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 -165:sc= 0.23 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 170:sc= 0 (180deg=-0.117) USER MOD Single : A 4 ASN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 5 THR OG1 : rot -116:sc= 1.16 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.00073) USER MOD Single : A 16 SER OG : rot 180:sc= 0.043 USER MOD Single : A 17 ASN : amide:sc= 0.0272 K(o=0.027,f=-2.5!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 26 ASN : amide:sc= 0.598 K(o=0.6,f=-10!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 32:sc= 0.0219 USER MOD Single : A 40 THR OG1 : rot -30:sc= 0.589 USER MOD Single : A 42 MET CE :methyl 174:sc= -0.0887 (180deg=-0.135) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 46 LYS NZ :NH3+ 175:sc= 0.483 (180deg=0.467) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 171:sc= -0.423 (180deg=-0.54) USER MOD Single : A 51 THR OG1 : rot -35:sc= 0.48 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0.0748 K(o=0.075,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 26.576 39.051 29.144 1.00 0.00 N ATOM 2 CA SER A 1 26.047 37.793 28.582 1.00 0.00 C ATOM 3 C SER A 1 27.201 36.834 28.295 1.00 0.00 C ATOM 4 O SER A 1 27.904 36.508 29.252 1.00 0.00 O ATOM 5 CB SER A 1 25.074 38.039 27.425 1.00 0.00 C ATOM 6 OG SER A 1 25.671 38.768 26.374 1.00 0.00 O ATOM 0 H1 SER A 1 25.789 39.702 29.339 1.00 0.00 H new ATOM 0 H2 SER A 1 27.085 38.849 30.028 1.00 0.00 H new ATOM 0 H3 SER A 1 27.227 39.489 28.462 1.00 0.00 H new ATOM 0 HA SER A 1 25.421 37.289 29.318 1.00 0.00 H new ATOM 0 HB2 SER A 1 24.715 37.083 27.044 1.00 0.00 H new ATOM 0 HB3 SER A 1 24.204 38.582 27.793 1.00 0.00 H new ATOM 0 HG SER A 1 25.017 38.902 25.656 1.00 0.00 H new ATOM 12 N MET A 2 27.451 36.376 27.057 1.00 0.00 N ATOM 13 CA MET A 2 28.645 35.568 26.736 1.00 0.00 C ATOM 14 C MET A 2 29.957 36.335 26.969 1.00 0.00 C ATOM 15 O MET A 2 29.993 37.554 26.789 1.00 0.00 O ATOM 16 CB MET A 2 28.601 35.061 25.283 1.00 0.00 C ATOM 17 CG MET A 2 27.704 33.827 25.130 1.00 0.00 C ATOM 18 SD MET A 2 27.592 33.179 23.440 1.00 0.00 S ATOM 19 CE MET A 2 29.252 32.466 23.295 1.00 0.00 C ATOM 0 H MET A 2 26.841 36.551 26.258 1.00 0.00 H new ATOM 0 HA MET A 2 28.626 34.718 27.418 1.00 0.00 H new ATOM 0 HB2 MET A 2 28.237 35.856 24.633 1.00 0.00 H new ATOM 0 HB3 MET A 2 29.611 34.818 24.954 1.00 0.00 H new ATOM 0 HG2 MET A 2 28.079 33.039 25.783 1.00 0.00 H new ATOM 0 HG3 MET A 2 26.701 34.078 25.476 1.00 0.00 H new ATOM 0 HE1 MET A 2 29.312 31.865 22.387 