.00 H new ATOM 0 HB THR A 40 42.530 24.944 29.594 1.00 0.00 H new ATOM 0 HG1 THR A 40 41.799 27.249 28.207 1.00 0.00 H new ATOM 0 HG21 THR A 40 42.912 26.684 31.305 1.00 0.00 H new ATOM 0 HG22 THR A 40 44.420 25.973 30.684 1.00 0.00 H new ATOM 0 HG23 THR A 40 43.905 27.585 30.135 1.00 0.00 H new ATOM 622 N ASP A 41 44.325 28.001 27.287 1.00 0.00 N ATOM 623 CA ASP A 41 45.321 28.925 26.697 1.00 0.00 C ATOM 624 C ASP A 41 45.983 29.839 27.736 1.00 0.00 C ATOM 625 O ASP A 41 47.116 30.295 27.575 1.00 0.00 O ATOM 626 CB ASP A 41 44.622 29.798 25.647 1.00 0.00 C ATOM 627 CG ASP A 41 45.623 30.657 24.874 1.00 0.00 C ATOM 628 OD1 ASP A 41 46.409 30.091 24.079 1.00 0.00 O ATOM 629 OD2 ASP A 41 45.641 31.891 25.093 1.00 0.00 O ATOM 0 H ASP A 41 43.371 28.362 27.299 1.00 0.00 H new ATOM 0 HA ASP A 41 46.108 28.314 26.255 1.00 0.00 H new ATOM 0 HB2 ASP A 41 44.073 29.163 24.952 1.00 0.00 H new ATOM 0 HB3 ASP A 41 43.891 30.441 26.136 1.00 0.00 H new ATOM 634 N MET A 42 45.214 30.124 28.787 1.00 0.00 N ATOM 635 CA MET A 42 45.522 30.900 29.992 1.00 0.00 C ATOM 636 C MET A 42 45.691 32.396 29.733 1.00 0.00 C ATOM 637 O MET A 42 45.042 33.173 30.425 1.00 0.00 O ATOM 638 CB MET A 42 46.673 30.262 30.770 1.00 0.00 C ATOM 639 CG MET A 42 46.199 28.890 31.268 1.00 0.00 C ATOM 640 SD MET A 42 47.493 28.004 32.177 1.00 0.00 S ATOM 641 CE MET A 42 46.477 26.770 33.019 1.00 0.00 C ATOM 0 H MET A 42 44.254 29.780 28.820 1.00 0.00 H new ATOM 0 HA MET A 42 44.646 30.856 30.639 1.00 0.00 H new ATOM 0 HB2 MET A 42 47.551 30.155 30.133 1.00 0.00 H new ATOM 0 HB3 MET A 42 46.963 30.894 31.610 1.00 0.00 H new ATOM 0 HG2 MET A 42 45.330 29.020 31.912 1.00 0.00 H new ATOM 0 HG3 MET A 42 45.878 28.288 30.418 1.00 0.00 H new ATOM 0 HE1 MET A 42 47.120 26.087 33.574 1.00 0.00 H new ATOM 0 HE2 MET A 42 45.796 27.269 33.709 1.00 0.00 H new ATOM 0 HE3 MET A 42 45.901 26.209 32.283 1.00 0.00 H new ATOM 651 N GLU A 43 46.393 32.815 28.681 1.00 0.00 N ATOM 652 CA GLU A 43 46.450 34.213 28.238 1.00 0.00 C ATOM 653 C GLU A 43 45.033 34.764 27.970 1.00 0.00 C ATOM 654 O GLU A 43 44.633 35.755 28.588 1.00 0.00 O ATOM 655 CB GLU A 43 47.388 34.303 27.022 1.00 0.00 C ATOM 656 CG GLU A 43 47.501 35.708 26.421 1.00 0.00 C ATOM 657 CD GLU A 43 48.572 35.760 25.328 1.00 0.00 C ATOM 658 OE1 GLU A 43 48.475 34.994 24.337 1.00 0.00 O ATOM 659 OE2 GLU A 43 49.522 36.576 25.453 1.00 0.00 O ATOM 0 H GLU A 43 46.948 32.185 28.102 1.00 0.00 H new ATOM 0 HA GLU A 43 46.861 34.849 29.022 1.00 0.00 H new ATOM 0 HB2 GLU A 43 48.381 33.965 27.317 1.00 0.00 H new