USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 403 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 180:sc= 0 USER MOD Set 1.2: A 48 TYR OH : rot 164:sc= 0.127 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 5 THR OG1 : rot 34:sc= 0.122 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 USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.079) USER MOD Single : A 20 ASN : amide:sc= 0.0481 K(o=0.048,f=-1) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.473 K(o=0.47,f=-0.5) USER MOD Single : A 29 THR OG1 : rot 33:sc= 0.946 USER MOD Single : A 32 SER OG : rot 70:sc= 0.11 USER MOD Single : A 40 THR OG1 : rot -13:sc= 0.242 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 116:sc= 1.25 USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.0335 (180deg=-0.294) USER MOD Single : A 47 MET CE :methyl -179:sc= 0 (180deg=-0.00258) USER MOD Single : A 49 MET CE :methyl -173:sc= -0.0019 (180deg=-0.101) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.0626 K(o=-0.063,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 24.654 38.208 30.156 1.00 0.00 N ATOM 2 CA SER A 1 25.890 38.417 29.377 1.00 0.00 C ATOM 3 C SER A 1 26.462 37.092 28.907 1.00 0.00 C ATOM 4 O SER A 1 26.595 36.166 29.712 1.00 0.00 O ATOM 5 CB SER A 1 26.961 39.140 30.190 1.00 0.00 C ATOM 6 OG SER A 1 26.505 40.420 30.575 1.00 0.00 O ATOM 0 H1 SER A 1 24.280 39.127 30.467 1.00 0.00 H new ATOM 0 H2 SER A 1 23.946 37.729 29.563 1.00 0.00 H new ATOM 0 H3 SER A 1 24.863 37.620 30.988 1.00 0.00 H new ATOM 0 HA SER A 1 25.615 39.034 28.521 1.00 0.00 H new ATOM 0 HB2 SER A 1 27.212 38.555 31.075 1.00 0.00 H new ATOM 0 HB3 SER A 1 27.873 39.234 29.600 1.00 0.00 H new ATOM 0 HG SER A 1 27.201 40.872 31.097 1.00 0.00 H new ATOM 12 N MET A 2 26.870 37.006 27.640 1.00 0.00 N ATOM 13 CA MET A 2 27.738 35.931 27.132 1.00 0.00 C ATOM 14 C MET A 2 29.201 36.191 27.537 1.00 0.00 C ATOM 15 O MET A 2 29.533 37.312 27.933 1.00 0.00 O ATOM 16 CB MET A 2 27.617 35.828 25.600 1.00 0.00 C ATOM 17 CG MET A 2 26.193 35.557 25.096 1.00 0.00 C ATOM 18 SD MET A 2 25.411 34.033 25.690 1.00 0.00 S ATOM 19 CE MET A 2 24.006 34.048 24.545 1.00 0.00 C ATOM 0 H MET A 2 26.607 37.686 26.926 1.00 0.00 H new ATOM 0 HA MET A 2 27.418 34.986 27.571 1.00 0.00 H new ATOM 0 HB2 MET A 2 27.977 36.756 25.156 1.00 0.00 H new ATOM 0 HB3 MET A 2 28.272 35.031 25.248 1.00 0.00 H new ATOM 0 HG2 MET A 2 25.563 36.399 25.381 1.00 0.00 H new ATOM 0 HG3 MET A 2 26.215 35.529 24.007 1.00 0.00 H new ATOM 0 HE1 MET A 2 23.374 33.180 24.733 1.00 0.00 H new ATOM 0 HE2 MET A 2 23.425 34.958 24.693 1.00 0.00 H new ATOM 0 HE3 MET A 2 24.372 34.015 23.519 1.00 0.00 H new ATOM 29 N VAL A 3 30.069 35.184 27.428 1.00 0.00 N ATOM 30 CA VAL A 3 31.516 35.285 27.700 1.00 0.00 C ATOM 31 C VAL A 3 32.351 34.445 26.719 1.00 0.00 C ATOM 32 O VAL A 3 32.043 33.281 26.467 1.00 0.00 O ATOM 33 CB VAL A 3 31.875 34.892 29.157 1.00 0.00 C ATOM 34 CG1 VAL A 3 31.368 35.937 30.168 1.00 0.00 C ATOM 35 CG2 VAL A 3 31.366 33.497 29.573 1.00 0.00 C ATOM 0 H VAL A 3 29.784 34.248 27.141 1.00 0.00 H new ATOM 0 HA VAL A 3 31.766 36.336 27.558 1.00 0.00 H new ATOM 0 HB VAL A 3 32.964 34.859 29.173 1.00 0.00 H new ATOM 0 HG11 VAL A 3 31.638 35.627 31.178 1.00 0.00 H new ATOM 0 HG12 VAL A 3 31.823 36.904 29.951 1.00 0.00 H new ATOM 0 HG13 VAL A 3 30.284 36.021 30.092 1.00 0.00 H new ATOM 0 HG21 VAL A 3 31.657 33.296 30.604 1.00 0.00 H new ATOM 0 HG22 VAL A 3 30.280 33.466 29.490 1.00 0.00 H new ATOM 0 HG23 VAL A 3 31.801 32.741 28.919 1.00 0.00 H new ATOM 45 N ASN A 4 33.444 35.025 26.206 1.00 0.00 N ATOM 46 CA ASN A 4 34.519 34.292 25.523 1.00 0.00 C ATOM 47 C ASN A 4 35.482 33.669 26.546 1.00 0.00 C ATOM 48 O ASN A 4 35.893 34.335 27.504 1.00 0.00 O ATOM 49 CB ASN A 4 35.297 35.210 24.561 1.00 0.00 C ATOM 50 CG ASN A 4 34.429 35.715 23.413 1.00 0.00 C ATOM 51 OD1 ASN A 4 33.685 34.954 22.803 1.00 0.00 O ATOM 52 ND2 ASN A 4 34.474 36.989 23.084 1.00 0.00 N ATOM 0 H ASN A 4 33.609 36.030 26.254 1.00 0.00 H new ATOM 0 HA ASN A 4 34.057 33.496 24.939 1.00 0.00 H new ATOM 0 HB2 ASN A 4 35.693 36.061 25.115 1.00 0.00 H new ATOM 0 HB3 ASN A 4 36.151 34.668 24.156 1.00 0.00 H new ATOM 0 HD21 ASN A 4 33.891 37.340 22.324 1.00 0.00 H new ATOM 0 HD22 ASN A 4 35.091 37.625 23.589 1.00 0.00 H new ATOM 59 N THR A 5 35.872 32.408 26.324 1.00 0.00 N ATOM 60 CA THR A 5 36.802 31.639 27.162 1.00 0.00 C ATOM 61 C THR A 5 37.791 30.934 26.257 1.00 0.00 C ATOM 62 O THR A 5 37.429 30.201 25.337 1.00 0.00 O ATOM 63 CB THR A 5 36.072 30.605 28.029 1.00 0.00 C ATOM 64 OG1 THR A 5 35.301 29.716 27.262 1.00 0.00 O ATOM 65 CG2 THR A 5 35.200 31.298 29.061 1.00 0.00 C ATOM 0 H THR A 5 35.535 31.873 25.523 1.00 0.00 H new ATOM 0 HA THR A 5 37.312 32.328 27.836 1.00 0.00 H new ATOM 0 HB THR A 5 36.836 30.018 28.538 1.00 0.00 H new ATOM 0 HG1 THR A 5 35.745 29.555 26.403 1.00 0.00 H new ATOM 0 HG21 THR A 5 34.689 30.550 29.667 1.00 0.00 H new ATOM 0 HG22 THR A 5 35.822 31.922 29.703 1.00 0.00 H new ATOM 0 HG23 THR A 5 34.462 31.920 28.555 1.00 0.00 H new ATOM 73 N GLY A 6 39.061 31.040 26.622 1.00 0.00 N ATOM 74 CA GLY A 6 40.098 30.098 26.219 1.00 0.00 C ATOM 75 C GLY A 6 39.958 28.682 26.783 1.00 0.00 C ATOM 76 O GLY A 6 40.944 27.952 26.817 1.00 0.00 O ATOM 0 H GLY A 6 39.406 31.794 27.216 1.00 0.00 H new ATOM 0 HA2 GLY A 6 40.106 30.038 25.131 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.065 30.497 26.523 1.00 0.00 H new ATOM 80 N LEU A 7 38.792 28.284 27.305 1.00 0.00 N ATOM 81 CA LEU A 7 38.617 26.968 27.919 1.00 0.00 C ATOM 82 C LEU A 7 38.730 25.849 26.854 1.00 0.00 C ATOM 83 O LEU A 7 38.529 26.149 25.667 1.00 0.00 O ATOM 84 CB LEU A 7 37.307 26.946 28.722 1.00 0.00 C ATOM 85 CG LEU A 7 37.447 27.609 30.113 1.00 0.00 C ATOM 86 CD1 LEU A 7 36.054 27.861 30.702 1.00 0.00 C ATOM 87 CD2 LEU A 7 38.231 26.720 31.094 1.00 0.00 C ATOM 0 H LEU A 7 37.951 28.861 27.313 1.00 0.00 H new ATOM 0 HA LEU A 7 39.419 26.770 28.630 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.530 