1.00 0.00 H new ATOM 0 HE2 MET A 2 29.989 33.267 23.249 1.00 0.00 H new ATOM 0 HE3 MET A 2 29.454 31.836 24.161 1.00 0.00 H new ATOM 29 N VAL A 3 31.025 35.609 27.313 1.00 0.00 N ATOM 30 CA VAL A 3 32.387 36.124 27.575 1.00 0.00 C ATOM 31 C VAL A 3 33.405 35.393 26.684 1.00 0.00 C ATOM 32 O VAL A 3 33.167 34.247 26.299 1.00 0.00 O ATOM 33 CB VAL A 3 32.791 35.972 29.068 1.00 0.00 C ATOM 34 CG1 VAL A 3 33.893 36.973 29.458 1.00 0.00 C ATOM 35 CG2 VAL A 3 31.617 36.187 30.046 1.00 0.00 C ATOM 0 H VAL A 3 30.968 34.597 27.424 1.00 0.00 H new ATOM 0 HA VAL A 3 32.385 37.188 27.339 1.00 0.00 H new ATOM 0 HB VAL A 3 33.144 34.944 29.153 1.00 0.00 H new ATOM 0 HG11 VAL A 3 34.151 36.839 30.508 1.00 0.00 H new ATOM 0 HG12 VAL A 3 34.776 36.800 28.842 1.00 0.00 H new ATOM 0 HG13 VAL A 3 33.534 37.990 29.300 1.00 0.00 H new ATOM 0 HG21 VAL A 3 31.970 36.066 31.070 1.00 0.00 H new ATOM 0 HG22 VAL A 3 31.215 37.192 29.917 1.00 0.00 H new ATOM 0 HG23 VAL A 3 30.835 35.455 29.843 1.00 0.00 H new ATOM 45 N ASN A 4 34.548 36.015 26.368 1.00 0.00 N ATOM 46 CA ASN A 4 35.693 35.296 25.795 1.00 0.00 C ATOM 47 C ASN A 4 36.349 34.376 26.841 1.00 0.00 C ATOM 48 O ASN A 4 36.372 34.697 28.027 1.00 0.00 O ATOM 49 CB ASN A 4 36.743 36.264 25.218 1.00 0.00 C ATOM 50 CG ASN A 4 36.326 37.034 23.967 1.00 0.00 C ATOM 51 OD1 ASN A 4 36.772 38.155 23.748 1.00 0.00 O ATOM 52 ND2 ASN A 4 35.501 36.488 23.093 1.00 0.00 N ATOM 0 H ASN A 4 34.704 37.014 26.499 1.00 0.00 H new ATOM 0 HA ASN A 4 35.308 34.685 24.979 1.00 0.00 H new ATOM 0 HB2 ASN A 4 37.009 36.984 25.992 1.00 0.00 H new ATOM 0 HB3 ASN A 4 37.644 35.696 24.988 1.00 0.00 H new ATOM 0 HD21 ASN A 4 35.242 36.998 22.248 1.00 0.00 H new ATOM 0 HD22 ASN A 4 35.122 35.556 23.262 1.00 0.00 H new ATOM 59 N THR A 5 36.915 33.249 26.398 1.00 0.00 N ATOM 60 CA THR A 5 37.712 32.304 27.203 1.00 0.00 C ATOM 61 C THR A 5 38.857 31.807 26.346 1.00 0.00 C ATOM 62 O THR A 5 38.735 31.626 25.138 1.00 0.00 O ATOM 63 CB THR A 5 36.894 31.094 27.661 1.00 0.00 C ATOM 64 OG1 THR A 5 36.357 30.389 26.578 1.00 0.00 O ATOM 65 CG2 THR A 5 35.801 31.498 28.628 1.00 0.00 C ATOM 0 H THR A 5 36.829 32.953 25.426 1.00 0.00 H new ATOM 0 HA THR A 5 38.061 32.828 28.093 1.00 0.00 H new ATOM 0 HB THR A 5 37.581 30.428 28.184 1.00 0.00 H new ATOM 0 HG1 THR A 5 35.379 30.436 26.610 1.00 0.00 H new ATOM 0 HG21 THR A 5 35.240 30.615 28.933 1.00 0.00 H new ATOM 0 HG22 THR A 5 36.247 31.966 29.506 1.00 0.00 H new ATOM 0 HG23 THR A 5 35.129 32.205 28.142 1.00 0.00 H new ATOM 73 N GLY A 6 39.950 