USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=19 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 Single : A 1 SER N :NH3+ -123:sc= 0.157 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0285 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.0389 X(o=-0.039,f=-0.039) USER MOD Single : A 5 THR OG1 : rot -127:sc= 1.14 USER MOD Single : A 15 HIS : no HD1:sc= 0.15 K(o=0.15,f=-1.6!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.527 USER MOD Single : A 17 ASN : amide:sc= -0.0438 K(o=-0.044,f=-1) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -171:sc= -0.0149 (180deg=-0.121) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.728 K(o=-0.73,f=-6.6!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0231 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 9:sc= 0.309 USER MOD Single : A 42 MET CE :methyl -179:sc= 0 (180deg=-0.00401) USER MOD Single : A 44 THR OG1 : rot 155:sc= 1.27 USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00251) USER MOD Single : A 47 MET CE :methyl 168:sc= -0.0194 (180deg=-0.311) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -161:sc= -0.0254 (180deg=-0.531) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 27.041 39.974 27.993 1.00 0.00 N ATOM 2 CA SER A 1 27.149 39.152 26.772 1.00 0.00 C ATOM 3 C SER A 1 28.112 37.994 27.011 1.00 0.00 C ATOM 4 O SER A 1 28.550 37.793 28.144 1.00 0.00 O ATOM 5 CB SER A 1 27.539 39.991 25.552 1.00 0.00 C ATOM 6 OG SER A 1 27.215 39.275 24.379 1.00 0.00 O ATOM 0 H1 SER A 1 26.046 40.024 28.291 1.00 0.00 H new ATOM 0 H2 SER A 1 27.608 39.545 28.752 1.00 0.00 H new ATOM 0 H3 SER A 1 27.393 40.933 27.798 1.00 0.00 H new ATOM 0 HA SER A 1 26.168 38.735 26.546 1.00 0.00 H new ATOM 0 HB2 SER A 1 27.013 40.946 25.568 1.00 0.00 H new ATOM 0 HB3 SER A 1 28.606 40.214 25.574 1.00 0.00 H new ATOM 0 HG SER A 1 27.460 39.807 23.593 1.00 0.00 H new ATOM 12 N MET A 2 28.458 37.231 25.971 1.00 0.00 N ATOM 13 CA MET A 2 29.563 36.262 25.998 1.00 0.00 C ATOM 14 C MET A 2 30.920 36.983 26.026 1.00 0.00 C ATOM 15 O MET A 2 31.048 38.092 25.502 1.00 0.00 O ATOM 16 CB MET A 2 29.474 35.335 24.775 1.00 0.00 C ATOM 17 CG MET A 2 28.282 34.371 24.859 1.00 0.00 C ATOM 18 SD MET A 2 28.464 33.041 26.080 1.00 0.00 S ATOM 19 CE MET A 2 26.833 32.288 25.867 1.00 0.00 C ATOM 0 H MET A 2 27.974 37.267 25.074 1.00 0.00 H new ATOM 0 HA MET A 2 29.479 35.663 26.905 1.00 0.00 H new ATOM 0 HB2 MET A 2 29.388 35.938 23.871 1.00 0.00 H new ATOM 0 HB3 MET A 2 30.397 34.761 24.689 1.00 0.00 H new ATOM 0 HG2 MET A 2 27.386 34.944 25.097 1.00 0.00 H new ATOM 0 HG3 MET A 2 28.124 33.925 23.877 1.00 0.00 H new ATOM 0 HE1 MET A 2 26.736 31.435 26.538 1.00 0.00 H new ATOM 0 HE2 MET A 2 26.061 33.022 26.098 1.00 0.00 H new ATOM 0 HE3 MET A 2 26.719 31.953 24.836 1.00 0.00 H new ATOM 29 N VAL A 3 31.931 36.354 26.622 1.00 0.00 N ATOM 30 CA VAL A 3 33.309 36.862 26.722 1.00 0.00 C ATOM 31 C VAL A 3 34.266 35.858 26.072 1.00 0.00 C ATOM 32 O VAL A 3 34.035 34.650 26.123 1.00 0.00 O ATOM 33 CB VAL A 3 33.713 37.103 28.198 1.00 0.00 C ATOM 34 CG1 VAL A 3 35.048 37.868 28.305 1.00 0.00 C ATOM 35 CG2 VAL A 3 32.647 37.906 28.967 1.00 0.00 C ATOM 0 H VAL A 3 31.815 35.443 27.066 1.00 0.00 H new ATOM 0 HA VAL A 3 33.366 37.818 26.201 1.00 0.00 H new ATOM 0 HB VAL A 3 33.813 36.112 28.640 1.00 0.00 H new ATOM 0 HG11 VAL A 3 35.298 38.018 29.355 1.00 0.00 H new ATOM 0 HG12 VAL A 3 35.837 37.291 27.823 1.00 0.00 H new ATOM 0 HG13 VAL A 3 34.953 38.836 27.813 1.00 0.00 H new ATOM 0 HG21 VAL A 3 32.973 38.051 29.997 1.00 0.00 H new ATOM 0 HG22 VAL A 3 32.509 38.877 28.491 1.00 0.00 H new ATOM 0 HG23 VAL A 3 31.704 37.360 28.958 1.00 0.00 H new ATOM 45 N ASN A 4 35.354 36.354 25.472 1.00 0.00 N ATOM 46 CA ASN A 4 36.418 35.509 24.930 1.00 0.00 C ATOM 47 C ASN A 4 37.036 34.631 26.038 1.00 0.00 C ATOM 48 O ASN A 4 37.578 35.154 27.011 1.00 0.00 O ATOM 49 CB ASN A 4 37.510 36.381 24.284 1.00 0.00 C ATOM 50 CG ASN A 4 36.992 37.382 23.255 1.00 0.00 C ATOM 51 OD1 ASN A 4 37.098 38.588 23.447 1.00 0.00 O ATOM 52 ND2 ASN A 4 36.416 36.944 22.151 1.00 0.00 N ATOM 0 H ASN A 4 35.519 37.353 25.350 1.00 0.00 H new ATOM 0 HA ASN A 4 35.984 34.857 24.172 1.00 0.00 H new ATOM 0 HB2 ASN A 4 38.035 36.925 25.069 1.00 0.00 H new ATOM 0 HB3 ASN A 4 38.241 35.730 23.804 1.00 0.00 H new ATOM 0 HD21 ASN A 4 36.062 37.608 21.463 1.00 0.00 H new ATOM 0 HD22 ASN A 4 36.325 35.941 21.986 1.00 0.00 H new ATOM 59 N THR A 5 36.990 33.304 25.885 1.00 0.00 N ATOM 60 CA THR A 5 37.673 32.326 26.743 1.00 0.00 C ATOM 61 C THR A 5 38.742 31.648 25.922 1.00 0.00 C ATOM 62 O THR A 5 38.598 31.398 24.724 1.00 0.00 O ATOM 63 CB THR A 5 36.723 31.254 27.283 1.00 0.00 C ATOM 64 OG1 THR A 5 36.099 30.567 26.231 1.00 0.00 O ATOM 65 CG2 THR A 5 35.685 31.887 28.181 1.00 0.00 C ATOM 0 H THR A 5 36.458 32.864 25.134 1.00 0.00 H new ATOM 0 HA THR A 5 38.089 32.860 27.598 1.00 0.00 H new ATOM 0 HB THR A 5 37.305 30.537 27.862 1.00 0.00 H new ATOM 0 HG1 THR A 5 35.128 30.581 26.362 1.00 0.00 H new ATOM 0 HG21 THR A 5 35.014 31.117 28.560 1.00 0.00 H new ATOM 0 HG22 THR A 5 36.180 32.381 29.017 1.00 0.00 H new ATOM 0 HG23 THR A 5 35.112 32.621 27.614 1.00 0.00 H new ATOM 73 N GLY A 6 39.790 31.263 26.625 1.00 0.00 N ATOM 74 CA GLY A 6 40.713 30.235 26.193 1.00 0.00 C ATOM 75 C GLY A 6 40.300 28.792 26.511 1.00 0.00 C ATOM 76 O GLY A 6 41.149 27.897 26.436 1.00 0.00 O ATOM 0 H GLY A 6 40.027 31.666 27.532 1.00 0.00 H new ATOM 0 HA2 GLY A 6 40.850 30.325 25.115 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.682 30.426 26.654 1.00 0.00 H new ATOM 80 N LEU A 7 39.064 28.558 26.974 1.00 0.00 N ATOM 81 CA LEU A 7 38.640 27.264 27.533 1.00 0.00 C ATOM 82 C LEU A 7 38.653 26.163 26.448 1.00 0.00 C ATOM 83 O LEU A 7 38.479 26.500 25.274 1.00 0.00 O ATOM 84 CB LEU A 7 37.276 27.398 28.237 1.00 0.00 C ATOM 85 CG LEU A 7 37.409 27.839 29.712 1.00 0.00 C ATOM 86 CD1 LEU A 7 36.037 28.274 30.238 1.00 0.00 C ATOM 87 CD2 LEU A 7 37.957 26.717 30.618 1.00 0.00 C ATOM 0 H LEU A 7 38.327 