27.460 28.156 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.980 25.914 28.847 1.00 0.00 H new ATOM 0 HG LEU A 7 37.991 28.544 29.977 1.00 0.00 H new ATOM 0 HD11 LEU A 7 36.152 28.328 31.682 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.493 28.521 30.040 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.525 26.913 30.803 1.00 0.00 H new ATOM 0 HD21 LEU A 7 38.307 27.222 32.059 1.00 0.00 H new ATOM 0 HD22 LEU A 7 37.711 25.770 31.219 1.00 0.00 H new ATOM 0 HD23 LEU A 7 39.231 26.538 30.700 1.00 0.00 H new ATOM 99 N PRO A 8 39.070 24.596 27.234 1.00 0.00 N ATOM 100 CA PRO A 8 39.215 23.485 26.292 1.00 0.00 C ATOM 101 C PRO A 8 37.831 22.910 25.938 1.00 0.00 C ATOM 102 O PRO A 8 36.914 23.670 25.638 1.00 0.00 O ATOM 103 CB PRO A 8 40.165 22.528 27.016 1.00 0.00 C ATOM 104 CG PRO A 8 39.656 22.619 28.446 1.00 0.00 C ATOM 105 CD PRO A 8 39.376 24.118 28.589 1.00 0.00 C ATOM 0 HA PRO A 8 39.629 23.748 25.319 1.00 0.00 H new ATOM 0 HB2 PRO A 8 40.103 21.513 26.623 1.00 0.00 H new ATOM 0 HB3 PRO A 8 41.206 22.840 26.930 1.00 0.00 H new ATOM 0 HG2 PRO A 8 38.758 22.020 28.599 1.00 0.00 H new ATOM 0 HG3 PRO A 8 40.397 22.272 29.166 1.00 0.00 H new ATOM 0 HD2 PRO A 8 38.540 24.297 29.266 1.00 0.00 H new ATOM 0 HD3 PRO A 8 40.239 24.640 29.003 1.00 0.00 H new ATOM 113 N ALA A 9 37.656 21.587 25.963 1.00 0.00 N ATOM 114 CA ALA A 9 36.384 20.923 25.654 1.00 0.00 C ATOM 115 C ALA A 9 35.258 21.218 26.670 1.00 0.00 C ATOM 116 O ALA A 9 34.086 21.191 26.295 1.00 0.00 O ATOM 117 CB ALA A 9 36.654 19.417 25.535 1.00 0.00 C ATOM 0 H ALA A 9 38.404 20.936 26.202 1.00 0.00 H new ATOM 0 HA ALA A 9 36.010 21.326 24.713 1.00 0.00 H new ATOM 0 HB1 ALA A 9 35.724 18.898 25.305 1.00 0.00 H new ATOM 0 HB2 ALA A 9 37.376 19.239 24.738 1.00 0.00 H new ATOM 0 HB3 ALA A 9 37.055 19.044 26.477 1.00 0.00 H new ATOM 123 N GLY A 10 35.596 21.543 27.924 1.00 0.00 N ATOM 124 CA GLY A 10 34.676 21.928 28.998 1.00 0.00 C ATOM 125 C GLY A 10 34.710 23.438 29.180 1.00 0.00 C ATOM 126 O GLY A 10 35.505 23.947 29.967 1.00 0.00 O ATOM 0 H GLY A 10 36.569 21.544 28.231 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.664 21.603 28.758 1.00 0.00 H new ATOM 0 HA3 GLY A 10 34.958 21.433 29.927 1.00 0.00 H new ATOM 130 N TRP A 11 33.886 24.137 28.399 1.00 0.00 N ATOM 131 CA TRP A 11 33.951 25.597 28.231 1.00 0.00 C ATOM 132 C TRP A 11 32.656 26.391 28.470 1.00 0.00 C ATOM 133 O TRP A 11 32.732 27.562 28.836 1.00 0.00 O ATOM 134 CB TRP A 11 34.472 25.881 26.815 1.00 0.00 C ATOM 135 CG TRP A 11 33.609 25.382 25.688 1.00 0.00 C ATOM 136 CD1 TRP A 11 33.725 24.183 25.076 1.00 0.00 C ATOM 137 CD2 TRP A 11 32.484 26.044 25.031 1.00 0.00 C ATOM 138 NE1 TRP A 11 32.746 24.038 24.115 1.00 0.00 N ATOM 139 CE2 TRP A 11 31.932 25.149 24.065 1.00 0.00 C ATOM 140 CE3 TRP A 11 31.871 27.308 25.159 1.00 0.00 C ATOM 141 CZ2 TRP A 11 30.805 25.478 23.299 1.00 0.00 C ATOM 142 CZ3 TRP A 11 30.762 27.657 24.367 1.00 0.00 C ATOM 143 CH2 TRP A 11 30.219 26.744 23.448 1.00 0.00 C ATOM 0 H TRP A 11 33.141 23.702 27.855 1.00 0.00 H new ATOM 0 HA TRP A 11 34.613 25.950 29.021 1.00 0.00 H new ATOM 0 HB2 TRP A 11 34.596 26.958 26.703 1.00 0.00 H new ATOM 0 HB3 TRP A 11 35.461 25.434 26.716 1.00 0.00 H new ATOM 0 HD1 TRP A 11 34.477 23.443 25.306 1.00 0.00 H new ATOM 0 HE1 TRP A 11 32.639 23.217 23.520 1.00 0.00 H new ATOM 0 HE3 TRP A 11 32.258 28.018 25.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 30.392 24.764 22.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 30.323 28.639 24.467 1.00 0.00 H new ATOM 0 HH2 TRP A 11 29.355 27.015 22.859 1.00 0.00 H new ATOM 154 N GLU A 12 31.479 25.800 28.258 1.00 0.00 N ATOM 155 CA GLU A 12 30.217 26.554 28.220 1.00 0.00 C ATOM 156 C GLU A 12 29.674 26.766 29.642 1.00 0.00 C ATOM 157 O GLU A 12 29.263 25.805 30.286 1.00 0.00 O ATOM 158 CB GLU A 12 29.208 25.828 27.310 1.00 0.00 C ATOM 159 CG GLU A 12 27.844 26.520 27.161 1.00 0.00 C ATOM 160 CD GLU A 12 27.860 27.799 26.317 1.00 0.00 C ATOM 161 OE1 GLU A 12 28.423 28.832 26.752 1.00 0.00 O ATOM 162 OE2 GLU A 12 27.196 27.820 25.252 1.00 0.00 O ATOM 0 H GLU A 12 31.370 24.797 28.109 1.00 0.00 H new ATOM 0 HA GLU A 12 30.393 27.544 27.798 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.651 25.717 26.320 1.00 0.00 H new ATOM 0 HB3 GLU A 12 29.047 24.824 27.702 1.00 0.00 H new ATOM 0 HG2 GLU A 12 27.142 25.816 26.714 1.00 0.00 H new ATOM 0 HG3 GLU A 12 27.465 26.762 28.154 1.00 0.00 H new ATOM 169 N VAL A 13 29.657 28.005 30.144 1.00 0.00 N ATOM 170 CA VAL A 13 29.200 28.317 31.515 1.00 0.00 C ATOM 171 C VAL A 13 27.724 27.935 31.705 1.00 0.00 C ATOM 172 O VAL A 13 26.867 28.318 30.905 1.00 0.00 O ATOM 173 CB VAL A 13 29.385 29.809 31.887 1.00 0.00 C ATOM 174 CG1 VAL A 13 29.071 30.093 33.363 1.00 0.00 C ATOM 175 CG2 VAL A 13 30.818 30.312 31.630 1.00 0.00 C ATOM 0 H VAL A 13 29.958 28.824 29.617 1.00 0.00 H new ATOM 0 HA VAL A 13 29.828 27.723 32.179 1.00 0.00 H new ATOM 0 HB VAL A 13 28.680 30.334 31.243 1.00 0.00 H new ATOM 0 HG11 VAL A 13 29.217 31.153 33.569 1.00 0.00 H new ATOM 0 HG12 VAL A 13 28.037 29.822 33.574 1.00 0.00 H new ATOM 0 HG13 VAL A 13 29.736 29.506 33.996 1.00 0.00 H new ATOM 0 HG21 VAL A 13 30.890 31.363 31.908 1.00 0.00 H new ATOM 0 HG22 VAL A 13 31.520 29.730 32.226 1.00 0.00 H new ATOM 0 HG23 VAL A 13 31.059 30.199 30.573 1.00 0.00 H new ATOM 185 N ARG A 14 27.421 27.235 32.804 1.00 0.00 N ATOM 186 CA ARG A 14 26.071 26.869 33.242 1.00 0.00 C ATOM 187 C ARG A 14 25.885 27.180 34.737 1.00 0.00 C ATOM 188 O ARG A 14 26.730 26.831 35.562 1.00 0.00 O ATOM 189 CB ARG A 14 25.849 25.367 32.988 1.00 0.00 C ATOM 190 CG ARG A 14 25.729 24.942 31.515 1.00 0.00 C ATOM 191 CD ARG A 14 24.407 25.392 30.888 1.00 0.00 C ATOM 192 NE ARG A 14 24.357 25.083 29.446 1.00 0.00 N ATOM 193 CZ ARG A 14 24.379 25.947 28.436 1.00 0.00 C ATOM 194 NH1 ARG A 14 24.336 27.251 28.588 1.00 0.00 N ATOM 195 NH2 ARG A 14 24.438 25.498 27.206 1.00 0.00 N ATOM 0 H ARG A 14 28.142 26.894 33.440 1.00 0.00 H new ATOM 0 HA ARG