31.478 27.016 1.00 0.00 N ATOM 74 CA GLY A 6 40.940 30.529 26.538 1.00 0.00 C ATOM 75 C GLY A 6 40.644 29.077 26.897 1.00 0.00 C ATOM 76 O GLY A 6 41.599 28.345 27.132 1.00 0.00 O ATOM 0 H GLY A 6 40.178 31.873 27.928 1.00 0.00 H new ATOM 0 HA2 GLY A 6 41.014 30.615 25.454 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.913 30.801 26.947 1.00 0.00 H new ATOM 80 N LEU A 7 39.378 28.663 27.056 1.00 0.00 N ATOM 81 CA LEU A 7 39.046 27.300 27.496 1.00 0.00 C ATOM 82 C LEU A 7 39.234 26.290 26.340 1.00 0.00 C ATOM 83 O LEU A 7 39.279 26.720 25.183 1.00 0.00 O ATOM 84 CB LEU A 7 37.655 27.258 28.164 1.00 0.00 C ATOM 85 CG LEU A 7 37.715 27.579 29.679 1.00 0.00 C ATOM 86 CD1 LEU A 7 36.292 27.784 30.219 1.00 0.00 C ATOM 87 CD2 LEU A 7 38.393 26.481 30.528 1.00 0.00 C ATOM 0 H LEU A 7 38.565 29.255 26.886 1.00 0.00 H new ATOM 0 HA LEU A 7 39.745 26.988 28.272 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.997 27.973 27.670 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.217 26.270 28.022 1.00 0.00 H new ATOM 0 HG LEU A 7 38.320 28.481 29.767 1.00 0.00 H new ATOM 0 HD11 LEU A 7 36.336 28.010 31.284 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.819 28.612 29.692 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.710 26.876 30.064 1.00 0.00 H new ATOM 0 HD21 LEU A 7 38.395 26.781 31.576 1.00 0.00 H new ATOM 0 HD22 LEU A 7 37.844 25.546 30.419 1.00 0.00 H new ATOM 0 HD23 LEU A 7 39.419 26.340 30.189 1.00 0.00 H new ATOM 99 N PRO A 8 39.387 24.975 26.613 1.00 0.00 N ATOM 100 CA PRO A 8 39.577 23.968 25.567 1.00 0.00 C ATOM 101 C PRO A 8 38.302 23.778 24.726 1.00 0.00 C ATOM 102 O PRO A 8 37.263 24.366 25.024 1.00 0.00 O ATOM 103 CB PRO A 8 39.999 22.705 26.326 1.00 0.00 C ATOM 104 CG PRO A 8 39.191 22.833 27.607 1.00 0.00 C ATOM 105 CD PRO A 8 39.391 24.314 27.918 1.00 0.00 C ATOM 0 HA PRO A 8 40.331 24.255 24.834 1.00 0.00 H new ATOM 0 HB2 PRO A 8 39.754 21.796 25.777 1.00 0.00 H new ATOM 0 HB3 PRO A 8 41.072 22.682 26.519 1.00 0.00 H new ATOM 0 HG2 PRO A 8 38.141 22.578 27.462 1.00 0.00 H new ATOM 0 HG3 PRO A 8 39.568 22.188 28.401 1.00 0.00 H new ATOM 0 HD2 PRO A 8 38.594 24.695 28.557 1.00 0.00 H new ATOM 0 HD3 PRO A 8 40.330 24.484 28.444 1.00 0.00 H new ATOM 113 N ALA A 9 38.386 22.956 23.671 1.00 0.00 N ATOM 114 CA ALA A 9 37.397 22.824 22.586 1.00 0.00 C ATOM 115 C ALA A 9 36.062 22.127 22.955 1.00 0.00 C ATOM 116 O ALA A 9 35.466 21.418 22.128 1.00 0.00 O ATOM 117 CB ALA A 9 38.101 22.133 21.410 1.00 0.00 C ATOM 0 H ALA A 9 39.184 22.333 23.542 1.00 0.00 H