29.263 26.972 1.00 0.00 H new ATOM 0 HA LEU A 7 39.357 26.955 28.294 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.663 28.122 27.699 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.753 26.443 28.193 1.00 0.00 H new ATOM 0 HG LEU A 7 38.119 28.665 29.739 1.00 0.00 H new ATOM 0 HD11 LEU A 7 36.128 28.586 31.279 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.666 29.107 29.641 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.340 27.439 30.169 1.00 0.00 H new ATOM 0 HD21 LEU A 7 38.030 27.080 31.643 1.00 0.00 H new ATOM 0 HD22 LEU A 7 37.284 25.860 30.584 1.00 0.00 H new ATOM 0 HD23 LEU A 7 38.945 26.416 30.268 1.00 0.00 H new ATOM 99 N PRO A 8 38.888 24.878 26.795 1.00 0.00 N ATOM 100 CA PRO A 8 39.000 23.816 25.796 1.00 0.00 C ATOM 101 C PRO A 8 37.613 23.396 25.281 1.00 0.00 C ATOM 102 O PRO A 8 36.596 23.889 25.763 1.00 0.00 O ATOM 103 CB PRO A 8 39.709 22.691 26.543 1.00 0.00 C ATOM 104 CG PRO A 8 39.036 22.771 27.904 1.00 0.00 C ATOM 105 CD PRO A 8 38.985 24.284 28.136 1.00 0.00 C ATOM 0 HA PRO A 8 39.547 24.119 24.903 1.00 0.00 H new ATOM 0 HB2 PRO A 8 39.560 21.722 26.066 1.00 0.00 H new ATOM 0 HB3 PRO A 8 40.785 22.853 26.606 1.00 0.00 H new ATOM 0 HG2 PRO A 8 38.042 22.324 27.896 1.00 0.00 H new ATOM 0 HG3 PRO A 8 39.610 22.258 28.675 1.00 0.00 H new ATOM 0 HD2 PRO A 8 38.128 24.559 28.751 1.00 0.00 H new ATOM 0 HD3 PRO A 8 39.877 24.632 28.657 1.00 0.00 H new ATOM 113 N ALA A 9 37.568 22.463 24.322 1.00 0.00 N ATOM 114 CA ALA A 9 36.353 22.086 23.586 1.00 0.00 C ATOM 115 C ALA A 9 35.150 21.680 24.462 1.00 0.00 C ATOM 116 O ALA A 9 34.004 21.964 24.102 1.00 0.00 O ATOM 117 CB ALA A 9 36.732 20.968 22.605 1.00 0.00 C ATOM 0 H ALA A 9 38.392 21.938 24.029 1.00 0.00 H new ATOM 0 HA ALA A 9 35.998 22.976 23.066 1.00 0.00 H new ATOM 0 HB1 ALA A 9 35.850 20.664 22.041 1.00 0.00 H new ATOM 0 HB2 ALA A 9 37.495 21.331 21.917 1.00 0.00 H new ATOM 0 HB3 ALA A 9 37.120 20.114 23.159 1.00 0.00 H new ATOM 123 N GLY A 10 35.382 21.061 25.624 1.00 0.00 N ATOM 124 CA GLY A 10 34.335 20.579 26.536 1.00 0.00 C ATOM 125 C GLY A 10 33.691 21.657 27.415 1.00 0.00 C ATOM 126 O GLY A 10 33.481 21.399 28.599 1.00 0.00 O ATOM 0 H GLY A 10 36.325 20.876 25.966 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.554 20.099 25.946 1.00 0.00 H new ATOM 0 HA3 GLY A 10 34.763 19.813 27.183 1.00 0.00 H new ATOM 130 N TRP A 11 33.382 22.840 26.866 1.00 0.00 N ATOM 131 CA TRP A 11 32.830 23.977 27.617 1.00 0.00 C ATOM 132 C TRP A 11 31.476 24.521 27.104 1.00 0.00 C ATOM 133 O TRP A 11 31.158 24.476 25.911 1.00 0.00 O ATOM 134 CB TRP A 11 33.880 25.103 27.701 1.00 0.00 C ATOM 135 CG TRP A 11 33.867 26.120 26.595 1.00 0.00 C ATOM 136 CD1 TRP A 11 34.178 25.884 25.301 1.00 0.00 C ATOM 137 CD2 TRP A 11 33.516 27.541 26.658 1.00 0.00 C ATOM 138 NE1 TRP A 11 34.042 27.040 24.563 1.00 0.00 N ATOM 139 CE2 TRP A 11 33.628 28.095 25.346 1.00 0.00 C ATOM 140 CE3 TRP A 11 33.116 28.423 27.690 1.00 0.00 C ATOM 141 CZ2 TRP A 11 33.346 29.442 25.072 1.00 0.00 C ATOM 142 CZ3 TRP A 11 32.835 29.777 27.424 1.00 0.00 C ATOM 143 CH2 TRP A 11 32.944 30.288 26.118 1.00 0.00 C ATOM 0 H TRP A 11 33.510 23.037 25.873 1.00 0.00 H new ATOM 0 HA TRP A 11 32.602 23.588 28.609 1.00 0.00 H new ATOM 0 HB2 TRP A 11 33.743 25.627 28.647 1.00 0.00 H new ATOM 0 HB3 TRP A 11 34.869 24.645 27.731 1.00 0.00 H new ATOM 0 HD1 TRP A 11 34.488 24.929 24.903 1.00 0.00 H new ATOM 0 HE1 TRP A 11 34.225 27.106 23.562 1.00 0.00 H new ATOM 0 HE3 TRP A 11 33.025 28.051 28.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 33.437 29.824 24.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 32.533 30.429 28.230 1.00 0.00 H new ATOM 0 HH2 TRP A 11 32.720 31.326 25.921 1.00 0.00 H new ATOM 154 N GLU A 12 30.737 25.100 28.054 1.00 0.00 N ATOM 155 CA GLU A 12 29.453 25.811 27.997 1.00 0.00 C ATOM 156 C GLU A 12 29.177 26.204 29.460 1.00 0.00 C ATOM 157 O GLU A 12 29.152 25.318 30.311 1.00 0.00 O ATOM 158 CB GLU A 12 28.332 24.907 27.439 1.00 0.00 C ATOM 159 CG GLU A 12 26.923 25.523 27.461 1.00 0.00 C ATOM 160 CD GLU A 12 26.663 26.462 26.287 1.00 0.00 C ATOM 161 OE1 GLU A 12 26.985 27.671 26.365 1.00 0.00 O ATOM 162 OE2 GLU A 12 26.107 26.006 25.260 1.00 0.00 O ATOM 0 H GLU A 12 31.073 25.078 29.017 1.00 0.00 H new ATOM 0 HA GLU A 12 29.486 26.674 27.332 1.00 0.00 H new ATOM 0 HB2 GLU A 12 28.579 24.641 26.411 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.315 23.980 28.013 1.00 0.00 H new ATOM 0 HG2 GLU A 12 26.183 24.723 27.450 1.00 0.00 H new ATOM 0 HG3 GLU A 12 26.787 26.070 28.394 1.00 0.00 H new ATOM 169 N VAL A 13 29.047 27.486 29.806 1.00 0.00 N ATOM 170 CA VAL A 13 29.012 27.904 31.224 1.00 0.00 C ATOM 171 C VAL A 13 27.635 27.646 31.837 1.00 0.00 C ATOM 172 O VAL A 13 26.620 28.129 31.325 1.00 0.00 O ATOM 173 CB VAL A 13 29.386 29.384 31.456 1.00 0.00 C ATOM 174 CG1 VAL A 13 29.674 29.668 32.938 1.00 0.00 C ATOM 175 CG2 VAL A 13 30.614 29.811 30.631 1.00 0.00 C ATOM 0 H VAL A 13 28.964 28.252 29.137 1.00 0.00 H new ATOM 0 HA VAL A 13 29.773 27.296 31.713 1.00 0.00 H new ATOM 0 HB VAL A 13 28.521 29.962 31.131 1.00 0.00 H new ATOM 0 HG11 VAL A 13 29.934 30.719 33.063 1.00 0.00 H new ATOM 0 HG12 VAL A 13 28.788 29.440 33.531 1.00 0.00 H new ATOM 0 HG13 VAL A 13 30.505 29.047 33.273 1.00 0.00 H new ATOM 0 HG21 VAL A 13 30.838 30.859 30.828 1.00 0.00 H new ATOM 0 HG22 VAL A 13 31.471 29.198 30.910 1.00 0.00 H new ATOM 0 HG23 VAL A 13 30.403 29.678 29.570 1.00 0.00 H new ATOM 185 N ARG A 14 27.629 26.934 32.967 1.00 0.00 N ATOM 186 CA ARG A 14 26.461 26.695 33.812 1.00 0.00 C ATOM 187 C ARG A 14 26.695 27.264 35.218 1.00 0.00 C ATOM 188 O ARG A 14 27.519 26.766 35.979 1.00 0.00 O ATOM 189 CB ARG A 14 26.205 25.181 33.914 1.00 0.00 C ATOM 190 CG ARG A 14 25.764 24.470 32.623 1.00 0.00 C ATOM 191 CD ARG A 14 24.284 24.656 32.258 1.00 0.00 C ATOM 192 NE ARG A 14 24.007 25.932 31.577 1.00 0.00 N ATOM 193 CZ ARG A 14 23.150 26.874 31.950 1.00 0.00 C ATOM 194 NH1 ARG A 14 22.560 26.898 33.127 1.00 0.00 N ATOM 195 NH2 