A 14 25.342 27.451 32.678 1.00 0.00 H new ATOM 0 HB2 ARG A 14 26.675 24.817 33.438 1.00 0.00 H new ATOM 0 HB3 ARG A 14 24.942 25.061 33.509 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.560 25.363 30.949 1.00 0.00 H new ATOM 0 HG3 ARG A 14 25.812 23.858 31.444 1.00 0.00 H new ATOM 0 HD2 ARG A 14 23.577 24.900 31.395 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.280 26.464 31.036 1.00 0.00 H new ATOM 0 HE ARG A 14 24.299 24.096 29.196 1.00 0.00 H new ATOM 0 HH11 ARG A 14 24.282 27.654 29.524 1.00 0.00 H new ATOM 0 HH12 ARG A 14 24.356 27.861 27.771 1.00 0.00 H new ATOM 0 HH21 ARG A 14 24.467 24.494 27.031 1.00 0.00 H new ATOM 0 HH22 ARG A 14 24.455 26.153 26.424 1.00 0.00 H new ATOM 209 N HIS A 15 24.769 27.830 35.087 1.00 0.00 N ATOM 210 CA HIS A 15 24.488 28.359 36.438 1.00 0.00 C ATOM 211 C HIS A 15 23.098 27.983 37.015 1.00 0.00 C ATOM 212 O HIS A 15 22.763 28.379 38.133 1.00 0.00 O ATOM 213 CB HIS A 15 24.714 29.882 36.446 1.00 0.00 C ATOM 214 CG HIS A 15 23.564 30.678 35.895 1.00 0.00 C ATOM 215 ND1 HIS A 15 22.667 31.435 36.656 1.00 0.00 N ATOM 216 CD2 HIS A 15 23.187 30.718 34.587 1.00 0.00 C ATOM 217 CE1 HIS A 15 21.768 31.908 35.778 1.00 0.00 C ATOM 218 NE2 HIS A 15 22.057 31.496 34.532 1.00 0.00 N ATOM 0 H HIS A 15 24.014 28.010 34.426 1.00 0.00 H new ATOM 0 HA HIS A 15 25.191 27.870 37.113 1.00 0.00 H new ATOM 0 HB2 HIS A 15 24.907 30.204 37.469 1.00 0.00 H new ATOM 0 HB3 HIS A 15 25.609 30.108 35.866 1.00 0.00 H new ATOM 0 HD2 HIS A 15 23.680 30.233 33.757 1.00 0.00 H new ATOM 0 HE1 HIS A 15 20.927 32.534 36.038 1.00 0.00 H new ATOM 0 HE2 HIS A 15 21.528 31.722 33.690 1.00 0.00 H new ATOM 226 N SER A 16 22.294 27.189 36.299 1.00 0.00 N ATOM 227 CA SER A 16 21.228 26.381 36.915 1.00 0.00 C ATOM 228 C SER A 16 21.890 25.215 37.672 1.00 0.00 C ATOM 229 O SER A 16 22.082 24.113 37.146 1.00 0.00 O ATOM 230 CB SER A 16 20.218 25.914 35.857 1.00 0.00 C ATOM 231 OG SER A 16 19.111 25.252 36.447 1.00 0.00 O ATOM 0 H SER A 16 22.360 27.087 35.286 1.00 0.00 H new ATOM 0 HA SER A 16 20.654 26.974 37.627 1.00 0.00 H new ATOM 0 HB2 SER A 16 19.866 26.773 35.285 1.00 0.00 H new ATOM 0 HB3 SER A 16 20.711 25.243 35.154 1.00 0.00 H new ATOM 0 HG SER A 16 18.487 24.969 35.746 1.00 0.00 H new ATOM 237 N ASN A 17 22.342 25.516 38.891 1.00 0.00 N ATOM 238 CA ASN A 17 23.254 24.733 39.713 1.00 0.00 C ATOM 239 C ASN A 17 23.463 25.443 41.062 1.00 0.00 C ATOM 240 O ASN A 17 23.998 26.552 41.134 1.00 0.00 O ATOM 241 CB ASN A 17 24.591 24.488 38.994 1.00 0.00 C ATOM 242 CG ASN A 17 25.556 23.754 39.911 1.00 0.00 C ATOM 243 OD1 ASN A 17 26.418 24.362 40.527 1.00 0.00 O ATOM 244 ND2 ASN A 17 25.392 22.456 40.075 1.00 0.00 N ATOM 0 H ASN A 17 22.057 26.376 39.359 1.00 0.00 H new ATOM 0 HA ASN A 17 22.812 23.753 39.894 1.00 0.00 H new ATOM 0 HB2 ASN A 17 24.423 23.904 38.089 1.00 0.00 H new ATOM 0 HB3 ASN A 17 25.025 25.439 38.684 1.00 0.00 H new ATOM 0 HD21 ASN A 17 25.990 21.944 40.724 1.00 0.00 H new ATOM 0 HD22 ASN A 17 24.667 21.964 39.553 1.00 0.00 H new ATOM 251 N SER A 18 23.045 24.791 42.139 1.00 0.00 N ATOM 252 CA SER A 18 22.975 25.358 43.493 1.00 0.00 C ATOM 253 C SER A 18 24.314 25.485 44.238 1.00 0.00 C ATOM 254 O SER A 18 24.332 26.013 45.349 1.00 0.00 O ATOM 255 CB SER A 18 22.003 24.526 44.332 1.00 0.00 C ATOM 256 OG SER A 18 20.702 24.509 43.750 1.00 0.00 O ATOM 0 H SER A 18 22.734 23.820 42.100 1.00 0.00 H new ATOM 0 HA SER A 18 22.632 26.384 43.358 1.00 0.00 H new ATOM 0 HB2 SER A 18 22.377 23.506 44.422 1.00 0.00 H new ATOM 0 HB3 SER A 18 21.947 24.935 45.341 1.00 0.00 H new ATOM 0 HG SER A 18 20.102 23.969 44.306 1.00 0.00 H new ATOM 262 N LYS A 19 25.435 25.047 43.657 1.00 0.00 N ATOM 263 CA LYS A 19 26.765 25.157 44.270 1.00 0.00 C ATOM 264 C LYS A 19 27.276 26.622 44.290 1.00 0.00 C ATOM 265 O LYS A 19 26.587 27.554 43.857 1.00 0.00 O ATOM 266 CB LYS A 19 27.684 24.147 43.543 1.00 0.00 C ATOM 267 CG LYS A 19 28.992 23.735 44.247 1.00 0.00 C ATOM 268 CD LYS A 19 28.833 22.908 45.534 1.00 0.00 C ATOM 269 CE LYS A 19 28.523 21.431 45.273 1.00 0.00 C ATOM 270 NZ LYS A 19 29.696 20.712 44.723 1.00 0.00 N ATOM 0 H LYS A 19 25.446 24.602 42.739 1.00 0.00 H new ATOM 0 HA LYS A 19 26.744 24.895 45.328 1.00 0.00 H new ATOM 0 HB2 LYS A 19 27.106 23.243 43.354 1.00 0.00 H new ATOM 0 HB3 LYS A 19 27.944 24.568 42.572 1.00 0.00 H new ATOM 0 HG2 LYS A 19 29.596 23.162 43.543 1.00 0.00 H new ATOM 0 HG3 LYS A 19 29.553 24.639 44.486 1.00 0.00 H new ATOM 0 HD2 LYS A 19 29.749 22.981 46.120 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.034 23.338 46.137 1.00 0.00 H new ATOM 0 HE2 LYS A 19 28.208 20.956 46.202 1.00 0.00 H new ATOM 0 HE3 LYS A 19 27.689 21.352 44.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 29.506 19.690 44.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 29.877 21.035 43.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 30.530 20.906 45.313 1.00 0.00 H new ATOM 284 N ASN A 20 28.474 26.849 44.831 1.00 0.00 N ATOM 285 CA ASN A 20 29.085 28.168 45.037 1.00 0.00 C ATOM 286 C ASN A 20 29.331 28.949 43.730 1.00 0.00 C ATOM 287 O ASN A 20 29.093 30.158 43.682 1.00 0.00 O ATOM 288 CB ASN A 20 30.428 27.971 45.761 1.00 0.00 C ATOM 289 CG ASN A 20 30.299 27.227 47.085 1.00 0.00 C ATOM 290 OD1 ASN A 20 30.211 26.002 47.111 1.00 0.00 O ATOM 291 ND2 ASN A 20 30.273 27.931 48.197 1.00 0.00 N ATOM 0 H ASN A 20 29.072 26.088 45.152 1.00 0.00 H new ATOM 0 HA ASN A 20 28.384 28.760 45.625 1.00 0.00 H new ATOM 0 HB2 ASN A 20 31.107 27.421 45.109 1.00 0.00 H new ATOM 0 HB3 ASN A 20 30.880 28.946 45.943 1.00 0.00 H new ATOM 0 HD21 ASN A 20 30.179 27.460 49.097 1.00 0.00 H new ATOM 0 HD22 ASN A 20 30.347 28.948 48.159 1.00 0.00 H new ATOM 298 N LEU A 21 29.835 28.263 42.694 1.00 0.00 N ATOM 299 CA LEU A 21 30.188 28.808 41.376 1.00 0.00 C ATOM 300 C LEU A 21 29.425 28.069 40.252 1.00 0.00 C ATOM 301 O LEU A 21 28.935 26.955 40.481 1.00 0.00 O ATOM 302 CB LEU A 21 31.714 28.654 41.162 1.00 0.00 C ATOM 303 CG LEU A 21 32.587 29.829 41.652 