new ATOM 0 HA ALA A 9 37.064 23.829 22.328 1.00 0.00 H new ATOM 0 HB1 ALA A 9 37.400 22.016 20.584 1.00 0.00 H new ATOM 0 HB2 ALA A 9 38.947 22.739 21.085 1.00 0.00 H new ATOM 0 HB3 ALA A 9 38.457 21.152 21.725 1.00 0.00 H new ATOM 123 N GLY A 10 35.597 22.306 24.191 1.00 0.00 N ATOM 124 CA GLY A 10 34.281 21.903 24.679 1.00 0.00 C ATOM 125 C GLY A 10 33.947 22.555 26.025 1.00 0.00 C ATOM 126 O GLY A 10 34.378 22.046 27.061 1.00 0.00 O ATOM 0 H GLY A 10 36.157 22.759 24.914 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.522 22.176 23.945 1.00 0.00 H new ATOM 0 HA3 GLY A 10 34.249 20.818 24.783 1.00 0.00 H new ATOM 130 N TRP A 11 33.156 23.641 26.024 1.00 0.00 N ATOM 131 CA TRP A 11 32.834 24.422 27.228 1.00 0.00 C ATOM 132 C TRP A 11 31.509 25.224 27.160 1.00 0.00 C ATOM 133 O TRP A 11 31.129 25.763 26.118 1.00 0.00 O ATOM 134 CB TRP A 11 34.012 25.372 27.519 1.00 0.00 C ATOM 135 CG TRP A 11 34.103 26.573 26.621 1.00 0.00 C ATOM 136 CD1 TRP A 11 34.561 26.573 25.348 1.00 0.00 C ATOM 137 CD2 TRP A 11 33.662 27.944 26.879 1.00 0.00 C ATOM 138 NE1 TRP A 11 34.392 27.824 24.790 1.00 0.00 N ATOM 139 CE2 TRP A 11 33.830 28.707 25.683 1.00 0.00 C ATOM 140 CE3 TRP A 11 33.099 28.615 27.989 1.00 0.00 C ATOM 141 CZ2 TRP A 11 33.443 30.052 25.585 1.00 0.00 C ATOM 142 CZ3 TRP A 11 32.723 29.970 27.907 1.00 0.00 C ATOM 143 CH2 TRP A 11 32.890 30.687 26.709 1.00 0.00 C ATOM 0 H TRP A 11 32.718 24.004 25.178 1.00 0.00 H new ATOM 0 HA TRP A 11 32.680 23.702 28.032 1.00 0.00 H new ATOM 0 HB2 TRP A 11 33.935 25.715 28.551 1.00 0.00 H new ATOM 0 HB3 TRP A 11 34.941 24.808 27.439 1.00 0.00 H new ATOM 0 HD1 TRP A 11 34.994 25.722 24.844 1.00 0.00 H new ATOM 0 HE1 TRP A 11 34.652 28.064 23.833 1.00 0.00 H new ATOM 0 HE3 TRP A 11 32.955 28.079 28.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 33.569 30.592 24.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 32.303 30.462 28.772 1.00 0.00 H new ATOM 0 HH2 TRP A 11 32.594 31.724 26.653 1.00 0.00 H new ATOM 154 N GLU A 12 30.844 25.374 28.309 1.00 0.00 N ATOM 155 CA GLU A 12 29.706 26.260 28.609 1.00 0.00 C ATOM 156 C GLU A 12 29.660 26.423 30.139 1.00 0.00 C ATOM 157 O GLU A 12 30.101 25.515 30.836 1.00 0.00 O ATOM 158 CB GLU A 12 28.380 25.674 28.069 1.00 0.00 C ATOM 159 CG GLU A 12 27.512 26.686 27.301 1.00 0.00 C ATOM 160 CD GLU A 12 26.849 27.739 28.191 1.00 0.00 C ATOM 161 OE1 GLU A 12 27.572 28.604 28.746 1.00 0.00 O ATOM 162 OE2 GLU A 12 25.603 27.730 28.330 1.00 0.00 O ATOM 0 H GLU A 12 31.110 24.831 29.130 1.00 0.00 H new ATOM 0 