ARG A 14 22.868 27.820 31.089 1.00 0.00 N ATOM 0 H ARG A 14 28.473 26.491 33.331 1.00 0.00 H new ATOM 0 HA ARG A 14 25.597 27.189 33.368 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.118 24.704 34.271 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.441 25.015 34.673 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.376 24.834 31.797 1.00 0.00 H new ATOM 0 HG3 ARG A 14 25.967 23.404 32.725 1.00 0.00 H new ATOM 0 HD2 ARG A 14 23.970 23.834 31.615 1.00 0.00 H new ATOM 0 HD3 ARG A 14 23.683 24.599 33.166 1.00 0.00 H new ATOM 0 HE ARG A 14 24.533 26.112 30.722 1.00 0.00 H new ATOM 0 HH11 ARG A 14 22.753 26.165 33.809 1.00 0.00 H new ATOM 0 HH12 ARG A 14 21.910 27.650 33.356 1.00 0.00 H new ATOM 0 HH21 ARG A 14 23.303 27.816 30.166 1.00 0.00 H new ATOM 0 HH22 ARG A 14 22.213 28.561 31.341 1.00 0.00 H new ATOM 209 N HIS A 15 25.929 28.289 35.583 1.00 0.00 N ATOM 210 CA HIS A 15 25.783 28.760 36.966 1.00 0.00 C ATOM 211 C HIS A 15 24.652 28.019 37.715 1.00 0.00 C ATOM 212 O HIS A 15 23.816 27.351 37.101 1.00 0.00 O ATOM 213 CB HIS A 15 25.598 30.287 36.968 1.00 0.00 C ATOM 214 CG HIS A 15 24.477 30.838 36.119 1.00 0.00 C ATOM 215 ND1 HIS A 15 23.570 30.110 35.338 1.00 0.00 N ATOM 216 CD2 HIS A 15 24.251 32.167 35.932 1.00 0.00 C ATOM 217 CE1 HIS A 15 22.833 31.030 34.692 1.00 0.00 C ATOM 218 NE2 HIS A 15 23.212 32.269 35.038 1.00 0.00 N ATOM 0 H HIS A 15 25.379 28.829 34.915 1.00 0.00 H new ATOM 0 HA HIS A 15 26.694 28.527 37.518 1.00 0.00 H new ATOM 0 HB2 HIS A 15 25.434 30.608 37.997 1.00 0.00 H new ATOM 0 HB3 HIS A 15 26.531 30.743 36.636 1.00 0.00 H new ATOM 0 HD2 HIS A 15 24.785 32.983 36.396 1.00 0.00 H new ATOM 0 HE1 HIS A 15 22.044 30.803 33.991 1.00 0.00 H new ATOM 0 HE2 HIS A 15 22.800 33.137 34.697 1.00 0.00 H new ATOM 226 N SER A 16 24.622 28.099 39.045 1.00 0.00 N ATOM 227 CA SER A 16 23.761 27.253 39.879 1.00 0.00 C ATOM 228 C SER A 16 23.522 27.835 41.278 1.00 0.00 C ATOM 229 O SER A 16 24.430 28.382 41.904 1.00 0.00 O ATOM 230 CB SER A 16 24.417 25.869 39.990 1.00 0.00 C ATOM 231 OG SER A 16 23.774 25.030 40.932 1.00 0.00 O ATOM 0 H SER A 16 25.195 28.753 39.578 1.00 0.00 H new ATOM 0 HA SER A 16 22.782 27.191 39.404 1.00 0.00 H new ATOM 0 HB2 SER A 16 24.404 25.387 39.013 1.00 0.00 H new ATOM 0 HB3 SER A 16 25.463 25.989 40.272 1.00 0.00 H new ATOM 0 HG SER A 16 24.229 24.163 40.962 1.00 0.00 H new ATOM 237 N ASN A 17 22.317 27.639 41.820 1.00 0.00 N ATOM 238 CA ASN A 17 21.996 27.938 43.219 1.00 0.00 C ATOM 239 C ASN A 17 22.639 26.947 44.212 1.00 0.00 C ATOM 240 O ASN A 17 22.585 27.177 45.418 1.00 0.00 O ATOM 241 CB ASN A 17 20.466 27.983 43.399 1.00 0.00 C ATOM 242 CG ASN A 17 19.844 29.328 43.035 1.00 0.00 C ATOM 243 OD1 ASN A 17 20.445 30.383 43.197 1.00 0.00 O ATOM 244 ND2 ASN A 17 18.603 29.353 42.592 1.00 0.00 N ATOM 0 H ASN A 17 21.528 27.264 41.294 1.00 0.00 H new ATOM 0 HA ASN A 17 22.423 28.914 43.451 1.00 0.00 H new ATOM 0 HB2 ASN A 17 20.014 27.205 42.784 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.224 27.750 44.436 1.00 0.00 H new ATOM 0 HD21 ASN A 17 18.152 30.245 42.388 1.00 0.00 H new ATOM 0 HD22 ASN A 17 18.093 28.480 42.453 1.00 0.00 H new ATOM 251 N SER A 18 23.265 25.863 43.751 1.00 0.00 N ATOM 252 CA SER A 18 23.985 24.918 44.620 1.00 0.00 C ATOM 253 C SER A 18 25.480 25.253 44.787 1.00 0.00 C ATOM 254 O SER A 18 26.130 24.686 45.668 1.00 0.00 O ATOM 255 CB SER A 18 23.866 23.495 44.058 1.00 0.00 C ATOM 256 OG SER A 18 22.516 23.107 43.865 1.00 0.00 O ATOM 0 H SER A 18 23.290 25.611 42.763 1.00 0.00 H new ATOM 0 HA SER A 18 23.518 24.997 45.602 1.00 0.00 H new ATOM 0 HB2 SER A 18 24.399 23.435 43.109 1.00 0.00 H new ATOM 0 HB3 SER A 18 24.350 22.795 44.740 1.00 0.00 H new ATOM 0 HG SER A 18 22.486 22.196 43.505 1.00 0.00 H new ATOM 262 N LYS A 19 26.061 26.126 43.952 1.00 0.00 N ATOM 263 CA LYS A 19 27.521 26.248 43.776 1.00 0.00 C ATOM 264 C LYS A 19 28.053 27.670 44.039 1.00 0.00 C ATOM 265 O LYS A 19 27.405 28.658 43.702 1.00 0.00 O ATOM 266 CB LYS A 19 27.890 25.822 42.339 1.00 0.00 C ATOM 267 CG LYS A 19 27.378 24.443 41.886 1.00 0.00 C ATOM 268 CD LYS A 19 27.959 23.249 42.658 1.00 0.00 C ATOM 269 CE LYS A 19 29.449 22.990 42.397 1.00 0.00 C ATOM 270 NZ LYS A 19 29.723 22.677 40.975 1.00 0.00 N ATOM 0 H LYS A 19 25.528 26.775 43.373 1.00 0.00 H new ATOM 0 HA LYS A 19 27.988 25.597 44.515 1.00 0.00 H new ATOM 0 HB2 LYS A 19 27.505 26.574 41.650 1.00 0.00 H new ATOM 0 HB3 LYS A 19 28.976 25.831 42.247 1.00 0.00 H new ATOM 0 HG2 LYS A 19 26.292 24.425 41.983 1.00 0.00 H new ATOM 0 HG3 LYS A 19 27.606 24.317 40.827 1.00 0.00 H new ATOM 0 HD2 LYS A 19 27.813 23.416 43.725 1.00 0.00 H new ATOM 0 HD3 LYS A 19 27.396 22.353 42.396 1.00 0.00 H new ATOM 0 HE2 LYS A 19 30.025 23.867 42.692 1.00 0.00 H new ATOM 0 HE3 LYS A 19 29.787 22.162 43.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 30.709 22.361 40.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 29.083 21.922 40.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 29.570 23.528 40.397 1.00 0.00 H new ATOM 284 N ASN A 20 29.275 27.790 44.568 1.00 0.00 N ATOM 285 CA ASN A 20 29.952 29.084 44.784 1.00 0.00 C ATOM 286 C ASN A 20 30.637 29.655 43.526 1.00 0.00 C ATOM 287 O ASN A 20 31.094 30.799 43.534 1.00 0.00 O ATOM 288 CB ASN A 20 30.982 28.929 45.909 1.00 0.00 C ATOM 289 CG ASN A 20 30.322 28.622 47.242 1.00 0.00 C ATOM 290 OD1 ASN A 20 30.375 27.502 47.733 1.00 0.00 O ATOM 291 ND2 ASN A 20 29.680 29.594 47.858 1.00 0.00 N ATOM 0 H ASN A 20 29.832 26.988 44.863 1.00 0.00 H new ATOM 0 HA ASN A 20 29.176 29.801 45.053 1.00 0.00 H new ATOM 0 HB2 ASN A 20 31.679 28.130 45.656 1.00 0.00 H new ATOM 0 HB3 ASN A 20 31.566 29.845 45.995 1.00 0.00 H new ATOM 0 HD21 ASN A 20 29.222 29.416 48.752 1.00 0.00 H new ATOM 0 HD22 ASN A 20 29.641 30.524 47.441 1.00 0.00 H new ATOM 298 N LEU A 21 30.721 28.865 42.453 1.00 0.00 N ATOM 299 CA LEU A 21 31.252 29.223 41.136 1.00 0.00 C ATOM 300 C LEU A 21 30.381 28.571 40.047 1.00 0.00 C ATOM 301 O LEU A 21 29.586 