1.00 0.00 C ATOM 304 CD1 LEU A 21 32.511 30.050 43.168 1.00 0.00 C ATOM 305 CD2 LEU A 21 34.046 29.558 41.258 1.00 0.00 C ATOM 0 H LEU A 21 30.017 27.261 42.757 1.00 0.00 H new ATOM 0 HA LEU A 21 29.908 29.861 41.340 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.042 27.747 41.669 1.00 0.00 H new ATOM 0 HB3 LEU A 21 31.899 28.509 40.098 1.00 0.00 H new ATOM 0 HG LEU A 21 32.205 30.734 41.180 1.00 0.00 H new ATOM 0 HD11 LEU A 21 33.148 30.890 43.446 1.00 0.00 H new ATOM 0 HD12 LEU A 21 31.481 30.265 43.453 1.00 0.00 H new ATOM 0 HD13 LEU A 21 32.850 29.152 43.684 1.00 0.00 H new ATOM 0 HD21 LEU A 21 34.674 30.381 41.599 1.00 0.00 H new ATOM 0 HD22 LEU A 21 34.382 28.630 41.721 1.00 0.00 H new ATOM 0 HD23 LEU A 21 34.120 29.470 40.174 1.00 0.00 H new ATOM 317 N PRO A 22 29.345 28.647 39.034 1.00 0.00 N ATOM 318 CA PRO A 22 28.873 27.944 37.846 1.00 0.00 C ATOM 319 C PRO A 22 29.894 26.896 37.382 1.00 0.00 C ATOM 320 O PRO A 22 31.082 26.965 37.716 1.00 0.00 O ATOM 321 CB PRO A 22 28.634 29.032 36.794 1.00 0.00 C ATOM 322 CG PRO A 22 29.640 30.118 37.166 1.00 0.00 C ATOM 323 CD PRO A 22 29.735 30.011 38.690 1.00 0.00 C ATOM 0 HA PRO A 22 27.958 27.384 38.038 1.00 0.00 H new ATOM 0 HB2 PRO A 22 28.803 28.658 35.784 1.00 0.00 H new ATOM 0 HB3 PRO A 22 27.610 29.405 36.828 1.00 0.00 H new ATOM 0 HG2 PRO A 22 30.606 29.949 36.691 1.00 0.00 H new ATOM 0 HG3 PRO A 22 29.299 31.105 36.853 1.00 0.00 H new ATOM 0 HD2 PRO A 22 30.748 30.223 39.031 1.00 0.00 H new ATOM 0 HD3 PRO A 22 29.078 30.736 39.172 1.00 0.00 H new ATOM 331 N TYR A 23 29.419 25.930 36.591 1.00 0.00 N ATOM 332 CA TYR A 23 30.237 24.866 35.994 1.00 0.00 C ATOM 333 C TYR A 23 30.411 25.067 34.482 1.00 0.00 C ATOM 334 O TYR A 23 29.502 25.542 33.804 1.00 0.00 O ATOM 335 CB TYR A 23 29.638 23.483 36.312 1.00 0.00 C ATOM 336 CG TYR A 23 28.334 23.116 35.614 1.00 0.00 C ATOM 337 CD1 TYR A 23 27.095 23.575 36.111 1.00 0.00 C ATOM 338 CD2 TYR A 23 28.358 22.278 34.483 1.00 0.00 C ATOM 339 CE1 TYR A 23 25.892 23.199 35.483 1.00 0.00 C ATOM 340 CE2 TYR A 23 27.158 21.883 33.860 1.00 0.00 C ATOM 341 CZ TYR A 23 25.921 22.338 34.359 1.00 0.00 C ATOM 342 OH TYR A 23 24.767 21.977 33.735 1.00 0.00 O ATOM 0 H TYR A 23 28.432 25.863 36.341 1.00 0.00 H new ATOM 0 HA TYR A 23 31.231 24.917 36.438 1.00 0.00 H new ATOM 0 HB2 TYR A 23 30.381 22.726 36.061 1.00 0.00 H new ATOM 0 HB3 TYR A 23 29.474 23.424 37.388 1.00 0.00 H new ATOM 0 HD1 TYR A 23 27.070 24.218 36.978 1.00 0.00 H new ATOM 0 HD2 TYR A 23 29.304 21.935 34.090 1.00 0.00 H new ATOM 0 HE1 TYR A 23 24.948 23.567 35.858 1.00 0.00 H new ATOM 0 HE2 TYR A 23 27.186 21.231 32.999 1.00 0.00 H new ATOM 0 HH TYR A 23 24.974 21.384 32.983 1.00 0.00 H new ATOM 352 N TYR A 24 31.569 24.689 33.937 1.00 0.00 N ATOM 353 CA TYR A 24 31.843 24.768 32.500 1.00 0.00 C ATOM 354 C TYR A 24 31.472 23.435 31.837 1.00 0.00 C ATOM 355 O TYR A 24 32.190 22.439 31.949 1.00 0.00 O ATOM 356 CB TYR A 24 33.312 25.160 32.262 1.00 0.00 C ATOM 357 CG TYR A 24 33.808 26.342 33.078 1.00 0.00 C ATOM 358 CD1 TYR A 24 33.027 27.512 33.177 1.00 0.00 C ATOM 359 CD2 TYR A 24 35.042 26.272 33.755 1.00 0.00 C ATOM 360 CE1 TYR A 24 33.461 28.594 33.960 1.00 0.00 C ATOM 361 CE2 TYR A 24 35.491 27.358 34.533 1.00 0.00 C ATOM 362 CZ TYR A 24 34.697 28.521 34.637 1.00 0.00 C ATOM 363 OH TYR A 24 35.094 29.571 35.400 1.00 0.00 O ATOM 0 H TYR A 24 32.347 24.318 34.482 1.00 0.00 H new ATOM 0 HA TYR A 24 31.231 25.545 32.042 1.00 0.00 H new ATOM 0 HB2 TYR A 24 33.941 24.298 32.482 1.00 0.00 H new ATOM 0 HB3 TYR A 24 33.443 25.389 31.204 1.00 0.00 H new ATOM 0 HD1 TYR A 24 32.088 27.576 32.647 1.00 0.00 H new ATOM 0 HD2 TYR A 24 35.647 25.381 33.677 1.00 0.00 H new ATOM 0 HE1 TYR A 24 32.850 29.480 34.044 1.00 0.00 H new ATOM 0 HE2 TYR A 24 36.439 27.301 35.048 1.00 0.00 H new ATOM 0 HH TYR A 24 35.965 29.372 35.803 1.00 0.00 H new ATOM 373 N PHE A 25 30.310 23.394 31.190 1.00 0.00 N ATOM 374 CA PHE A 25 29.778 22.211 30.526 1.00 0.00 C ATOM 375 C PHE A 25 30.623 21.812 29.310 1.00 0.00 C ATOM 376 O PHE A 25 31.168 22.660 28.599 1.00 0.00 O ATOM 377 CB PHE A 25 28.314 22.475 30.149 1.00 0.00 C ATOM 378 CG PHE A 25 27.629 21.332 29.422 1.00 0.00 C ATOM 379 CD1 PHE A 25 27.563 20.053 30.012 1.00 0.00 C ATOM 380 CD2 PHE A 25 27.074 21.537 28.145 1.00 0.00 C ATOM 381 CE1 PHE A 25 26.966 18.986 29.320 1.00 0.00 C ATOM 382 CE2 PHE A 25 26.437 20.480 27.476 1.00 0.00 C ATOM 383 CZ PHE A 25 26.397 19.202 28.053 1.00 0.00 C ATOM 0 H PHE A 25 29.697 24.206 31.112 1.00 0.00 H new ATOM 0 HA PHE A 25 29.822 21.363 31.209 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.754 22.697 31.057 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.270 23.365 29.521 1.00 0.00 H new ATOM 0 HD1 PHE A 25 27.972 19.893 30.999 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.138 22.509 27.679 1.00 0.00 H new ATOM 0 HE1 PHE A 25 26.944 18.000 29.761 1.00 0.00 H new ATOM 0 HE2 PHE A 25 25.976 20.651 26.514 1.00 0.00 H new ATOM 0 HZ PHE A 25 25.929 18.385 27.524 1.00 0.00 H new ATOM 393 N ASN A 26 30.706 20.501 29.082 1.00 0.00 N ATOM 394 CA ASN A 26 31.412 19.867 27.972 1.00 0.00 C ATOM 395 C ASN A 26 30.392 19.367 26.917 1.00 0.00 C ATOM 396 O ASN A 26 29.966 18.214 26.991 1.00 0.00 O ATOM 397 CB ASN A 26 32.268 18.747 28.599 1.00 0.00 C ATOM 398 CG ASN A 26 33.276 18.126 27.648 1.00 0.00 C ATOM 399 OD1 ASN A 26 34.458 18.437 27.697 1.00 0.00 O ATOM 400 ND2 ASN A 26 32.852 17.201 26.816 1.00 0.00 N ATOM 0 H ASN A 26 30.260 19.821 29.697 1.00 0.00 H new ATOM 0 HA ASN A 26 32.065 20.551 27.431 1.00 0.00 H new ATOM 0 HB2 ASN A 26 32.800 19.151 29.461 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.606 17.965 28.971 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.512 16.730 26.198 1.00 0.00 H new ATOM 0 HD22 ASN A 26 31.863 16.954 26.789 1.00 0.00 H new ATOM 407 N PRO A 27 29.932 20.208 25.965 1.00 0.00 N ATOM 408 CA PRO A 27 28.821 19.861 25.075 1.00 0.00 C ATOM 409 C PRO A 27 29.057 18.659 24.156 1.00 0.00 C ATOM 410 