HA GLU A 12 29.833 27.227 28.121 1.00 0.00 H new ATOM 0 HB2 GLU A 12 28.607 24.834 27.412 1.00 0.00 H new ATOM 0 HB3 GLU A 12 27.803 25.278 28.905 1.00 0.00 H new ATOM 0 HG2 GLU A 12 28.131 27.190 26.559 1.00 0.00 H new ATOM 0 HG3 GLU A 12 26.738 26.146 26.757 1.00 0.00 H new ATOM 169 N VAL A 13 29.182 27.541 30.688 1.00 0.00 N ATOM 170 CA VAL A 13 29.298 27.833 32.137 1.00 0.00 C ATOM 171 C VAL A 13 27.974 27.585 32.848 1.00 0.00 C ATOM 172 O VAL A 13 26.986 28.260 32.553 1.00 0.00 O ATOM 173 CB VAL A 13 29.744 29.281 32.441 1.00 0.00 C ATOM 174 CG1 VAL A 13 30.066 29.465 33.932 1.00 0.00 C ATOM 175 CG2 VAL A 13 30.964 29.702 31.600 1.00 0.00 C ATOM 0 H VAL A 13 28.706 28.270 30.156 1.00 0.00 H new ATOM 0 HA VAL A 13 30.070 27.157 32.505 1.00 0.00 H new ATOM 0 HB VAL A 13 28.904 29.922 32.173 1.00 0.00 H new ATOM 0 HG11 VAL A 13 30.377 30.494 34.113 1.00 0.00 H new ATOM 0 HG12 VAL A 13 29.179 29.244 34.526 1.00 0.00 H new ATOM 0 HG13 VAL A 13 30.871 28.788 34.217 1.00 0.00 H new ATOM 0 HG21 VAL A 13 31.241 30.727 31.848 1.00 0.00 H new ATOM 0 HG22 VAL A 13 31.801 29.038 31.815 1.00 0.00 H new ATOM 0 HG23 VAL A 13 30.715 29.640 30.541 1.00 0.00 H new ATOM 185 N ARG A 14 27.982 26.671 33.825 1.00 0.00 N ATOM 186 CA ARG A 14 26.817 26.363 34.654 1.00 0.00 C ATOM 187 C ARG A 14 27.022 26.812 36.106 1.00 0.00 C ATOM 188 O ARG A 14 27.866 26.281 36.835 1.00 0.00 O ATOM 189 CB ARG A 14 26.523 24.854 34.600 1.00 0.00 C ATOM 190 CG ARG A 14 26.154 24.291 33.213 1.00 0.00 C ATOM 191 CD ARG A 14 24.662 24.375 32.871 1.00 0.00 C ATOM 192 NE ARG A 14 24.180 25.757 32.754 1.00 0.00 N ATOM 193 CZ ARG A 14 24.302 26.577 31.719 1.00 0.00 C ATOM 194 NH1 ARG A 14 24.838 26.219 30.571 1.00 0.00 N ATOM 195 NH2 ARG A 14 23.858 27.802 31.863 1.00 0.00 N ATOM 0 H ARG A 14 28.807 26.120 34.063 1.00 0.00 H new ATOM 0 HA ARG A 14 25.965 26.914 34.256 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.399 24.319 34.967 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.706 24.637 35.288 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.719 24.831 32.453 1.00 0.00 H new ATOM 0 HG3 ARG A 14 26.468 23.248 33.163 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.479 23.851 31.933 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.088 23.859 33.641 1.00 0.00 H new ATOM 0 HE ARG A 14 23.692 26.132 33.568 1.00 0.00 H new ATOM 0 HH11 ARG A 14 25.185 25.268 30.445 1.00 0.00 H new ATOM 0 HH12 ARG A 14 24.906 26.892 29.808 1.00 0.00 H new ATOM 0 HH21 ARG A 14 23.438 28.092 32.746 1.00 0.00 H new ATOM 0 