27.680 40.370 1.00 0.00 O ATOM 302 CB LEU A 21 32.714 28.724 41.033 1.00 0.00 C ATOM 303 CG LEU A 21 33.769 29.634 41.689 1.00 0.00 C ATOM 304 CD1 LEU A 21 35.141 28.952 41.579 1.00 0.00 C ATOM 305 CD2 LEU A 21 33.856 31.031 41.051 1.00 0.00 C ATOM 0 H LEU A 21 30.400 27.897 42.483 1.00 0.00 H new ATOM 0 HA LEU A 21 31.235 30.304 40.999 1.00 0.00 H new ATOM 0 HB2 LEU A 21 32.776 27.736 41.490 1.00 0.00 H new ATOM 0 HB3 LEU A 21 32.966 28.605 39.979 1.00 0.00 H new ATOM 0 HG LEU A 21 33.468 29.778 42.727 1.00 0.00 H new ATOM 0 HD11 LEU A 21 35.900 29.585 42.040 1.00 0.00 H new ATOM 0 HD12 LEU A 21 35.111 27.990 42.091 1.00 0.00 H new ATOM 0 HD13 LEU A 21 35.387 28.797 40.529 1.00 0.00 H new ATOM 0 HD21 LEU A 21 34.619 31.618 41.563 1.00 0.00 H new ATOM 0 HD22 LEU A 21 34.119 30.934 39.998 1.00 0.00 H new ATOM 0 HD23 LEU A 21 32.892 31.532 41.140 1.00 0.00 H new ATOM 317 N PRO A 22 30.531 28.958 38.767 1.00 0.00 N ATOM 318 CA PRO A 22 30.015 28.173 37.656 1.00 0.00 C ATOM 319 C PRO A 22 30.799 26.858 37.526 1.00 0.00 C ATOM 320 O PRO A 22 31.882 26.685 38.092 1.00 0.00 O ATOM 321 CB PRO A 22 30.169 29.068 36.417 1.00 0.00 C ATOM 322 CG PRO A 22 31.396 29.916 36.761 1.00 0.00 C ATOM 323 CD PRO A 22 31.276 30.110 38.274 1.00 0.00 C ATOM 0 HA PRO A 22 28.973 27.885 37.794 1.00 0.00 H new ATOM 0 HB2 PRO A 22 30.324 28.482 35.511 1.00 0.00 H new ATOM 0 HB3 PRO A 22 29.285 29.684 36.251 1.00 0.00 H new ATOM 0 HG2 PRO A 22 32.323 29.410 36.493 1.00 0.00 H new ATOM 0 HG3 PRO A 22 31.388 30.869 36.231 1.00 0.00 H new ATOM 0 HD2 PRO A 22 32.260 30.167 38.740 1.00 0.00 H new ATOM 0 HD3 PRO A 22 30.758 31.040 38.509 1.00 0.00 H new ATOM 331 N TYR A 23 30.259 25.942 36.730 1.00 0.00 N ATOM 332 CA TYR A 23 30.984 24.818 36.134 1.00 0.00 C ATOM 333 C TYR A 23 30.760 24.814 34.615 1.00 0.00 C ATOM 334 O TYR A 23 29.784 25.377 34.117 1.00 0.00 O ATOM 335 CB TYR A 23 30.546 23.491 36.776 1.00 0.00 C ATOM 336 CG TYR A 23 29.123 23.065 36.455 1.00 0.00 C ATOM 337 CD1 TYR A 23 28.045 23.598 37.185 1.00 0.00 C ATOM 338 CD2 TYR A 23 28.878 22.141 35.418 1.00 0.00 C ATOM 339 CE1 TYR A 23 26.725 23.218 36.881 1.00 0.00 C ATOM 340 CE2 TYR A 23 27.560 21.755 35.111 1.00 0.00 C ATOM 341 CZ TYR A 23 26.478 22.297 35.840 1.00 0.00 C ATOM 342 OH TYR A 23 25.202 21.947 35.519 1.00 0.00 O ATOM 0 H TYR A 23 29.273 25.959 36.471 1.00 0.00 H new ATOM 0 HA TYR A 23 32.051 24.931 36.324 1.00 0.00 H new ATOM 0 HB2 TYR A 23 31.227 22.705 36.451 1.00 0.00 H new ATOM 0 HB3 TYR A 23 30.649 23.576 37.858 1.00 0.00 H new ATOM 0 HD1 TYR A 23 28.232 24.302 37.982 1.00 0.00 H new ATOM 0 HD2 TYR A 23 29.704 21.729 34.858 1.00 0.00 H new ATOM 0 HE1 TYR A 23 25.901 23.631 37.444 1.00 0.00 H new ATOM 0 HE2 TYR A 23 27.376 21.045 34.319 1.00 0.00 H new ATOM 0 HH TYR A 23 25.215 21.304 34.779 1.00 0.00 H new ATOM 352 N TYR A 24 31.657 24.183 33.858 1.00 0.00 N ATOM 353 CA TYR A 24 31.570 24.170 32.397 1.00 0.00 C ATOM 354 C TYR A 24 31.034 22.810 31.923 1.00 0.00 C ATOM 355 O TYR A 24 31.660 21.771 32.126 1.00 0.00 O ATOM 356 CB TYR A 24 32.943 24.522 31.810 1.00 0.00 C ATOM 357 CG TYR A 24 33.555 25.777 32.413 1.00 0.00 C ATOM 358 CD1 TYR A 24 33.067 27.044 32.040 1.00 0.00 C ATOM 359 CD2 TYR A 24 34.551 25.679 33.406 1.00 0.00 C ATOM 360 CE1 TYR A 24 33.565 28.208 32.658 1.00 0.00 C ATOM 361 CE2 TYR A 24 35.043 26.837 34.039 1.00 0.00 C ATOM 362 CZ TYR A 24 34.547 28.108 33.669 1.00 0.00 C ATOM 363 OH TYR A 24 35.000 29.231 34.291 1.00 0.00 O ATOM 0 H TYR A 24 32.456 23.672 34.234 1.00 0.00 H new ATOM 0 HA TYR A 24 30.866 24.922 32.040 1.00 0.00 H new ATOM 0 HB2 TYR A 24 33.622 23.684 31.967 1.00 0.00 H new ATOM 0 HB3 TYR A 24 32.846 24.656 30.733 1.00 0.00 H new ATOM 0 HD1 TYR A 24 32.307 27.124 31.277 1.00 0.00 H new ATOM 0 HD2 TYR A 24 34.939 24.710 33.683 1.00 0.00 H new ATOM 0 HE1 TYR A 24 33.196 29.178 32.359 1.00 0.00 H new ATOM 0 HE2 TYR A 24 35.798 26.754 34.806 1.00 0.00 H new ATOM 0 HH TYR A 24 35.672 28.986 34.961 1.00 0.00 H new ATOM 373 N PHE A 25 29.853 22.796 31.314 1.00 0.00 N ATOM 374 CA PHE A 25 29.230 21.606 30.742 1.00 0.00 C ATOM 375 C PHE A 25 29.902 21.240 29.412 1.00 0.00 C ATOM 376 O PHE A 25 30.095 22.110 28.563 1.00 0.00 O ATOM 377 CB PHE A 25 27.738 21.915 30.566 1.00 0.00 C ATOM 378 CG PHE A 25 26.919 20.855 29.860 1.00 0.00 C ATOM 379 CD1 PHE A 25 26.512 19.703 30.558 1.00 0.00 C ATOM 380 CD2 PHE A 25 26.509 21.046 28.525 1.00 0.00 C ATOM 381 CE1 PHE A 25 25.678 18.759 29.932 1.00 0.00 C ATOM 382 CE2 PHE A 25 25.662 20.109 27.907 1.00 0.00 C ATOM 383 CZ PHE A 25 25.245 18.967 28.612 1.00 0.00 C ATOM 0 H PHE A 25 29.286 23.636 31.201 1.00 0.00 H new ATOM 0 HA PHE A 25 29.350 20.743 31.396 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.304 22.085 31.551 1.00 0.00 H new ATOM 0 HB3 PHE A 25 27.644 22.848 30.011 1.00 0.00 H new ATOM 0 HD1 PHE A 25 26.840 19.544 31.575 1.00 0.00 H new ATOM 0 HD2 PHE A 25 26.846 21.913 27.976 1.00 0.00 H new ATOM 0 HE1 PHE A 25 25.370 17.873 30.467 1.00 0.00 H new ATOM 0 HE2 PHE A 25 25.332 20.267 26.891 1.00 0.00 H new ATOM 0 HZ PHE A 25 24.591 18.249 28.139 1.00 0.00 H new ATOM 393 N ASN A 26 30.221 19.960 29.200 1.00 0.00 N ATOM 394 CA ASN A 26 30.641 19.481 27.883 1.00 0.00 C ATOM 395 C ASN A 26 29.388 19.083 27.068 1.00 0.00 C ATOM 396 O ASN A 26 28.706 18.130 27.453 1.00 0.00 O ATOM 397 CB ASN A 26 31.648 18.325 28.041 1.00 0.00 C ATOM 398 CG ASN A 26 32.242 17.871 26.709 1.00 0.00 C ATOM 399 OD1 ASN A 26 31.709 18.140 25.640 1.00 0.00 O ATOM 400 ND2 ASN A 26 33.375 17.197 26.718 1.00 0.00 N ATOM 0 H ASN A 26 30.196 19.240 29.922 1.00 0.00 H new ATOM 0 HA ASN A 26 31.155 20.269 27.332 1.00 0.00 H new ATOM 0 HB2 ASN A 26 32.454 18.639 28.705 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.152 17.480 28.519 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.801 16.904 25.839 1.00 0.00 H new ATOM 0 HD22 ASN A 26 33.826 16.969 27.604 1.00 0.00 H new ATOM 407 N PRO A 27 29.050 19.775 25.960 1.00 0.00 N ATOM 408 CA PRO A 27 27.914 19.395 25.125 1.00 0.00 