O PRO A 27 28.087 18.008 23.764 1.00 0.00 O ATOM 411 CB PRO A 27 28.510 21.127 24.274 1.00 0.00 C ATOM 412 CG PRO A 27 29.770 21.981 24.396 1.00 0.00 C ATOM 413 CD PRO A 27 30.291 21.607 25.779 1.00 0.00 C ATOM 0 HA PRO A 27 27.981 19.530 25.686 1.00 0.00 H new ATOM 0 HB2 PRO A 27 28.290 20.893 23.233 1.00 0.00 H new ATOM 0 HB3 PRO A 27 27.639 21.646 24.675 1.00 0.00 H new ATOM 0 HG2 PRO A 27 30.494 21.750 23.614 1.00 0.00 H new ATOM 0 HG3 PRO A 27 29.547 23.045 24.321 1.00 0.00 H new ATOM 0 HD2 PRO A 27 31.370 21.747 25.843 1.00 0.00 H new ATOM 0 HD3 PRO A 27 29.842 22.233 26.550 1.00 0.00 H new ATOM 421 N ALA A 28 30.309 18.320 23.832 1.00 0.00 N ATOM 422 CA ALA A 28 30.621 17.200 22.947 1.00 0.00 C ATOM 423 C ALA A 28 30.483 15.812 23.612 1.00 0.00 C ATOM 424 O ALA A 28 30.453 14.811 22.895 1.00 0.00 O ATOM 425 CB ALA A 28 32.029 17.418 22.379 1.00 0.00 C ATOM 0 H ALA A 28 31.131 18.815 24.177 1.00 0.00 H new ATOM 0 HA ALA A 28 29.881 17.187 22.146 1.00 0.00 H new ATOM 0 HB1 ALA A 28 32.285 16.593 21.714 1.00 0.00 H new ATOM 0 HB2 ALA A 28 32.056 18.355 21.822 1.00 0.00 H new ATOM 0 HB3 ALA A 28 32.748 17.461 23.197 1.00 0.00 H new ATOM 431 N THR A 29 30.377 15.730 24.947 1.00 0.00 N ATOM 432 CA THR A 29 30.245 14.497 25.759 1.00 0.00 C ATOM 433 C THR A 29 29.897 14.896 27.182 1.00 0.00 C ATOM 434 O THR A 29 30.668 15.637 27.783 1.00 0.00 O ATOM 435 CB THR A 29 31.548 13.675 25.760 1.00 0.00 C ATOM 436 OG1 THR A 29 31.611 12.977 24.545 1.00 0.00 O ATOM 437 CG2 THR A 29 31.630 12.614 26.863 1.00 0.00 C ATOM 0 H THR A 29 30.381 16.568 25.529 1.00 0.00 H new ATOM 0 HA THR A 29 29.462 13.874 25.326 1.00 0.00 H new ATOM 0 HB THR A 29 32.358 14.387 25.920 1.00 0.00 H new ATOM 0 HG1 THR A 29 31.190 13.511 23.839 1.00 0.00 H new ATOM 0 HG21 THR A 29 32.580 12.084 26.788 1.00 0.00 H new ATOM 0 HG22 THR A 29 31.559 13.096 27.838 1.00 0.00 H new ATOM 0 HG23 THR A 29 30.809 11.906 26.748 1.00 0.00 H new ATOM 445 N ARG A 30 28.795 14.379 27.737 1.00 0.00 N ATOM 446 CA ARG A 30 28.275 14.762 29.059 1.00 0.00 C ATOM 447 C ARG A 30 29.344 14.674 30.173 1.00 0.00 C ATOM 448 O ARG A 30 29.635 13.611 30.739 1.00 0.00 O ATOM 449 CB ARG A 30 27.010 13.942 29.384 1.00 0.00 C ATOM 450 CG ARG A 30 25.807 14.180 28.443 1.00 0.00 C ATOM 451 CD ARG A 30 25.293 15.627 28.467 1.00 0.00 C ATOM 452 NE ARG A 30 24.136 15.844 27.575 1.00 0.00 N ATOM 453 CZ ARG A 30 22.847 15.836 27.908 1.00 0.00 C ATOM 454 NH1 ARG A 30 22.421 15.514 29.109 1.00 0.00 N ATOM 455 NH2 ARG A 30 21.942 16.176 27.021 1.00 0.00 N ATOM 0 H ARG A 30 28.228 13.670 27.273 1.00 0.00 H new ATOM 0 HA ARG A 30 27.997 15.815 29.019 1.00 0.00 H new ATOM 0 HB2 ARG A 30 27.267 12.883 29.357 1.00 0.00 H new ATOM 0 HB3 ARG A 30 26.702 14.169 30.405 1.00 0.00 H new ATOM 0 HG2 ARG A 30 26.095 13.921 27.424 1.00 0.00 H new ATOM 0 HG3 ARG A 30 24.996 13.509 28.725 1.00 0.00 H new ATOM 0 HD2 ARG A 30 25.013 15.890 29.487 1.00 0.00 H new ATOM 0 HD3 ARG A 30 26.101 16.298 28.175 1.00 0.00 H new ATOM 0 HE ARG A 30 24.349 16.020 26.593 1.00 0.00 H new ATOM 0 HH11 ARG A 30 23.089 15.255 29.835 1.00 0.00 H new ATOM 0 HH12 ARG A 30 21.422 15.523 29.315 1.00 0.00 H new ATOM 0 HH21 ARG A 30 22.227 16.445 26.079 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.954 16.171 27.273 1.00 0.00 H new ATOM 469 N GLU A 31 29.924 15.833 30.480 1.00 0.00 N ATOM 470 CA GLU A 31 31.038 16.057 31.404 1.00 0.00 C ATOM 471 C GLU A 31 31.122 17.559 31.771 1.00 0.00 C ATOM 472 O GLU A 31 30.318 18.363 31.288 1.00 0.00 O ATOM 473 CB GLU A 31 32.341 15.467 30.804 1.00 0.00 C ATOM 474 CG GLU A 31 33.570 15.416 31.727 1.00 0.00 C ATOM 475 CD GLU A 31 33.260 14.801 33.091 1.00 0.00 C ATOM 476 OE1 GLU A 31 32.588 15.464 33.912 1.00 0.00 O ATOM 477 OE2 GLU A 31 33.632 13.630 33.337 1.00 0.00 O ATOM 0 H GLU A 31 29.605 16.706 30.059 1.00 0.00 H new ATOM 0 HA GLU A 31 30.877 15.531 32.345 1.00 0.00 H new ATOM 0 HB2 GLU A 31 32.129 14.453 30.464 1.00 0.00 H new ATOM 0 HB3 GLU A 31 32.603 16.051 29.922 1.00 0.00 H new ATOM 0 HG2 GLU A 31 34.358 14.839 31.244 1.00 0.00 H new ATOM 0 HG3 GLU A 31 33.955 16.426 31.868 1.00 0.00 H new ATOM 484 N SER A 32 32.051 17.967 32.637 1.00 0.00 N ATOM 485 CA SER A 32 32.311 19.375 32.964 1.00 0.00 C ATOM 486 C SER A 32 33.779 19.668 33.342 1.00 0.00 C ATOM 487 O SER A 32 34.608 18.761 33.452 1.00 0.00 O ATOM 488 CB SER A 32 31.324 19.867 34.043 1.00 0.00 C ATOM 489 OG SER A 32 31.628 19.452 35.366 1.00 0.00 O ATOM 0 H SER A 32 32.656 17.319 33.141 1.00 0.00 H new ATOM 0 HA SER A 32 32.141 19.945 32.050 1.00 0.00 H new ATOM 0 HB2 SER A 32 31.294 20.956 34.017 1.00 0.00 H new ATOM 0 HB3 SER A 32 30.325 19.515 33.788 1.00 0.00 H new ATOM 0 HG SER A 32 32.433 19.916 35.678 1.00 0.00 H new ATOM 495 N ARG A 33 34.083 20.958 33.525 1.00 0.00 N ATOM 496 CA ARG A 33 35.330 21.532 34.042 1.00 0.00 C ATOM 497 C ARG A 33 34.962 22.683 35.000 1.00 0.00 C ATOM 498 O ARG A 33 33.855 23.219 34.944 1.00 0.00 O ATOM 499 CB ARG A 33 36.195 21.999 32.855 1.00 0.00 C ATOM 500 CG ARG A 33 37.604 22.523 33.196 1.00 0.00 C ATOM 501 CD ARG A 33 38.603 21.497 33.740 1.00 0.00 C ATOM 502 NE ARG A 33 38.835 20.359 32.842 1.00 0.00 N ATOM 503 CZ ARG A 33 39.740 19.399 33.000 1.00 0.00 C ATOM 504 NH1 ARG A 33 40.592 19.359 34.005 1.00 0.00 N ATOM 505 NH2 ARG A 33 39.800 18.457 32.091 1.00 0.00 N ATOM 0 H ARG A 33 33.407 21.687 33.296 1.00 0.00 H new ATOM 0 HA ARG A 33 35.916 20.801 34.599 1.00 0.00 H new ATOM 0 HB2 ARG A 33 36.300 21.166 32.160 1.00 0.00 H new ATOM 0 HB3 ARG A 33 35.656 22.787 32.329 1.00 0.00 H new ATOM 0 HG2 ARG A 33 38.029 22.969 32.297 1.00 0.00 H new ATOM 0 HG3 ARG A 33 37.502 23.322 33.930 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.553 21.996 33.932 1.00 0.00 H new ATOM 0 HD3 ARG A 33 38.240 21.124 34.698 1.00 0.00 H new ATOM 0 HE ARG A 33 38.242 20.299 32.014 1.00 0.00 H new ATOM 0 HH11 ARG A 33 40.578 20.092 34.715 1.00 0.00 H new ATOM 0 HH12 ARG A 33 41.265 18.595 34.073 1.00 0.00 H new ATOM 0 HH21 ARG A 33 39.164 18.476 