HH22 ARG A 14 23.932 28.465 31.092 1.00 0.00 H new ATOM 209 N HIS A 15 26.199 27.767 36.533 1.00 0.00 N ATOM 210 CA HIS A 15 26.112 28.309 37.897 1.00 0.00 C ATOM 211 C HIS A 15 24.719 28.917 38.161 1.00 0.00 C ATOM 212 O HIS A 15 23.993 29.251 37.218 1.00 0.00 O ATOM 213 CB HIS A 15 27.247 29.317 38.166 1.00 0.00 C ATOM 214 CG HIS A 15 27.037 30.710 37.623 1.00 0.00 C ATOM 215 ND1 HIS A 15 26.819 31.848 38.404 1.00 0.00 N ATOM 216 CD2 HIS A 15 27.090 31.078 36.310 1.00 0.00 C ATOM 217 CE1 HIS A 15 26.741 32.873 37.538 1.00 0.00 C ATOM 218 NE2 HIS A 15 26.900 32.443 36.272 1.00 0.00 N ATOM 0 H HIS A 15 25.533 28.213 35.902 1.00 0.00 H new ATOM 0 HA HIS A 15 26.242 27.487 38.601 1.00 0.00 H new ATOM 0 HB2 HIS A 15 27.396 29.387 39.243 1.00 0.00 H new ATOM 0 HB3 HIS A 15 28.169 28.918 37.742 1.00 0.00 H new ATOM 0 HD2 HIS A 15 27.250 30.426 35.464 1.00 0.00 H new ATOM 0 HE1 HIS A 15 26.573 33.902 37.820 1.00 0.00 H new ATOM 0 HE2 HIS A 15 26.883 33.024 35.434 1.00 0.00 H new ATOM 226 N SER A 16 24.331 29.055 39.427 1.00 0.00 N ATOM 227 CA SER A 16 22.980 29.485 39.801 1.00 0.00 C ATOM 228 C SER A 16 22.976 30.500 40.948 1.00 0.00 C ATOM 229 O SER A 16 23.983 30.715 41.622 1.00 0.00 O ATOM 230 CB SER A 16 22.123 28.267 40.183 1.00 0.00 C ATOM 231 OG SER A 16 22.441 27.776 41.474 1.00 0.00 O ATOM 0 H SER A 16 24.941 28.873 40.224 1.00 0.00 H new ATOM 0 HA SER A 16 22.555 29.982 38.929 1.00 0.00 H new ATOM 0 HB2 SER A 16 21.069 28.541 40.149 1.00 0.00 H new ATOM 0 HB3 SER A 16 22.270 27.476 39.448 1.00 0.00 H new ATOM 0 HG SER A 16 21.874 27.004 41.679 1.00 0.00 H new ATOM 237 N ASN A 17 21.814 31.092 41.218 1.00 0.00 N ATOM 238 CA ASN A 17 21.554 31.878 42.424 1.00 0.00 C ATOM 239 C ASN A 17 21.752 31.078 43.736 1.00 0.00 C ATOM 240 O ASN A 17 22.049 31.666 44.779 1.00 0.00 O ATOM 241 CB ASN A 17 20.131 32.451 42.320 1.00 0.00 C ATOM 242 CG ASN A 17 19.038 31.380 42.325 1.00 0.00 C ATOM 243 OD1 ASN A 17 19.042 30.444 41.529 1.00 0.00 O ATOM 244 ND2 ASN A 17 18.081 31.477 43.226 1.00 0.00 N ATOM 0 H ASN A 17 21.010 31.038 40.592 1.00 0.00 H new ATOM 0 HA ASN A 17 22.287 32.683 42.478 1.00 0.00 H new ATOM 0 HB2 ASN A 17 19.962 33.135 43.152 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.050 33.037 41.404 1.00 0.00 H new ATOM 0 HD21 ASN A 17 17.342 30.774 43.263 1.00 0.00 H new ATOM 0 HD22 ASN A 17 18.079 32.255 43.886 1.00 0.00 H new ATOM 251 N SER A 18 21.627 29.748 43.692 1.00 0.00 N ATOM 252 CA SER A 18 21.847 28.837 44.827 1.00 0.00 C ATOM 253 C SER A 18 23.295 28.308 44.927 