C ATOM 409 C PRO A 27 28.197 18.147 24.278 1.00 0.00 C ATOM 410 O PRO A 27 27.290 17.343 24.068 1.00 0.00 O ATOM 411 CB PRO A 27 27.635 20.613 24.241 1.00 0.00 C ATOM 412 CG PRO A 27 28.999 21.290 24.125 1.00 0.00 C ATOM 413 CD PRO A 27 29.644 21.016 25.480 1.00 0.00 C ATOM 0 HA PRO A 27 27.054 19.128 25.739 1.00 0.00 H new ATOM 0 HB2 PRO A 27 27.248 20.320 23.265 1.00 0.00 H new ATOM 0 HB3 PRO A 27 26.895 21.275 24.692 1.00 0.00 H new ATOM 0 HG2 PRO A 27 29.587 20.872 23.308 1.00 0.00 H new ATOM 0 HG3 PRO A 27 28.903 22.359 23.934 1.00 0.00 H new ATOM 0 HD2 PRO A 27 30.726 20.921 25.386 1.00 0.00 H new ATOM 0 HD3 PRO A 27 29.455 21.834 26.175 1.00 0.00 H new ATOM 421 N ALA A 28 29.436 17.960 23.810 1.00 0.00 N ATOM 422 CA ALA A 28 29.803 16.919 22.852 1.00 0.00 C ATOM 423 C ALA A 28 29.996 15.527 23.482 1.00 0.00 C ATOM 424 O ALA A 28 29.930 14.523 22.766 1.00 0.00 O ATOM 425 CB ALA A 28 31.078 17.381 22.134 1.00 0.00 C ATOM 0 H ALA A 28 30.225 18.541 24.094 1.00 0.00 H new ATOM 0 HA ALA A 28 28.977 16.791 22.153 1.00 0.00 H new ATOM 0 HB1 ALA A 28 31.382 16.626 21.409 1.00 0.00 H new ATOM 0 HB2 ALA A 28 30.885 18.322 21.618 1.00 0.00 H new ATOM 0 HB3 ALA A 28 31.875 17.524 22.864 1.00 0.00 H new ATOM 431 N THR A 29 30.207 15.457 24.802 1.00 0.00 N ATOM 432 CA THR A 29 30.526 14.234 25.562 1.00 0.00 C ATOM 433 C THR A 29 29.925 14.354 26.956 1.00 0.00 C ATOM 434 O THR A 29 29.917 15.457 27.493 1.00 0.00 O ATOM 435 CB THR A 29 32.051 14.063 25.637 1.00 0.00 C ATOM 436 OG1 THR A 29 32.583 14.152 24.335 1.00 0.00 O ATOM 437 CG2 THR A 29 32.478 12.725 26.236 1.00 0.00 C ATOM 0 H THR A 29 30.159 16.283 25.398 1.00 0.00 H new ATOM 0 HA THR A 29 30.106 13.358 25.068 1.00 0.00 H new ATOM 0 HB THR A 29 32.428 14.851 26.289 1.00 0.00 H new ATOM 0 HG1 THR A 29 33.557 14.046 24.371 1.00 0.00 H new ATOM 0 HG21 THR A 29 33.566 12.668 26.260 1.00 0.00 H new ATOM 0 HG22 THR A 29 32.087 12.639 27.250 1.00 0.00 H new ATOM 0 HG23 THR A 29 32.086 11.911 25.626 1.00 0.00 H new ATOM 445 N ARG A 30 29.426 13.259 27.548 1.00 0.00 N ATOM 446 CA ARG A 30 28.640 13.257 28.806 1.00 0.00 C ATOM 447 C ARG A 30 29.410 13.586 30.116 1.00 0.00 C ATOM 448 O ARG A 30 29.227 12.918 31.138 1.00 0.00 O ATOM 449 CB ARG A 30 27.775 11.992 28.910 1.00 0.00 C ATOM 450 CG ARG A 30 28.635 10.734 29.029 1.00 0.00 C ATOM 451 CD ARG A 30 28.047 9.693 29.993 1.00 0.00 C ATOM 452 NE ARG A 30 28.105 10.163 31.388 1.00 0.00 N ATOM 453 CZ ARG A 30 27.650 9.520 32.458 1.00 0.00 C ATOM 454 NH1 ARG A 30 27.161 8.299 32.392 1.00 0.00 N ATOM 455 NH2 ARG A 30 27.682 10.109 33.632 1.00 0.00 N ATOM 0 H ARG A 30 29.557 12.324 27.162 1.00 0.00 H new ATOM 0 HA ARG A 30 27.985 14.123 28.718 1.00 0.00 H new ATOM 0 HB2 ARG A 30 27.119 12.069 29.777 1.00 0.00 H new ATOM 0 HB3 ARG A 30 27.135 11.915 28.031 1.00 0.00 H new ATOM 0 HG2 ARG A 30 28.749 10.284 28.043 1.00 0.00 H new ATOM 0 HG3 ARG A 30 29.632 11.013 29.369 1.00 0.00 H new ATOM 0 HD2 ARG A 30 27.013 9.485 29.720 1.00 0.00 H new ATOM 0 HD3 ARG A 30 28.596 8.756 29.899 1.00 0.00 H new ATOM 0 HE ARG A 30 28.538 11.073 31.548 1.00 0.00 H new ATOM 0 HH11 ARG A 30 27.122 7.813 31.496 1.00 0.00 H new ATOM 0 HH12 ARG A 30 26.821 7.839 33.237 1.00 0.00 H new ATOM 0 HH21 ARG A 30 28.055 11.055 33.718 1.00 0.00 H new ATOM 0 HH22 ARG A 30 27.334 9.621 34.457 1.00 0.00 H new ATOM 469 N GLU A 31 30.268 14.605 30.097 1.00 0.00 N ATOM 470 CA GLU A 31 31.145 15.037 31.192 1.00 0.00 C ATOM 471 C GLU A 31 31.002 16.554 31.462 1.00 0.00 C ATOM 472 O GLU A 31 30.189 17.250 30.847 1.00 0.00 O ATOM 473 CB GLU A 31 32.593 14.632 30.815 1.00 0.00 C ATOM 474 CG GLU A 31 33.617 14.544 31.961 1.00 0.00 C ATOM 475 CD GLU A 31 33.185 13.563 33.046 1.00 0.00 C ATOM 476 OE1 GLU A 31 32.469 13.974 33.986 1.00 0.00 O ATOM 477 OE2 GLU A 31 33.530 12.361 32.953 1.00 0.00 O ATOM 0 H GLU A 31 30.378 15.188 29.268 1.00 0.00 H new ATOM 0 HA GLU A 31 30.865 14.550 32.126 1.00 0.00 H new ATOM 0 HB2 GLU A 31 32.555 13.662 30.320 1.00 0.00 H new ATOM 0 HB3 GLU A 31 32.965 15.349 30.083 1.00 0.00 H new ATOM 0 HG2 GLU A 31 34.583 14.237 31.560 1.00 0.00 H new ATOM 0 HG3 GLU A 31 33.754 15.532 32.400 1.00 0.00 H new ATOM 484 N SER A 32 31.809 17.089 32.372 1.00 0.00 N ATOM 485 CA SER A 32 31.948 18.518 32.669 1.00 0.00 C ATOM 486 C SER A 32 33.401 18.858 33.056 1.00 0.00 C ATOM 487 O SER A 32 34.203 17.967 33.338 1.00 0.00 O ATOM 488 CB SER A 32 30.964 18.921 33.782 1.00 0.00 C ATOM 489 OG SER A 32 31.175 18.188 34.980 1.00 0.00 O ATOM 0 H SER A 32 32.416 16.512 32.954 1.00 0.00 H new ATOM 0 HA SER A 32 31.706 19.090 31.773 1.00 0.00 H new ATOM 0 HB2 SER A 32 31.068 19.986 33.988 1.00 0.00 H new ATOM 0 HB3 SER A 32 29.943 18.761 33.436 1.00 0.00 H new ATOM 0 HG SER A 32 30.530 18.478 35.659 1.00 0.00 H new ATOM 495 N ARG A 33 33.750 20.148 33.053 1.00 0.00 N ATOM 496 CA ARG A 33 35.059 20.679 33.438 1.00 0.00 C ATOM 497 C ARG A 33 34.892 21.618 34.641 1.00 0.00 C ATOM 498 O ARG A 33 33.996 22.465 34.669 1.00 0.00 O ATOM 499 CB ARG A 33 35.692 21.386 32.225 1.00 0.00 C ATOM 500 CG ARG A 33 37.225 21.464 32.276 1.00 0.00 C ATOM 501 CD ARG A 33 37.940 20.114 32.119 1.00 0.00 C ATOM 502 NE ARG A 33 37.597 19.431 30.858 1.00 0.00 N ATOM 503 CZ ARG A 33 37.072 18.218 30.709 1.00 0.00 C ATOM 504 NH1 ARG A 33 36.678 17.459 31.707 1.00 0.00 N ATOM 505 NH2 ARG A 33 36.932 17.738 29.498 1.00 0.00 N ATOM 0 H ARG A 33 33.100 20.881 32.770 1.00 0.00 H new ATOM 0 HA ARG A 33 35.731 19.876 33.741 1.00 0.00 H new ATOM 0 HB2 ARG A 33 35.395 20.862 31.317 1.00 0.00 H new ATOM 0 HB3 ARG A 33 35.289 22.397 32.156 1.00 0.00 H new ATOM 0 HG2 ARG A 33 37.568 22.135 31.489 1.00 0.00 H new ATOM 0 HG3 ARG A 33 37.522 21.909 33.226 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.018 20.271 32.160 1.00 0.00 H new ATOM 0 HD3 ARG A 33 37.679 19.470 32.959 1.00 0.00 H new ATOM 0 HE ARG A 33 37.784 19.949 30.000 1.00 0.00 H new ATOM 0 HH11 ARG A 33 36.767 17.792 32.667 1.00 0.00 H new ATOM 0 HH12 ARG A 33 36.283 16.537 31.522 1.00 0.00 H new ATOM 