ATOM 0 HB3 GLU A 43 47.034 33.618 26.252 1.00 0.00 H new ATOM 0 HG2 GLU A 43 46.539 36.007 26.005 1.00 0.00 H new ATOM 0 HG3 GLU A 43 47.745 36.424 27.206 1.00 0.00 H new ATOM 666 N THR A 44 44.221 34.071 27.157 1.00 0.00 N ATOM 667 CA THR A 44 42.792 34.397 26.936 1.00 0.00 C ATOM 668 C THR A 44 41.884 34.000 28.108 1.00 0.00 C ATOM 669 O THR A 44 40.675 34.199 28.036 1.00 0.00 O ATOM 670 CB THR A 44 42.289 33.760 25.630 1.00 0.00 C ATOM 671 OG1 THR A 44 43.273 33.861 24.637 1.00 0.00 O ATOM 672 CG2 THR A 44 41.046 34.430 25.041 1.00 0.00 C ATOM 0 H THR A 44 44.535 33.259 26.626 1.00 0.00 H new ATOM 0 HA THR A 44 42.737 35.483 26.859 1.00 0.00 H new ATOM 0 HB THR A 44 42.048 32.732 25.901 1.00 0.00 H new ATOM 0 HG1 THR A 44 43.937 33.151 24.761 1.00 0.00 H new ATOM 0 HG21 THR A 44 40.758 33.919 24.122 1.00 0.00 H new ATOM 0 HG22 THR A 44 40.228 34.374 25.759 1.00 0.00 H new ATOM 0 HG23 THR A 44 41.265 35.475 24.822 1.00 0.00 H new ATOM 680 N LEU A 45 42.412 33.440 29.205 1.00 0.00 N ATOM 681 CA LEU A 45 41.625 33.243 30.428 1.00 0.00 C ATOM 682 C LEU A 45 41.939 34.230 31.524 1.00 0.00 C ATOM 683 O LEU A 45 41.094 34.401 32.396 1.00 0.00 O ATOM 684 CB LEU A 45 41.780 31.860 31.055 1.00 0.00 C ATOM 685 CG LEU A 45 41.085 30.698 30.351 1.00 0.00 C ATOM 686 CD1 LEU A 45 39.659 30.840 29.832 1.00 0.00 C ATOM 687 CD2 LEU A 45 42.073 30.113 29.359 1.00 0.00 C ATOM 0 H LEU A 45 43.377 33.117 29.270 1.00 0.00 H new ATOM 0 HA LEU A 45 40.608 33.384 30.062 1.00 0.00 H new ATOM 0 HB2 LEU A 45 42.844 31.632 31.114 1.00 0.00 H new ATOM 0 HB3 LEU A 45 41.407 31.908 32.078 1.00 0.00 H new ATOM 0 HG LEU A 45 40.830 29.998 31.147 1.00 0.00 H new ATOM 0 HD11 LEU A 45 39.347 29.906 29.365 1.00 0.00 H new ATOM 0 HD12 LEU A 45 38.991 31.071 30.662 1.00 0.00 H new ATOM 0 HD13 LEU A 45 39.617 31.644 29.098 1.00 0.00 H new ATOM 0 HD21 LEU A 45 41.610 29.277 28.835 1.00 0.00 H new ATOM 0 HD22 LEU A 45 42.361 30.878 28.638 1.00 0.00 H new ATOM 0 HD23 LEU A 45 42.958 29.763 29.890 1.00 0.00 H new ATOM 699 N LYS A 46 43.103 34.875 31.550 1.00 0.00 N ATOM 700 CA LYS A 46 43.374 35.758 32.678 1.00 0.00 C ATOM 701 C LYS A 46 42.448 36.999 32.649 1.00 0.00 C ATOM 702 O LYS A 46 42.176 37.595 33.687 1.00 0.00 O ATOM 703 CB LYS A 46 44.863 36.172 32.703 1.00 0.00 C ATOM 704 CG LYS A 46 45.761 35.439 33.713 1.00 0.00 C ATOM 705 CD LYS A 46 46.171 34.008 33.327 1.00 0.00 C ATOM 706 CE LYS A 46 45.115 32.926 33.602 1.00 0.00 C ATOM 707 NZ LYS A 46 44.909 32.748 35.060 1.00 0.00 N ATOM 0 H LYS A 46 43.837 34.810 30.844 1.00 0.00 H