1.00 0.00 C ATOM 254 O SER A 18 23.631 27.664 45.925 1.00 0.00 O ATOM 255 CB SER A 18 20.850 27.667 44.746 1.00 0.00 C ATOM 256 OG SER A 18 19.515 28.137 44.879 1.00 0.00 O ATOM 0 H SER A 18 21.361 29.257 42.839 1.00 0.00 H new ATOM 0 HA SER A 18 21.679 29.416 45.735 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.966 27.149 43.794 1.00 0.00 H new ATOM 0 HB3 SER A 18 21.066 26.943 45.531 1.00 0.00 H new ATOM 0 HG SER A 18 18.895 27.380 44.823 1.00 0.00 H new ATOM 262 N LYS A 19 24.161 28.596 43.945 1.00 0.00 N ATOM 263 CA LYS A 19 25.602 28.294 43.960 1.00 0.00 C ATOM 264 C LYS A 19 26.350 29.115 42.893 1.00 0.00 C ATOM 265 O LYS A 19 26.229 28.863 41.689 1.00 0.00 O ATOM 266 CB LYS A 19 25.842 26.785 43.755 1.00 0.00 C ATOM 267 CG LYS A 19 27.279 26.367 44.107 1.00 0.00 C ATOM 268 CD LYS A 19 27.614 24.946 43.640 1.00 0.00 C ATOM 269 CE LYS A 19 26.681 23.895 44.256 1.00 0.00 C ATOM 270 NZ LYS A 19 26.880 22.565 43.643 1.00 0.00 N ATOM 0 H LYS A 19 23.868 29.063 43.087 1.00 0.00 H new ATOM 0 HA LYS A 19 25.996 28.575 44.937 1.00 0.00 H new ATOM 0 HB2 LYS A 19 25.141 26.221 44.371 1.00 0.00 H new ATOM 0 HB3 LYS A 19 25.635 26.525 42.717 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.979 27.069 43.653 1.00 0.00 H new ATOM 0 HG3 LYS A 19 27.418 26.432 45.186 1.00 0.00 H new ATOM 0 HD2 LYS A 19 27.545 24.897 42.553 1.00 0.00 H new ATOM 0 HD3 LYS A 19 28.645 24.713 43.905 1.00 0.00 H new ATOM 0 HE2 LYS A 19 26.861 23.832 45.329 1.00 0.00 H new ATOM 0 HE3 LYS A 19 25.645 24.206 44.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 26.233 21.880 44.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 26.684 22.620 42.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 27.863 22.258 43.791 1.00 0.00 H new ATOM 284 N ASN A 20 27.182 30.060 43.333 1.00 0.00 N ATOM 285 CA ASN A 20 28.043 30.860 42.455 1.00 0.00 C ATOM 286 C ASN A 20 29.095 30.017 41.721 1.00 0.00 C ATOM 287 O ASN A 20 29.471 30.358 40.599 1.00 0.00 O ATOM 288 CB ASN A 20 28.776 31.928 43.283 1.00 0.00 C ATOM 289 CG ASN A 20 27.847 33.023 43.768 1.00 0.00 C ATOM 290 OD1 ASN A 20 27.183 32.894 44.788 1.00 0.00 O ATOM 291 ND2 ASN A 20 27.718 34.108 43.035 1.00 0.00 N ATOM 0 H ASN A 20 27.279 30.296 44.321 1.00 0.00 H new ATOM 0 HA ASN A 20 27.391 31.313 41.708 1.00 0.00 H new ATOM 0 HB2 ASN A 20 29.253 31.454 44.141 1.00 0.00 H new ATOM 0 HB3 ASN A 20 29.570 32.369 42.680 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.066 34.840 43.317 1.00 0.00 H new ATOM 0 HD22 ASN A 20 28.270 34.218 42.185 1.00 0.00 H