31.294 1.00 0.00 H new ATOM 0 HH22 ARG A 33 40.483 17.705 32.181 1.00 0.00 H new ATOM 519 N TRP A 34 35.878 23.053 35.899 1.00 0.00 N ATOM 520 CA TRP A 34 35.536 23.777 37.133 1.00 0.00 C ATOM 521 C TRP A 34 36.582 24.861 37.454 1.00 0.00 C ATOM 522 O TRP A 34 36.259 26.047 37.463 1.00 0.00 O ATOM 523 CB TRP A 34 35.361 22.743 38.275 1.00 0.00 C ATOM 524 CG TRP A 34 35.166 21.309 37.852 1.00 0.00 C ATOM 525 CD1 TRP A 34 33.982 20.665 37.736 1.00 0.00 C ATOM 526 CD2 TRP A 34 36.173 20.367 37.359 1.00 0.00 C ATOM 527 NE1 TRP A 34 34.187 19.402 37.212 1.00 0.00 N ATOM 528 CE2 TRP A 34 35.517 19.169 36.948 1.00 0.00 C ATOM 529 CE3 TRP A 34 37.567 20.439 37.143 1.00 0.00 C ATOM 530 CZ2 TRP A 34 36.207 18.090 36.376 1.00 0.00 C ATOM 531 CZ3 TRP A 34 38.276 19.353 36.595 1.00 0.00 C ATOM 532 CH2 TRP A 34 37.599 18.183 36.205 1.00 0.00 C ATOM 0 H TRP A 34 36.875 22.862 35.796 1.00 0.00 H new ATOM 0 HA TRP A 34 34.595 24.313 37.008 1.00 0.00 H new ATOM 0 HB2 TRP A 34 36.238 22.793 38.920 1.00 0.00 H new ATOM 0 HB3 TRP A 34 34.504 23.041 38.879 1.00 0.00 H new ATOM 0 HD1 TRP A 34 33.022 21.075 38.011 1.00 0.00 H new ATOM 0 HE1 TRP A 34 33.443 18.725 37.042 1.00 0.00 H new ATOM 0 HE3 TRP A 34 38.098 21.343 37.403 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 35.676 17.200 36.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 39.347 19.419 36.473 1.00 0.00 H new ATOM 0 HH2 TRP A 34 38.148 17.358 35.775 1.00 0.00 H new ATOM 543 N GLU A 35 37.847 24.460 37.619 1.00 0.00 N ATOM 544 CA GLU A 35 39.032 25.331 37.660 1.00 0.00 C ATOM 545 C GLU A 35 39.844 25.158 36.354 1.00 0.00 C ATOM 546 O GLU A 35 39.728 24.104 35.713 1.00 0.00 O ATOM 547 CB GLU A 35 39.874 25.004 38.912 1.00 0.00 C ATOM 548 CG GLU A 35 39.354 25.758 40.146 1.00 0.00 C ATOM 549 CD GLU A 35 40.173 25.470 41.404 1.00 0.00 C ATOM 550 OE1 GLU A 35 41.354 25.883 41.481 1.00 0.00 O ATOM 551 OE2 GLU A 35 39.626 24.859 42.352 1.00 0.00 O ATOM 0 H GLU A 35 38.086 23.475 37.733 1.00 0.00 H new ATOM 0 HA GLU A 35 38.730 26.376 37.729 1.00 0.00 H new ATOM 0 HB2 GLU A 35 39.847 23.931 39.101 1.00 0.00 H new ATOM 0 HB3 GLU A 35 40.916 25.270 38.732 1.00 0.00 H new ATOM 0 HG2 GLU A 35 39.370 26.829 39.945 1.00 0.00 H new ATOM 0 HG3 GLU A 35 38.315 25.482 40.323 1.00 0.00 H new ATOM 558 N PRO A 36 40.627 26.170 35.919 1.00 0.00 N ATOM 559 CA PRO A 36 41.216 26.213 34.579 1.00 0.00 C ATOM 560 C PRO A 36 42.313 25.142 34.393 1.00 0.00 C ATOM 561 O PRO A 36 43.291 25.157 35.139 1.00 0.00 O ATOM 562 CB PRO A 36 41.761 27.637 34.406 1.00 0.00 C ATOM 563 CG PRO A 36 42.006 28.109 35.838 1.00 0.00 C ATOM 564 CD PRO A 36 40.882 27.426 36.615 1.00 0.00 C ATOM 0 HA PRO A 36 40.473 25.983 33.815 1.00 0.00 H new ATOM 0 HB2 PRO A 36 42.680 27.645 33.819 1.00 0.00 H new ATOM 0 HB3 PRO A 36 41.047 28.279 33.890 1.00 0.00 H new ATOM 0 HG2 PRO A 36 42.989 27.809 36.200 1.00 0.00 H new ATOM 0 HG3 PRO A 36 41.954 29.195 35.921 1.00 0.00 H new ATOM 0 HD2 PRO A 36 41.174 27.248 37.650 1.00 0.00 H new ATOM 0 HD3 PRO A 36 39.988 28.049 36.639 1.00 0.00 H new ATOM 572 N PRO A 37 42.184 24.231 33.405 1.00 0.00 N ATOM 573 CA PRO A 37 43.068 23.078 33.220 1.00 0.00 C ATOM 574 C PRO A 37 44.340 23.437 32.442 1.00 0.00 C ATOM 575 O PRO A 37 44.397 24.465 31.774 1.00 0.00 O ATOM 576 CB PRO A 37 42.237 22.083 32.417 1.00 0.00 C ATOM 577 CG PRO A 37 41.382 22.982 31.538 1.00 0.00 C ATOM 578 CD PRO A 37 41.106 24.188 32.428 1.00 0.00 C ATOM 0 HA PRO A 37 43.406 22.688 34.180 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.865 21.418 31.824 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.627 21.452 33.064 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.906 23.267 30.626 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.459 22.487 31.234 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.077 25.106 31.841 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.138 24.094 32.921 1.00 0.00 H new ATOM 586 N ALA A 38 45.344 22.554 32.451 1.00 0.00 N ATOM 587 CA ALA A 38 46.646 22.833 31.834 1.00 0.00 C ATOM 588 C ALA A 38 46.637 22.930 30.289 1.00 0.00 C ATOM 589 O ALA A 38 47.548 23.532 29.722 1.00 0.00 O ATOM 590 CB ALA A 38 47.629 21.766 32.326 1.00 0.00 C ATOM 0 H ALA A 38 45.279 21.632 32.883 1.00 0.00 H new ATOM 0 HA ALA A 38 46.951 23.832 32.145 1.00 0.00 H new ATOM 0 HB1 ALA A 38 48.610 21.944 31.885 1.00 0.00 H new ATOM 0 HB2 ALA A 38 47.705 21.815 33.412 1.00 0.00 H new ATOM 0 HB3 ALA A 38 47.272 20.779 32.031 1.00 0.00 H new ATOM 596 N ASP A 39 45.639 22.370 29.594 1.00 0.00 N ATOM 597 CA ASP A 39 45.508 22.394 28.118 1.00 0.00 C ATOM 598 C ASP A 39 44.914 23.714 27.565 1.00 0.00 C ATOM 599 O ASP A 39 44.865 23.920 26.349 1.00 0.00 O ATOM 600 CB ASP A 39 44.658 21.178 27.699 1.00 0.00 C ATOM 601 CG ASP A 39 44.479 21.012 26.181 1.00 0.00 C ATOM 602 OD1 ASP A 39 45.454 20.664 25.471 1.00 0.00 O ATOM 603 OD2 ASP A 39 43.330 21.140 25.703 1.00 0.00 O ATOM 0 H ASP A 39 44.874 21.871 30.049 1.00 0.00 H new ATOM 0 HA ASP A 39 46.507 22.339 27.685 1.00 0.00 H new ATOM 0 HB2 ASP A 39 45.119 20.275 28.098 1.00 0.00 H new ATOM 0 HB3 ASP A 39 43.674 21.263 28.160 1.00 0.00 H new ATOM 608 N THR A 40 44.448 24.603 28.450 1.00 0.00 N ATOM 609 CA THR A 40 43.635 25.794 28.141 1.00 0.00 C ATOM 610 C THR A 40 44.416 26.960 27.502 1.00 0.00 C ATOM 611 O THR A 40 45.647 26.951 27.469 1.00 0.00 O ATOM 612 CB THR A 40 42.906 26.146 29.435 1.00 0.00 C ATOM 613 OG1 THR A 40 41.663 26.705 29.150 1.00 0.00 O ATOM 614 CG2 THR A 40 43.675 27.083 30.360 1.00 0.00 C ATOM 0 H THR A 40 44.634 24.511 29.449 1.00 0.00 H new ATOM 0 HA THR A 40 42.920 25.573 27.349 1.00 0.00 H new ATOM 0 HB THR A 40 42.799 25.203 29.970 1.00 0.00 H new ATOM 0 HG1 THR A 40 41.621 26.943 28.200 1.00 0.00 H new ATOM 0 HG21 THR A 40 43.083 27.279 31.254 1.00 0.00 H new ATOM 0 HG22 THR A 40 44.619 26.619 30.645 1.00 0.00 H new ATOM 0 HG23 THR A 40 43.874 28.022 29.843 1.00 0.00 H new ATOM 622 N ASP A 41 43.708 27.989 27.012 1.00 0.00 N ATOM 623 CA ASP A 41 44.245 29.098 26.206 