0 HH21 ARG A 33 37.223 18.292 28.693 1.00 0.00 H new ATOM 0 HH22 ARG A 33 36.532 16.810 29.360 1.00 0.00 H new ATOM 519 N TRP A 34 35.739 21.428 35.651 1.00 0.00 N ATOM 520 CA TRP A 34 35.453 21.830 37.035 1.00 0.00 C ATOM 521 C TRP A 34 36.112 23.174 37.401 1.00 0.00 C ATOM 522 O TRP A 34 35.446 24.080 37.897 1.00 0.00 O ATOM 523 CB TRP A 34 35.891 20.662 37.945 1.00 0.00 C ATOM 524 CG TRP A 34 35.595 19.293 37.386 1.00 0.00 C ATOM 525 CD1 TRP A 34 34.423 18.627 37.488 1.00 0.00 C ATOM 526 CD2 TRP A 34 36.435 18.468 36.512 1.00 0.00 C ATOM 527 NE1 TRP A 34 34.486 17.453 36.758 1.00 0.00 N ATOM 528 CE2 TRP A 34 35.702 17.309 36.127 1.00 0.00 C ATOM 529 CE3 TRP A 34 37.725 18.615 35.958 1.00 0.00 C ATOM 530 CZ2 TRP A 34 36.228 16.340 35.259 1.00 0.00 C ATOM 531 CZ3 TRP A 34 38.268 17.650 35.089 1.00 0.00 C ATOM 532 CH2 TRP A 34 37.524 16.508 34.743 1.00 0.00 C ATOM 0 H TRP A 34 36.652 20.987 35.535 1.00 0.00 H new ATOM 0 HA TRP A 34 34.387 22.016 37.170 1.00 0.00 H new ATOM 0 HB2 TRP A 34 36.962 20.742 38.129 1.00 0.00 H new ATOM 0 HB3 TRP A 34 35.394 20.763 38.910 1.00 0.00 H new ATOM 0 HD1 TRP A 34 33.566 18.961 38.054 1.00 0.00 H new ATOM 0 HE1 TRP A 34 33.725 16.777 36.695 1.00 0.00 H new ATOM 0 HE3 TRP A 34 38.309 19.489 36.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 35.642 15.473 34.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 39.261 17.787 34.686 1.00 0.00 H new ATOM 0 HH2 TRP A 34 37.947 15.764 34.084 1.00 0.00 H new ATOM 543 N GLU A 35 37.398 23.322 37.076 1.00 0.00 N ATOM 544 CA GLU A 35 38.170 24.574 37.043 1.00 0.00 C ATOM 545 C GLU A 35 38.875 24.678 35.666 1.00 0.00 C ATOM 546 O GLU A 35 38.834 23.702 34.906 1.00 0.00 O ATOM 547 CB GLU A 35 39.228 24.561 38.167 1.00 0.00 C ATOM 548 CG GLU A 35 38.666 24.392 39.585 1.00 0.00 C ATOM 549 CD GLU A 35 39.809 24.197 40.575 1.00 0.00 C ATOM 550 OE1 GLU A 35 40.257 23.040 40.757 1.00 0.00 O ATOM 551 OE2 GLU A 35 40.306 25.198 41.146 1.00 0.00 O ATOM 0 H GLU A 35 37.969 22.519 36.811 1.00 0.00 H new ATOM 0 HA GLU A 35 37.508 25.427 37.191 1.00 0.00 H new ATOM 0 HB2 GLU A 35 39.932 23.752 37.973 1.00 0.00 H new ATOM 0 HB3 GLU A 35 39.793 25.492 38.125 1.00 0.00 H new ATOM 0 HG2 GLU A 35 38.080 25.269 39.860 1.00 0.00 H new ATOM 0 HG3 GLU A 35 37.993 23.535 39.619 1.00 0.00 H new ATOM 558 N PRO A 36 39.546 25.793 35.309 1.00 0.00 N ATOM 559 CA PRO A 36 40.356 25.868 34.092 1.00 0.00 C ATOM 560 C PRO A 36 41.464 24.784 34.068 1.00 0.00 C ATOM 561 O PRO A 36 42.295 24.765 34.981 1.00 0.00 O ATOM 562 CB PRO A 36 40.917 27.294 34.050 1.00 0.00 C ATOM 563 CG PRO A 36 39.875 28.088 34.835 1.00 0.00 C ATOM 564 CD PRO A 36 39.457 27.106 35.927 1.00 0.00 C ATOM 0 HA PRO A 36 39.761 25.665 33.202 1.00 0.00 H new ATOM 0 HB2 PRO A 36 41.903 27.355 34.510 1.00 0.00 H new ATOM 0 HB3 PRO A 36 41.019 27.659 33.028 1.00 0.00 H new ATOM 0 HG2 PRO A 36 40.294 29.004 35.253 1.00 0.00 H new ATOM 0 HG3 PRO A 36 39.032 28.380 34.209 1.00 0.00 H new ATOM 0 HD2 PRO A 36 40.113 27.179 36.795 1.00 0.00 H new ATOM 0 HD3 PRO A 36 38.444 27.310 36.275 1.00 0.00 H new ATOM 572 N PRO A 37 41.478 23.879 33.063 1.00 0.00 N ATOM 573 CA PRO A 37 42.373 22.717 32.982 1.00 0.00 C ATOM 574 C PRO A 37 43.770 23.071 32.455 1.00 0.00 C ATOM 575 O PRO A 37 43.960 24.122 31.853 1.00 0.00 O ATOM 576 CB PRO A 37 41.685 21.751 32.011 1.00 0.00 C ATOM 577 CG PRO A 37 40.910 22.671 31.083 1.00 0.00 C ATOM 578 CD PRO A 37 40.492 23.814 31.992 1.00 0.00 C ATOM 0 HA PRO A 37 42.532 22.295 33.975 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.410 21.148 31.464 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.024 21.059 32.534 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.527 23.020 30.255 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.047 22.168 30.647 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.457 24.754 31.441 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.494 23.643 32.395 1.00 0.00 H new ATOM 586 N ALA A 38 44.736 22.153 32.586 1.00 0.00 N ATOM 587 CA ALA A 38 46.107 22.326 32.079 1.00 0.00 C ATOM 588 C ALA A 38 46.226 22.297 30.535 1.00 0.00 C ATOM 589 O ALA A 38 47.304 22.517 29.984 1.00 0.00 O ATOM 590 CB ALA A 38 46.986 21.256 32.739 1.00 0.00 C ATOM 0 H ALA A 38 44.588 21.258 33.052 1.00 0.00 H new ATOM 0 HA ALA A 38 46.445 23.327 32.346 1.00 0.00 H new ATOM 0 HB1 ALA A 38 48.011 21.357 32.383 1.00 0.00 H new ATOM 0 HB2 ALA A 38 46.963 21.383 33.821 1.00 0.00 H new ATOM 0 HB3 ALA A 38 46.609 20.266 32.482 1.00 0.00 H new ATOM 596 N ASP A 39 45.120 22.028 29.839 1.00 0.00 N ATOM 597 CA ASP A 39 44.970 21.991 28.375 1.00 0.00 C ATOM 598 C ASP A 39 44.484 23.338 27.781 1.00 0.00 C ATOM 599 O ASP A 39 44.389 23.488 26.559 1.00 0.00 O ATOM 600 CB ASP A 39 43.980 20.842 28.099 1.00 0.00 C ATOM 601 CG ASP A 39 43.580 20.656 26.633 1.00 0.00 C ATOM 602 OD1 ASP A 39 44.462 20.598 25.747 1.00 0.00 O ATOM 603 OD2 ASP A 39 42.355 20.598 26.368 1.00 0.00 O ATOM 0 H ASP A 39 44.242 21.815 30.312 1.00 0.00 H new ATOM 0 HA ASP A 39 45.931 21.824 27.888 1.00 0.00 H new ATOM 0 HB2 ASP A 39 44.420 19.912 28.458 1.00 0.00 H new ATOM 0 HB3 ASP A 39 43.077 21.015 28.685 1.00 0.00 H new ATOM 608 N THR A 40 44.140 24.318 28.632 1.00 0.00 N ATOM 609 CA THR A 40 43.497 25.592 28.251 1.00 0.00 C ATOM 610 C THR A 40 44.502 26.672 27.823 1.00 0.00 C ATOM 611 O THR A 40 45.710 26.456 27.862 1.00 0.00 O ATOM 612 CB THR A 40 42.578 26.005 29.400 1.00 0.00 C ATOM 613 OG1 THR A 40 41.592 26.873 28.936 1.00 0.00 O ATOM 614 CG2 THR A 40 43.294 26.722 30.540 1.00 0.00 C ATOM 0 H THR A 40 44.306 24.246 29.636 1.00 0.00 H new ATOM 0 HA THR A 40 42.896 25.456 27.352 1.00 0.00 H new ATOM 0 HB THR A 40 42.166 25.071 29.783 1.00 0.00 H new ATOM 0 HG1 THR A 40 41.627 26.914 27.957 1.00 0.00 H new ATOM 0 HG21 THR A 40 42.574 26.982 31.316 1.00 0.00 H new ATOM 0 HG22 THR A 40 44.058 26.067 30.959 1.00 0.00 H new ATOM 0 HG23 THR A 40 43.763 27.630 30.161 1.00 0.00 H new ATOM 622 N ASP A 41 44.019 27.840 27.387 1.00 0.00 N ATOM 623 CA ASP A 41 