new ATOM 0 HA LYS A 46 43.162 35.210 33.596 1.00 0.00 H new ATOM 0 HB2 LYS A 46 45.276 36.020 31.706 1.00 0.00 H new ATOM 0 HB3 LYS A 46 44.917 37.241 32.911 1.00 0.00 H new ATOM 0 HG2 LYS A 46 46.666 36.029 33.861 1.00 0.00 H new ATOM 0 HG3 LYS A 46 45.243 35.403 34.672 1.00 0.00 H new ATOM 0 HD2 LYS A 46 46.416 33.992 32.265 1.00 0.00 H new ATOM 0 HD3 LYS A 46 47.081 33.750 33.868 1.00 0.00 H new ATOM 0 HE2 LYS A 46 44.173 33.202 33.128 1.00 0.00 H new ATOM 0 HE3 LYS A 46 45.431 31.982 33.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 44.353 31.886 35.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 45.831 32.664 35.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 44.398 33.570 35.441 1.00 0.00 H new ATOM 721 N MET A 47 41.928 37.338 31.460 1.00 0.00 N ATOM 722 CA MET A 47 40.858 38.317 31.195 1.00 0.00 C ATOM 723 C MET A 47 39.432 37.820 31.521 1.00 0.00 C ATOM 724 O MET A 47 38.467 38.569 31.362 1.00 0.00 O ATOM 725 CB MET A 47 40.949 38.729 29.711 1.00 0.00 C ATOM 726 CG MET A 47 40.585 37.612 28.717 1.00 0.00 C ATOM 727 SD MET A 47 40.497 38.132 26.982 1.00 0.00 S ATOM 728 CE MET A 47 42.230 38.596 26.727 1.00 0.00 C ATOM 0 H MET A 47 42.265 36.908 30.599 1.00 0.00 H new ATOM 0 HA MET A 47 41.020 39.161 31.866 1.00 0.00 H new ATOM 0 HB2 MET A 47 40.288 39.579 29.541 1.00 0.00 H new ATOM 0 HB3 MET A 47 41.964 39.068 29.502 1.00 0.00 H new ATOM 0 HG2 MET A 47 41.322 36.813 28.805 1.00 0.00 H new ATOM 0 HG3 MET A 47 39.622 37.190 29.004 1.00 0.00 H new ATOM 0 HE1 MET A 47 42.415 38.739 25.663 1.00 0.00 H new ATOM 0 HE2 MET A 47 42.441 39.523 27.260 1.00 0.00 H new ATOM 0 HE3 MET A 47 42.878 37.805 27.105 1.00 0.00 H new ATOM 738 N TYR A 48 39.291 36.542 31.881 1.00 0.00 N ATOM 739 CA TYR A 48 38.026 35.816 32.018 1.00 0.00 C ATOM 740 C TYR A 48 37.817 35.214 33.419 1.00 0.00 C ATOM 741 O TYR A 48 36.802 35.470 34.069 1.00 0.00 O ATOM 742 CB TYR A 48 38.027 34.688 30.972 1.00 0.00 C ATOM 743 CG TYR A 48 36.855 33.746 31.107 1.00 0.00 C ATOM 744 CD1 TYR A 48 35.539 34.184 30.870 1.00 0.00 C ATOM 745 CD2 TYR A 48 37.098 32.414 31.483 1.00 0.00 C ATOM 746 CE1 TYR A 48 34.470 33.277 30.980 1.00 0.00 C ATOM 747 CE2 TYR A 48 36.036 31.502 31.593 1.00 0.00 C ATOM 748 CZ TYR A 48 34.711 31.935 31.347 1.00 0.00 C ATOM 749 OH TYR A 48 33.670 31.062 31.425 1.00 0.00 O ATOM 0 H TYR A 48 40.097 35.956 32.096 1.00 0.00 H new ATOM 0 HA TYR A 48 37.209 36.521 31.865 1.00 0.00 H new ATOM 0 HB2 TYR A 48 38.018 35.127 29.974 1.00 0.00 H new ATOM 0 HB3 TYR A 48 38.953 34.120 31.062 1.00 0.00 H new ATOM 