1.00 0.00 C ATOM 624 C ASP A 41 44.349 30.380 27.038 1.00 0.00 C ATOM 625 O ASP A 41 43.834 31.427 26.663 1.00 0.00 O ATOM 626 CB ASP A 41 43.402 29.345 24.932 1.00 0.00 C ATOM 627 CG ASP A 41 44.160 30.136 23.855 1.00 0.00 C ATOM 628 OD1 ASP A 41 45.356 29.817 23.630 1.00 0.00 O ATOM 629 OD2 ASP A 41 43.584 31.073 23.256 1.00 0.00 O ATOM 0 H ASP A 41 42.704 28.075 27.173 1.00 0.00 H new ATOM 0 HA ASP A 41 45.247 28.808 25.888 1.00 0.00 H new ATOM 0 HB2 ASP A 41 43.089 28.386 24.518 1.00 0.00 H new ATOM 0 HB3 ASP A 41 42.495 29.886 25.202 1.00 0.00 H new ATOM 634 N MET A 42 44.971 30.277 28.212 1.00 0.00 N ATOM 635 CA MET A 42 45.331 31.370 29.124 1.00 0.00 C ATOM 636 C MET A 42 45.631 32.736 28.468 1.00 0.00 C ATOM 637 O MET A 42 45.179 33.726 29.026 1.00 0.00 O ATOM 638 CB MET A 42 46.458 30.887 30.052 1.00 0.00 C ATOM 639 CG MET A 42 45.919 29.790 30.989 1.00 0.00 C ATOM 640 SD MET A 42 46.514 29.849 32.696 1.00 0.00 S ATOM 641 CE MET A 42 48.181 29.217 32.411 1.00 0.00 C ATOM 0 H MET A 42 45.257 29.369 28.578 1.00 0.00 H new ATOM 0 HA MET A 42 44.437 31.598 29.704 1.00 0.00 H new ATOM 0 HB2 MET A 42 47.288 30.500 29.462 1.00 0.00 H new ATOM 0 HB3 MET A 42 46.845 31.722 30.637 1.00 0.00 H new ATOM 0 HG2 MET A 42 44.831 29.852 31.001 1.00 0.00 H new ATOM 0 HG3 MET A 42 46.178 28.819 30.567 1.00 0.00 H new ATOM 0 HE1 MET A 42 48.721 29.176 33.357 1.00 0.00 H new ATOM 0 HE2 MET A 42 48.122 28.216 31.982 1.00 0.00 H new ATOM 0 HE3 MET A 42 48.707 29.877 31.721 1.00 0.00 H new ATOM 651 N GLU A 43 46.240 32.851 27.282 1.00 0.00 N ATOM 652 CA GLU A 43 46.430 34.159 26.621 1.00 0.00 C ATOM 653 C GLU A 43 45.107 34.868 26.221 1.00 0.00 C ATOM 654 O GLU A 43 45.047 36.097 26.199 1.00 0.00 O ATOM 655 CB GLU A 43 47.340 33.970 25.391 1.00 0.00 C ATOM 656 CG GLU A 43 48.006 35.248 24.861 1.00 0.00 C ATOM 657 CD GLU A 43 49.185 35.661 25.736 1.00 0.00 C ATOM 658 OE1 GLU A 43 48.981 36.274 26.805 1.00 0.00 O ATOM 659 OE2 GLU A 43 50.349 35.322 25.407 1.00 0.00 O ATOM 0 H GLU A 43 46.611 32.059 26.757 1.00 0.00 H new ATOM 0 HA GLU A 43 46.898 34.820 27.350 1.00 0.00 H new ATOM 0 HB2 GLU A 43 48.120 33.252 25.645 1.00 0.00 H new ATOM 0 HB3 GLU A 43 46.750 33.529 24.588 1.00 0.00 H new ATOM 0 HG2 GLU A 43 48.348 35.086 23.839 1.00 0.00 H new ATOM 0 HG3 GLU A 43 47.274 36.055 24.828 1.00 0.00 H new ATOM 666 N THR A 44 44.031 34.111 25.967 1.00 0.00 N ATOM 667 CA THR A 44 42.633 34.554 25.733 1.00 0.00 C ATOM 668 C THR A 44 41.798 34.528 27.006 1.00 0.00 C ATOM 669 O THR A 44 40.629 34.898 27.003 1.00 0.00 O ATOM 670 CB THR A 44 41.995 33.578 24.713 1.00 0.00 C ATOM 671 OG1 THR A 44 42.804 33.590 23.561 1.00 0.00 O ATOM 672 CG2 THR A 44 40.566 33.905 24.243 1.00 0.00 C ATOM 0 H THR A 44 44.112 33.096 25.914 1.00 0.00 H new ATOM 0 HA THR A 44 42.653 35.581 25.369 1.00 0.00 H new ATOM 0 HB THR A 44 41.930 32.623 25.235 1.00 0.00 H new ATOM 0 HG1 THR A 44 43.199 32.703 23.429 1.00 0.00 H new ATOM 0 HG21 THR A 44 40.234 33.148 23.532 1.00 0.00 H new ATOM 0 HG22 THR A 44 39.894 33.916 25.101 1.00 0.00 H new ATOM 0 HG23 THR A 44 40.556 34.883 23.762 1.00 0.00 H new ATOM 680 N LEU A 45 42.352 34.034 28.105 1.00 0.00 N ATOM 681 CA LEU A 45 41.544 33.485 29.179 1.00 0.00 C ATOM 682 C LEU A 45 41.956 34.046 30.539 1.00 0.00 C ATOM 683 O LEU A 45 41.108 34.126 31.411 1.00 0.00 O ATOM 684 CB LEU A 45 41.622 31.968 28.987 1.00 0.00 C ATOM 685 CG LEU A 45 40.834 31.065 29.929 1.00 0.00 C ATOM 686 CD1 LEU A 45 39.325 31.014 29.733 1.00 0.00 C ATOM 687 CD2 LEU A 45 41.435 29.667 29.956 1.00 0.00 C ATOM 0 H LEU A 45 43.357 34.003 28.274 1.00 0.00 H new ATOM 0 HA LEU A 45 40.495 33.779 29.149 1.00 0.00 H new ATOM 0 HB2 LEU A 45 41.297 31.747 27.970 1.00 0.00 H new ATOM 0 HB3 LEU A 45 42.671 31.681 29.056 1.00 0.00 H new ATOM 0 HG LEU A 45 40.940 31.545 30.902 1.00 0.00 H new ATOM 0 HD11 LEU A 45 38.886 30.337 30.465 1.00 0.00 H new ATOM 0 HD12 LEU A 45 38.907 32.012 29.865 1.00 0.00 H new ATOM 0 HD13 LEU A 45 39.101 30.657 28.728 1.00 0.00 H new ATOM 0 HD21 LEU A 45 40.859 29.037 30.634 1.00 0.00 H new ATOM 0 HD22 LEU A 45 41.409 29.240 28.953 1.00 0.00 H new ATOM 0 HD23 LEU A 45 42.468 29.722 30.300 1.00 0.00 H new ATOM 699 N LYS A 46 43.160 34.595 30.711 1.00 0.00 N ATOM 700 CA LYS A 46 43.455 35.561 31.779 1.00 0.00 C ATOM 701 C LYS A 46 42.574 36.813 31.658 1.00 0.00 C ATOM 702 O LYS A 46 42.106 37.306 32.683 1.00 0.00 O ATOM 703 CB LYS A 46 44.946 35.940 31.745 1.00 0.00 C ATOM 704 CG LYS A 46 45.842 35.178 32.727 1.00 0.00 C ATOM 705 CD LYS A 46 45.853 33.653 32.541 1.00 0.00 C ATOM 706 CE LYS A 46 44.781 32.893 33.346 1.00 0.00 C ATOM 707 NZ LYS A 46 45.000 33.035 34.807 1.00 0.00 N ATOM 0 H LYS A 46 43.961 34.384 30.115 1.00 0.00 H new ATOM 0 HA LYS A 46 43.230 35.093 32.737 1.00 0.00 H new ATOM 0 HB2 LYS A 46 45.322 35.776 30.735 1.00 0.00 H new ATOM 0 HB3 LYS A 46 45.037 37.007 31.950 1.00 0.00 H new ATOM 0 HG2 LYS A 46 46.862 35.549 32.629 1.00 0.00 H new ATOM 0 HG3 LYS A 46 45.517 35.403 33.743 1.00 0.00 H new ATOM 0 HD2 LYS A 46 45.718 33.430 31.483 1.00 0.00 H new ATOM 0 HD3 LYS A 46 46.835 33.274 32.824 1.00 0.00 H new ATOM 0 HE2 LYS A 46 43.792 33.271 33.086 1.00 0.00 H new ATOM 0 HE3 LYS A 46 44.800 31.838 33.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 44.475 32.292 35.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 46.015 32.945 35.