44.819 28.858 26.677 1.00 0.00 C ATOM 624 C ASP A 41 45.100 30.082 27.562 1.00 0.00 C ATOM 625 O ASP A 41 45.032 31.214 27.102 1.00 0.00 O ATOM 626 CB ASP A 41 44.096 29.252 25.379 1.00 0.00 C ATOM 627 CG ASP A 41 44.961 30.041 24.392 1.00 0.00 C ATOM 628 OD1 ASP A 41 46.122 29.643 24.134 1.00 0.00 O ATOM 629 OD2 ASP A 41 44.450 31.043 23.845 1.00 0.00 O ATOM 0 H ASP A 41 43.045 28.114 27.517 1.00 0.00 H new ATOM 0 HA ASP A 41 45.791 28.432 26.428 1.00 0.00 H new ATOM 0 HB2 ASP A 41 43.737 28.348 24.888 1.00 0.00 H new ATOM 0 HB3 ASP A 41 43.218 29.847 25.632 1.00 0.00 H new ATOM 634 N MET A 42 45.321 29.833 28.857 1.00 0.00 N ATOM 635 CA MET A 42 45.487 30.759 29.990 1.00 0.00 C ATOM 636 C MET A 42 45.834 32.225 29.712 1.00 0.00 C ATOM 637 O MET A 42 45.172 33.065 30.311 1.00 0.00 O ATOM 638 CB MET A 42 46.437 30.143 31.022 1.00 0.00 C ATOM 639 CG MET A 42 45.802 28.875 31.602 1.00 0.00 C ATOM 640 SD MET A 42 46.717 28.214 33.012 1.00 0.00 S ATOM 641 CE MET A 42 45.867 26.622 33.172 1.00 0.00 C ATOM 0 H MET A 42 45.397 28.867 29.176 1.00 0.00 H new ATOM 0 HA MET A 42 44.472 30.861 30.373 1.00 0.00 H new ATOM 0 HB2 MET A 42 47.393 29.904 30.556 1.00 0.00 H new ATOM 0 HB3 MET A 42 46.640 30.859 31.819 1.00 0.00 H new ATOM 0 HG2 MET A 42 44.779 29.094 31.909 1.00 0.00 H new ATOM 0 HG3 MET A 42 45.745 28.114 30.823 1.00 0.00 H new ATOM 0 HE1 MET A 42 46.286 26.069 34.013 1.00 0.00 H new ATOM 0 HE2 MET A 42 44.804 26.793 33.343 1.00 0.00 H new ATOM 0 HE3 MET A 42 45.999 26.045 32.257 1.00 0.00 H new ATOM 651 N GLU A 43 46.747 32.578 28.807 1.00 0.00 N ATOM 652 CA GLU A 43 46.955 33.977 28.388 1.00 0.00 C ATOM 653 C GLU A 43 45.636 34.658 27.944 1.00 0.00 C ATOM 654 O GLU A 43 45.312 35.758 28.397 1.00 0.00 O ATOM 655 CB GLU A 43 47.995 34.005 27.256 1.00 0.00 C ATOM 656 CG GLU A 43 48.587 35.404 27.060 1.00 0.00 C ATOM 657 CD GLU A 43 49.543 35.434 25.872 1.00 0.00 C ATOM 658 OE1 GLU A 43 50.757 35.165 26.037 1.00 0.00 O ATOM 659 OE2 GLU A 43 49.095 35.762 24.749 1.00 0.00 O ATOM 0 H GLU A 43 47.363 31.911 28.342 1.00 0.00 H new ATOM 0 HA GLU A 43 47.321 34.545 29.243 1.00 0.00 H new ATOM 0 HB2 GLU A 43 48.795 33.300 27.481 1.00 0.00 H new ATOM 0 HB3 GLU A 43 47.530 33.674 26.327 1.00 0.00 H new ATOM 0 HG2 GLU A 43 47.783 36.123 26.902 1.00 0.00 H new ATOM 0 HG3 GLU A 43 49.115 35.709 27.964 1.00 0.00 H new ATOM 666 N THR A 44 44.835 33.965 27.126 1.00 0.00 N ATOM 667 CA THR A 44 43.479 34.330 26.678 1.00 0.00 C ATOM 668 C THR A 44 42.425 34.141 27.763 1.00 0.00 C ATOM 669 O THR A 44 41.337 34.693 27.642 1.00 0.00 O ATOM 670 CB THR A 44 43.106 33.473 25.455 1.00 0.00 C ATOM 671 OG1 THR A 44 44.142 33.544 24.501 1.00 0.00 O ATOM 672 CG2 THR A 44 41.811 33.923 24.775 1.00 0.00 C ATOM 0 H THR A 44 45.134 33.073 26.731 1.00 0.00 H new ATOM 0 HA THR A 44 43.495 35.390 26.425 1.00 0.00 H new ATOM 0 HB THR A 44 42.959 32.458 25.823 1.00 0.00 H new ATOM 0 HG1 THR A 44 44.128 32.739 23.942 1.00 0.00 H new ATOM 0 HG21 THR A 44 41.605 33.278 23.921 1.00 0.00 H new ATOM 0 HG22 THR A 44 40.986 33.859 25.485 1.00 0.00 H new ATOM 0 HG23 THR A 44 41.918 34.953 24.434 1.00 0.00 H new ATOM 680 N LEU A 45 42.702 33.411 28.847 1.00 0.00 N ATOM 681 CA LEU A 45 41.809 33.438 30.008 1.00 0.00 C ATOM 682 C LEU A 45 42.171 34.540 30.978 1.00 0.00 C ATOM 683 O LEU A 45 41.344 34.855 31.820 1.00 0.00 O ATOM 684 CB LEU A 45 41.763 32.130 30.801 1.00 0.00 C ATOM 685 CG LEU A 45 41.019 30.955 30.173 1.00 0.00 C ATOM 686 CD1 LEU A 45 39.590 31.150 29.676 1.00 0.00 C ATOM 687 CD2 LEU A 45 41.953 30.232 29.216 1.00 0.00 C ATOM 0 H LEU A 45 43.518 32.807 28.945 1.00 0.00 H new ATOM 0 HA LEU A 45 40.827 33.611 29.568 1.00 0.00 H new ATOM 0 HB2 LEU A 45 42.789 31.816 30.992 1.00 0.00 H new ATOM 0 HB3 LEU A 45 41.308 32.339 31.769 1.00 0.00 H new ATOM 0 HG LEU A 45 40.765 30.305 31.010 1.00 0.00 H new ATOM 0 HD11 LEU A 45 39.218 30.213 29.261 1.00 0.00 H new ATOM 0 HD12 LEU A 45 38.954 31.456 30.507 1.00 0.00 H new ATOM 0 HD13 LEU A 45 39.575 31.920 28.905 1.00 0.00 H new ATOM 0 HD21 LEU A 45 41.429 29.390 28.763 1.00 0.00 H new ATOM 0 HD22 LEU A 45 42.278 30.920 28.436 1.00 0.00 H new ATOM 0 HD23 LEU A 45 42.822 29.866 29.763 1.00 0.00 H new ATOM 699 N LYS A 46 43.361 35.134 30.939 1.00 0.00 N ATOM 700 CA LYS A 46 43.703 36.104 31.977 1.00 0.00 C ATOM 701 C LYS A 46 42.898 37.423 31.826 1.00 0.00 C ATOM 702 O LYS A 46 42.739 38.179 32.785 1.00 0.00 O ATOM 703 CB LYS A 46 45.227 36.329 32.007 1.00 0.00 C ATOM 704 CG LYS A 46 45.968 35.716 33.207 1.00 0.00 C ATOM 705 CD LYS A 46 46.204 34.195 33.164 1.00 0.00 C ATOM 706 CE LYS A 46 44.966 33.305 33.371 1.00 0.00 C ATOM 707 NZ LYS A 46 44.419 33.422 34.744 1.00 0.00 N ATOM 0 H LYS A 46 44.078 34.972 30.232 1.00 0.00 H new ATOM 0 HA LYS A 46 43.412 35.696 32.945 1.00 0.00 H new ATOM 0 HB2 LYS A 46 45.654 35.919 31.092 1.00 0.00 H new ATOM 0 HB3 LYS A 46 45.418 37.402 31.995 1.00 0.00 H new ATOM 0 HG2 LYS A 46 46.936 36.209 33.299 1.00 0.00 H new ATOM 0 HG3 LYS A 46 45.405 35.949 34.111 1.00 0.00 H new ATOM 0 HD2 LYS A 46 46.647 33.945 32.200 1.00 0.00 H new ATOM 0 HD3 LYS A 46 46.939 33.941 33.928 1.00 0.00 H new ATOM 0 HE2 LYS A 46 44.197 33.581 32.650 1.00 0.00 H new ATOM 0 HE3 LYS A 46 45.230 32.266 33.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 43.597 32.793 34.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 45.149 33.150 35.