0 HD1 TYR A 48 35.350 35.214 30.604 1.00 0.00 H new ATOM 0 HD2 TYR A 48 38.107 32.090 31.689 1.00 0.00 H new ATOM 0 HE1 TYR A 48 33.461 33.608 30.783 1.00 0.00 H new ATOM 0 HE2 TYR A 48 36.229 30.475 31.864 1.00 0.00 H new ATOM 0 HH TYR A 48 33.830 30.426 32.153 1.00 0.00 H new ATOM 759 N MET A 49 38.744 34.356 33.864 1.00 0.00 N ATOM 760 CA MET A 49 38.660 33.609 35.123 1.00 0.00 C ATOM 761 C MET A 49 38.762 34.549 36.334 1.00 0.00 C ATOM 762 O MET A 49 37.871 34.529 37.189 1.00 0.00 O ATOM 763 CB MET A 49 39.700 32.471 35.109 1.00 0.00 C ATOM 764 CG MET A 49 39.322 31.444 34.038 1.00 0.00 C ATOM 765 SD MET A 49 40.054 29.795 34.201 1.00 0.00 S ATOM 766 CE MET A 49 39.059 29.216 35.601 1.00 0.00 C ATOM 0 H MET A 49 39.597 34.158 33.342 1.00 0.00 H new ATOM 0 HA MET A 49 37.681 33.139 35.220 1.00 0.00 H new ATOM 0 HB2 MET A 49 40.692 32.874 34.907 1.00 0.00 H new ATOM 0 HB3 MET A 49 39.744 31.992 36.087 1.00 0.00 H new ATOM 0 HG2 MET A 49 38.237 31.337 34.037 1.00 0.00 H new ATOM 0 HG3 MET A 49 39.603 31.847 33.065 1.00 0.00 H new ATOM 0 HE1 MET A 49 39.711 29.009 36.450 1.00 0.00 H new ATOM 0 HE2 MET A 49 38.337 29.985 35.877 1.00 0.00 H new ATOM 0 HE3 MET A 49 38.530 28.306 35.320 1.00 0.00 H new ATOM 776 N ALA A 50 39.740 35.457 36.340 1.00 0.00 N ATOM 777 CA ALA A 50 39.599 36.771 36.976 1.00 0.00 C ATOM 778 C ALA A 50 39.017 37.755 35.945 1.00 0.00 C ATOM 779 O ALA A 50 39.341 37.652 34.761 1.00 0.00 O ATOM 780 CB ALA A 50 40.969 37.228 37.486 1.00 0.00 C ATOM 0 H ALA A 50 40.650 35.304 35.906 1.00 0.00 H new ATOM 0 HA ALA A 50 38.921 36.725 37.828 1.00 0.00 H new ATOM 0 HB1 ALA A 50 40.873 38.205 37.961 1.00 0.00 H new ATOM 0 HB2 ALA A 50 41.346 36.507 38.212 1.00 0.00 H new ATOM 0 HB3 ALA A 50 41.664 37.298 36.649 1.00 0.00 H new ATOM 786 N THR A 51 38.154 38.687 36.370 1.00 0.00 N ATOM 787 CA THR A 51 37.478 39.621 35.451 1.00 0.00 C ATOM 788 C THR A 51 38.402 40.751 34.981 1.00 0.00 C ATOM 789 O THR A 51 39.536 40.887 35.446 1.00 0.00 O ATOM 790 CB THR A 51 36.153 40.107 36.061 1.00 0.00 C ATOM 791 OG1 THR A 51 35.313 40.540 35.015 1.00 0.00 O ATOM 792 CG2 THR A 51 36.310 41.247 37.070 1.00 0.00 C ATOM 0 H THR A 51 37.904 38.817 37.350 1.00 0.00 H new ATOM 0 HA THR A 51 37.223 39.084 34.537 1.00 0.00 H new ATOM 0 HB THR A 51 35.731 39.265 36.610 1.00 0.00 H new ATOM 0 HG1 THR A 51 34.462 40.852 35.387 1.00 0.00 H new ATOM 0 HG21 THR A 51 35.330 41.531 37.453 1.00 0.00 H new ATOM 0 HG22 THR A 51 36.941 40.918 37.896 1.00 0.00 H new ATOM 0 HG23 THR A 51 36.771 42.105 36.581 1.00 0.00 H new