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 44.664 33.968 35.119 1.00 0.00 H new ATOM 721 N MET A 47 42.267 37.275 30.437 1.00 0.00 N ATOM 722 CA MET A 47 41.299 38.353 30.176 1.00 0.00 C ATOM 723 C MET A 47 39.841 37.963 30.502 1.00 0.00 C ATOM 724 O MET A 47 38.961 38.826 30.509 1.00 0.00 O ATOM 725 CB MET A 47 41.478 38.882 28.735 1.00 0.00 C ATOM 726 CG MET A 47 40.886 38.009 27.631 1.00 0.00 C ATOM 727 SD MET A 47 40.983 38.778 25.994 1.00 0.00 S ATOM 728 CE MET A 47 39.798 37.701 25.148 1.00 0.00 C ATOM 0 H MET A 47 42.692 36.904 29.587 1.00 0.00 H new ATOM 0 HA MET A 47 41.516 39.168 30.866 1.00 0.00 H new ATOM 0 HB2 MET A 47 41.026 39.872 28.672 1.00 0.00 H new ATOM 0 HB3 MET A 47 42.544 39.006 28.543 1.00 0.00 H new ATOM 0 HG2 MET A 47 41.411 37.054 27.610 1.00 0.00 H new ATOM 0 HG3 MET A 47 39.843 37.794 27.865 1.00 0.00 H new ATOM 0 HE1 MET A 47 39.720 37.997 24.102 1.00 0.00 H new ATOM 0 HE2 MET A 47 40.138 36.667 25.209 1.00 0.00 H new ATOM 0 HE3 MET A 47 38.821 37.790 25.624 1.00 0.00 H new ATOM 738 N TYR A 48 39.576 36.679 30.782 1.00 0.00 N ATOM 739 CA TYR A 48 38.278 36.166 31.232 1.00 0.00 C ATOM 740 C TYR A 48 38.275 35.838 32.742 1.00 0.00 C ATOM 741 O TYR A 48 37.356 36.217 33.468 1.00 0.00 O ATOM 742 CB TYR A 48 37.957 34.915 30.396 1.00 0.00 C ATOM 743 CG TYR A 48 36.869 34.063 31.009 1.00 0.00 C ATOM 744 CD1 TYR A 48 35.534 34.499 31.010 1.00 0.00 C ATOM 745 CD2 TYR A 48 37.216 32.854 31.640 1.00 0.00 C ATOM 746 CE1 TYR A 48 34.544 33.724 31.641 1.00 0.00 C ATOM 747 CE2 TYR A 48 36.225 32.058 32.239 1.00 0.00 C ATOM 748 CZ TYR A 48 34.882 32.499 32.259 1.00 0.00 C ATOM 749 OH TYR A 48 33.919 31.748 32.858 1.00 0.00 O ATOM 0 H TYR A 48 40.282 35.948 30.698 1.00 0.00 H new ATOM 0 HA TYR A 48 37.515 36.931 31.088 1.00 0.00 H new ATOM 0 HB2 TYR A 48 37.652 35.221 29.395 1.00 0.00 H new ATOM 0 HB3 TYR A 48 38.861 34.317 30.284 1.00 0.00 H new ATOM 0 HD1 TYR A 48 35.268 35.428 30.527 1.00 0.00 H new ATOM 0 HD2 TYR A 48 38.248 32.537 31.664 1.00 0.00 H new ATOM 0 HE1 TYR A 48 33.520 34.067 31.653 1.00 0.00 H new ATOM 0 HE2 TYR A 48 36.489 31.110 32.684 1.00 0.00 H new ATOM 0 HH TYR A 48 34.256 30.839 33.004 1.00 0.00 H new ATOM 759 N MET A 49 39.317 35.145 33.214 1.00 0.00 N ATOM 760 CA MET A 49 39.507 34.635 34.577 1.00 0.00 C ATOM 761 C MET A 49 39.829 35.735 35.606 1.00 0.00 C ATOM 762 O MET A 49 39.800 35.451 36.803 1.00 0.00 O ATOM 763 CB MET A 49 40.602 33.543 34.561 1.00 0.00 C ATOM 764 CG MET A 49 40.155 32.195 33.976 1.00 0.00 C ATOM 765 SD MET A 49 38.685 31.410 34.699 1.00 0.00 S ATOM 766 CE MET A 49 39.248 31.259 36.417 1.00 0.00 C ATOM 0 H MET A 49 40.105 34.909 32.611 1.00 0.00 H new ATOM 0 HA MET A 49 38.559 34.207 34.903 1.00 0.00 H new ATOM 0 HB2 MET A 49 41.453 33.909 33.986 1.00 0.00 H new ATOM 0 HB3 MET A 49 40.952 33.383 35.581 1.00 0.00 H new ATOM 0 HG2 MET A 49 39.971 32.336 32.911 1.00 0.00 H new ATOM 0 HG3 MET A 49 40.987 31.497 34.066 1.00 0.00 H new ATOM 0 HE1 MET A 49 38.521 30.683 36.989 1.00 0.00 H new ATOM 0 HE2 MET A 49 40.212 30.751 36.441 1.00 0.00 H new ATOM 0 HE3 MET A 49 39.350 32.252 36.855 1.00 0.00 H new ATOM 776 N ALA A 50 40.077 36.974 35.169 1.00 0.00 N ATOM 777 CA ALA A 50 40.127 38.197 35.979 1.00 0.00 C ATOM 778 C ALA A 50 39.976 39.430 35.067 1.00 0.00 C ATOM 779 O ALA A 50 40.440 39.409 33.924 1.00 0.00 O ATOM 780 CB ALA A 50 41.438 38.237 36.775 1.00 0.00 C ATOM 0 H ALA A 50 40.259 37.162 34.183 1.00 0.00 H new ATOM 0 HA ALA A 50 39.303 38.205 36.692 1.00 0.00 H new ATOM 0 HB1 ALA A 50 41.472 39.146 37.375 1.00 0.00 H new ATOM 0 HB2 ALA A 50 41.493 37.368 37.430 1.00 0.00 H new ATOM 0 HB3 ALA A 50 42.283 38.226 36.086 1.00 0.00 H new ATOM 786 N THR A 51 39.348 40.511 35.546 1.00 0.00 N ATOM 787 CA THR A 51 39.113 41.725 34.743 1.00 0.00 C ATOM 788 C THR A 51 40.387 42.567 34.669 1.00 0.00 C ATOM 789 O THR A 51 41.197 42.569 35.596 1.00 0.00 O ATOM 790 CB THR A 51 37.884 42.480 35.268 1.00 0.00 C ATOM 791 OG1 THR A 51 36.765 41.676 34.956 1.00 0.00 O ATOM 792 CG2 THR A 51 37.643 43.838 34.608 1.00 0.00 C ATOM 0 H THR A 51 38.988 40.572 36.498 1.00 0.00 H new ATOM 0 HA THR A 51 38.877 41.456 33.713 1.00 0.00 H new ATOM 0 HB THR A 51 38.043 42.665 36.330 1.00 0.00 H new ATOM 0 HG1 THR A 51 35.948 42.115 35.274 1.00 0.00 H new ATOM 0 HG21 THR A 51 36.755 44.300 35.040 1.00 0.00 H new ATOM 0 HG22 THR A 51 38.506 44.483 34.776 1.00 0.00 H new ATOM 0 HG23 THR A 51 37.496 43.701 33.537 1.00 0.00 H new ATOM 800 N TYR A 52 40.587 43.253 33.544 1.00 0.00 N ATOM 801 CA TYR A 52 41.792 44.046 33.271 1.00 0.00 C ATOM 802 C TYR A 52 41.892 45.320 34.138 1.00 0.00 C ATOM 803 O TYR A 52 40.882 45.957 34.452 1.00 0.00 O ATOM 804 CB TYR A 52 41.852 44.368 31.767 1.00 0.00 C ATOM 805 CG TYR A 52 43.236 44.754 31.273 1.00 0.00 C ATOM 806 CD1 TYR A 52 43.711 46.067 31.443 1.00 0.00 C ATOM 807 CD2 TYR A 52 44.065 43.788 30.669 1.00 0.00 C ATOM 808 CE1 TYR A 52 45.017 46.409 31.042 1.00 0.00 C ATOM 809 CE2 TYR A 52 45.365 44.128 30.247 1.00 0.00 C ATOM 810 CZ TYR A 52 45.848 45.444 30.434 1.00 0.00 C ATOM 811 OH TYR A 52 47.102 45.779 30.025 1.00 0.00 O ATOM 0 H TYR A 52 39.908 43.276 32.783 1.00 0.00 H new ATOM 0 HA TYR A 52 42.660 43.448 33.549 1.00 0.00 H new ATOM 0 HB2 TYR A 52 41.506 43.500 31.206 1.00 0.00 H new ATOM 0 HB3 TYR A 52 41.160 45.183 31.552 1.00 0.00 H new ATOM 0 HD1 TYR A 52 43.071 46.817 31.883 1.00 0.00 H new ATOM 0 HD2 TYR A 52 43.701 42.781 30.529 1.00 0.00 H new ATOM 0 HE1 TYR A 52 45.384 47.413 31.200 1.00 0.00 H new ATOM 0 HE2 TYR A 52 45.993 43.384 29.780 1.00 0.00 H new ATOM 0 HH TYR A 52 47.537 44.995 29.629 1.00 0.00 H new ATOM 821 N HIS A 53 43.131 45.686 34.489 1.00 0.00 N ATOM 822 CA HIS A 53 43.527 46.849 35.296 1.00 0.00 C ATOM 823 C HIS A 53 42.956 48.180 34.808 1.00 0.00 C ATOM 824 O HIS A 53 43.262 48.613 33.679 1.00 0.00 O ATOM 825 CB HIS A 53 45.068 46.888 35.334 1.00 0.00 C ATOM 826 CG HIS A 53 45.703 45.633 35.878 1.00 0.00 C ATOM 827 ND1 HIS A 53 46.082 44.510 35.128 1.00 0.00 N ATOM 828 CD2 HIS A 53 45.930 45.387 37.197 1.00 0.00 C ATOM 829 CE1 HIS A 53 46.534 43.619 36.031 1.00 0.00 C ATOM 830 NE2 HIS A 53 46.454 44.118 37.275 1.00 0.00 N ATOM 831 OXT HIS A 53 42.261 48.863 35.592 1.00 0.00 O ATOM 0 H HIS A 53 43.941 45.139 34.196 1.00 0.00 H new ATOM 0 HA HIS A 53 43.106 46.725 36.294 1.00 0.00 H new ATOM 0 HB2 HIS A 53 45.441 47.063 34.325 1.00 0.00 H new ATOM 0 HB3 HIS A 53 45.384 47.735 35.942 1.00 0.00 H new ATOM 0 HD2 HIS A 53 45.736 46.057 38.021 1.00 0.00 H new ATOM 0 HE1 HIS A 53 46.910 42.636 35.788 1.00 0.00 H new ATOM 0 HE2 HIS A 53 46.734 43.638 38.131 1.00 0.00 H new TER 839 HIS A 53