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 44.127 34.405 34.919 1.00 0.00 H new ATOM 721 N MET A 47 42.326 37.636 30.632 1.00 0.00 N ATOM 722 CA MET A 47 41.313 38.647 30.282 1.00 0.00 C ATOM 723 C MET A 47 39.859 38.232 30.623 1.00 0.00 C ATOM 724 O MET A 47 38.937 39.033 30.482 1.00 0.00 O ATOM 725 CB MET A 47 41.468 38.970 28.780 1.00 0.00 C ATOM 726 CG MET A 47 41.178 37.780 27.852 1.00 0.00 C ATOM 727 SD MET A 47 41.293 38.094 26.068 1.00 0.00 S ATOM 728 CE MET A 47 43.058 38.492 25.958 1.00 0.00 C ATOM 0 H MET A 47 42.577 37.065 29.825 1.00 0.00 H new ATOM 0 HA MET A 47 41.491 39.531 30.894 1.00 0.00 H new ATOM 0 HB2 MET A 47 40.796 39.789 28.524 1.00 0.00 H new ATOM 0 HB3 MET A 47 42.484 39.321 28.597 1.00 0.00 H new ATOM 0 HG2 MET A 47 41.871 36.976 28.102 1.00 0.00 H new ATOM 0 HG3 MET A 47 40.174 37.415 28.070 1.00 0.00 H new ATOM 0 HE1 MET A 47 43.363 38.506 24.912 1.00 0.00 H new ATOM 0 HE2 MET A 47 43.239 39.471 26.402 1.00 0.00 H new ATOM 0 HE3 MET A 47 43.635 37.739 26.494 1.00 0.00 H new ATOM 738 N TYR A 48 39.648 36.979 31.041 1.00 0.00 N ATOM 739 CA TYR A 48 38.344 36.341 31.281 1.00 0.00 C ATOM 740 C TYR A 48 38.130 35.953 32.760 1.00 0.00 C ATOM 741 O TYR A 48 37.173 36.369 33.410 1.00 0.00 O ATOM 742 CB TYR A 48 38.278 35.074 30.408 1.00 0.00 C ATOM 743 CG TYR A 48 37.052 34.240 30.697 1.00 0.00 C ATOM 744 CD1 TYR A 48 35.773 34.744 30.416 1.00 0.00 C ATOM 745 CD2 TYR A 48 37.197 32.974 31.290 1.00 0.00 C ATOM 746 CE1 TYR A 48 34.632 33.978 30.710 1.00 0.00 C ATOM 747 CE2 TYR A 48 36.061 32.193 31.573 1.00 0.00 C ATOM 748 CZ TYR A 48 34.769 32.697 31.293 1.00 0.00 C ATOM 749 OH TYR A 48 33.665 31.945 31.557 1.00 0.00 O ATOM 0 H TYR A 48 40.424 36.346 31.232 1.00 0.00 H new ATOM 0 HA TYR A 48 37.559 37.054 31.027 1.00 0.00 H new ATOM 0 HB2 TYR A 48 38.280 35.360 29.356 1.00 0.00 H new ATOM 0 HB3 TYR A 48 39.171 34.473 30.577 1.00 0.00 H new ATOM 0 HD1 TYR A 48 35.665 35.723 29.973 1.00 0.00 H new ATOM 0 HD2 TYR A 48 38.182 32.600 31.529 1.00 0.00 H new ATOM 0 HE1 TYR A 48 33.649 34.368 30.490 1.00 0.00 H new ATOM 0 HE2 TYR A 48 36.175 31.209 32.004 1.00 0.00 H new ATOM 0 HH TYR A 48 33.938 31.092 31.956 1.00 0.00 H new ATOM 759 N MET A 49 39.070 35.174 33.302 1.00 0.00 N ATOM 760 CA MET A 49 39.196 34.751 34.703 1.00 0.00 C ATOM 761 C MET A 49 39.565 35.910 35.667 1.00 0.00 C ATOM 762 O MET A 49 39.781 35.690 36.862 1.00 0.00 O ATOM 763 CB MET A 49 40.207 33.582 34.737 1.00 0.00 C ATOM 764 CG MET A 49 39.704 32.298 34.057 1.00 0.00 C ATOM 765 SD MET A 49 38.130 31.610 34.632 1.00 0.00 S ATOM 766 CE MET A 49 38.597 31.326 36.354 1.00 0.00 C ATOM 0 H MET A 49 39.823 34.792 32.729 1.00 0.00 H new ATOM 0 HA MET A 49 38.228 34.416 35.076 1.00 0.00 H new ATOM 0 HB2 MET A 49 41.130 33.900 34.252 1.00 0.00 H new ATOM 0 HB3 MET A 49 40.453 33.358 35.775 1.00 0.00 H new ATOM 0 HG2 MET A 49 39.615 32.496 32.989 1.00 0.00 H new ATOM 0 HG3 MET A 49 40.470 31.532 34.176 1.00 0.00 H new ATOM 0 HE1 MET A 49 37.909 30.610 36.804 1.00 0.00 H new ATOM 0 HE2 MET A 49 39.612 30.930 36.395 1.00 0.00 H new ATOM 0 HE3 MET A 49 38.552 32.267 36.903 1.00 0.00 H new ATOM 776 N ALA A 50 39.608 37.148 35.161 1.00 0.00 N ATOM 777 CA ALA A 50 39.750 38.418 35.877 1.00 0.00 C ATOM 778 C ALA A 50 39.223 39.568 34.988 1.00 0.00 C ATOM 779 O ALA A 50 39.261 39.467 33.758 1.00 0.00 O ATOM 780 CB ALA A 50 41.224 38.609 36.267 1.00 0.00 C ATOM 0 H ALA A 50 39.538 37.298 34.154 1.00 0.00 H new ATOM 0 HA ALA A 50 39.160 38.417 36.793 1.00 0.00 H new ATOM 0 HB1 ALA A 50 41.340 39.552 36.801 1.00 0.00 H new ATOM 0 HB2 ALA A 50 41.540 37.787 36.910 1.00 0.00 H new ATOM 0 HB3 ALA A 50 41.839 38.623 35.367 1.00 0.00 H new ATOM 786 N THR A 51 38.717 40.647 35.600 1.00 0.00 N ATOM 787 CA THR A 51 37.918 41.713 34.956 1.00 0.00 C ATOM 788 C THR A 51 38.652 43.047 34.806 1.00 0.00 C ATOM 789 O THR A 51 39.654 43.300 35.479 1.00 0.00 O ATOM 790 CB THR A 51 36.628 41.930 35.756 1.00 0.00 C ATOM 791 OG1 THR A 51 36.955 42.205 37.102 1.00 0.00 O ATOM 792 CG2 THR A 51 35.718 40.704 35.709 1.00 0.00 C ATOM 0 H THR A 51 38.855 40.813 36.597 1.00 0.00 H new ATOM 0 HA THR A 51 37.708 41.368 33.944 1.00 0.00 H new ATOM 0 HB THR A 51 36.094 42.768 35.308 1.00 0.00 H new ATOM 0 HG1 THR A 51 36.133 42.346 37.616 1.00 0.00 H new ATOM 0 HG21 THR A 51 34.815 40.899 36.288 1.00 0.00 H new ATOM 0 HG22 THR A 51 35.447 40.491 34.675 1.00 0.00 H new ATOM 0 HG23 THR A 51 36.241 39.846 36.131 1.00 0.00 H new ATOM 800 N TYR A 52 38.128 43.919 33.937 1.00 0.00 N ATOM 801 CA TYR A 52 38.581 45.308 33.732 1.00 0.00 C ATOM 802 C TYR A 52 38.079 46.254 34.843 1.00 0.00 C ATOM 803 O TYR A 52 36.966 46.078 35.356 1.00 0.00 O ATOM 804 CB TYR A 52 38.113 45.786 32.348 1.00 0.00 C ATOM 805 CG TYR A 52 38.831 47.021 31.835 1.00 0.00 C ATOM 806 CD1 TYR A 52 38.363 48.311 32.156 1.00 0.00 C ATOM 807 CD2 TYR A 52 39.991 46.880 31.048 1.00 0.00 C ATOM 808 CE1 TYR A 52 39.043 49.451 31.686 1.00 0.00 C ATOM 809 CE2 TYR A 52 40.667 48.018 30.567 1.00 0.00 C ATOM 810 CZ TYR A 52 40.191 49.312 30.874 1.00 0.00 C ATOM 811 OH TYR A 52 40.848 50.406 30.398 1.00 0.00 O ATOM 0 H TYR A 52 37.346 43.671 33.331 1.00 0.00 H new ATOM 0 HA TYR A 52 39.670 45.328 33.780 1.00 0.00 H new ATOM 0 HB2 TYR A 52 38.251 44.976 31.632 1.00 0.00 H new ATOM 0 HB3 TYR A 52 37.044 45.994 32.391 1.00 0.00 H new ATOM 0 HD1 TYR A 52 37.479 48.426 32.765 1.00 0.00 H new ATOM 0 HD2 TYR A 52 40.364 45.894 30.812 1.00 0.00 H new ATOM 0 HE1 TYR A 52 38.685 50.436 31.947 1.00 0.00 H new ATOM 0 HE2 TYR A 52 41.553 47.901 29.961 1.00 0.00 H new ATOM 0 HH TYR A 52 41.614 50.119 29.859 1.00 0.00 H new ATOM 821 N HIS A 53 38.883 47.257 35.222 1.00 0.00 N ATOM 822 CA HIS A 53 38.665 48.095 36.416 1.00 0.00 C ATOM 823 C HIS A 53 38.012 49.441 36.127 1.00 0.00 C ATOM 824 O HIS A 53 38.599 50.278 35.405 1.00 0.00 O ATOM 825 CB HIS A 53 39.995 48.245 37.179 1.00 0.00 C ATOM 826 CG HIS A 53 40.585 46.928 37.596 1.00 0.00 C ATOM 827 ND1 HIS A 53 40.173 46.170 38.698 1.00 0.00 N ATOM 828 CD2 HIS A 53 41.558 46.241 36.930 1.00 0.00 C ATOM 829 CE1 HIS A 53 40.885 45.032 38.648 1.00 0.00 C ATOM 830 NE2 HIS A 53 41.736 45.059 37.604 1.00 0.00 N ATOM 831 OXT HIS A 53 36.931 49.684 36.712 1.00 0.00 O ATOM 0 H HIS A 53 39.720 47.516 34.699 1.00 0.00 H new ATOM 0 HA HIS A 53 37.938 47.580 37.045 1.00 0.00 H new ATOM 0 HB2 HIS A 53 40.711 48.774 36.550 1.00 0.00 H new ATOM 0 HB3 HIS A 53 39.832 48.860 38.064 1.00 0.00 H new ATOM 0 HD2 HIS A 53 42.085 46.565 36.045 1.00 0.00 H new ATOM 0 HE1 HIS A 53 40.789 44.213 39.345 1.00 0.00 H new ATOM 0 HE2 HIS A 53 42.400 44.325 37.357 1.00 0.00 H new TER 839 HIS A 53