new ATOM 298 N LEU A 21 29.600 28.948 42.349 1.00 0.00 N ATOM 299 CA LEU A 21 30.781 28.225 41.876 1.00 0.00 C ATOM 300 C LEU A 21 30.489 27.480 40.551 1.00 0.00 C ATOM 301 O LEU A 21 29.674 26.545 40.551 1.00 0.00 O ATOM 302 CB LEU A 21 31.282 27.306 43.009 1.00 0.00 C ATOM 303 CG LEU A 21 32.789 26.997 43.015 1.00 0.00 C ATOM 304 CD1 LEU A 21 33.233 26.127 41.840 1.00 0.00 C ATOM 305 CD2 LEU A 21 33.642 28.269 43.139 1.00 0.00 C ATOM 0 H LEU A 21 29.197 28.561 43.203 1.00 0.00 H new ATOM 0 HA LEU A 21 31.583 28.922 41.635 1.00 0.00 H new ATOM 0 HB2 LEU A 21 31.022 27.765 43.963 1.00 0.00 H new ATOM 0 HB3 LEU A 21 30.739 26.363 42.951 1.00 0.00 H new ATOM 0 HG LEU A 21 32.962 26.402 43.912 1.00 0.00 H new ATOM 0 HD11 LEU A 21 34.306 25.947 41.905 1.00 0.00 H new ATOM 0 HD12 LEU A 21 32.703 25.175 41.872 1.00 0.00 H new ATOM 0 HD13 LEU A 21 33.007 26.637 40.904 1.00 0.00 H new ATOM 0 HD21 LEU A 21 34.698 28.000 43.139 1.00 0.00 H new ATOM 0 HD22 LEU A 21 33.435 28.929 42.297 1.00 0.00 H new ATOM 0 HD23 LEU A 21 33.398 28.781 44.070 1.00 0.00 H new ATOM 317 N PRO A 22 31.127 27.862 39.427 1.00 0.00 N ATOM 318 CA PRO A 22 30.807 27.332 38.109 1.00 0.00 C ATOM 319 C PRO A 22 31.393 25.934 37.912 1.00 0.00 C ATOM 320 O PRO A 22 32.533 25.670 38.293 1.00 0.00 O ATOM 321 CB PRO A 22 31.396 28.333 37.108 1.00 0.00 C ATOM 322 CG PRO A 22 32.618 28.877 37.855 1.00 0.00 C ATOM 323 CD PRO A 22 32.170 28.875 39.319 1.00 0.00 C ATOM 0 HA PRO A 22 29.731 27.221 37.975 1.00 0.00 H new ATOM 0 HB2 PRO A 22 31.676 27.852 36.171 1.00 0.00 H new ATOM 0 HB3 PRO A 22 30.687 29.124 36.861 1.00 0.00 H new ATOM 0 HG2 PRO A 22 33.495 28.248 37.702 1.00 0.00 H new ATOM 0 HG3 PRO A 22 32.882 29.879 37.517 1.00 0.00 H new ATOM 0 HD2 PRO A 22 33.005 28.645 39.981 1.00 0.00 H new ATOM 0 HD3 PRO A 22 31.792 29.855 39.611 1.00 0.00 H new ATOM 331 N TYR A 23 30.623 25.042 37.279 1.00 0.00 N ATOM 332 CA TYR A 23 31.195 23.912 36.531 1.00 0.00 C ATOM 333 C TYR A 23 31.086 24.185 35.025 1.00 0.00 C ATOM 334 O TYR A 23 30.042 24.630 34.544 1.00 0.00 O ATOM 335 CB TYR A 23 30.552 22.567 36.920 1.00 0.00 C ATOM 336 CG TYR A 23 29.062 22.384 36.656 1.00 0.00 C ATOM 337 CD1 TYR A 23 28.609 21.834 35.439 1.00 0.00 C ATOM 338 CD2 TYR A 23 28.126 22.683 37.664 1.00 0.00 C ATOM 339 CE1 TYR A 23 27.242 21.572 35.236 1.00 0.00 C ATOM 340 CE2 TYR A 23 26.749 22.472 37.448 1.00 0.00 C ATOM 341 CZ TYR A 23 26.300 21.910 36.233 1.00 0.00 C ATOM 342 OH TYR A 23 24.972 21.713 36.005 1.00 0.00 O ATOM 0 H TYR A 23 29.604 25.079 37.268 1.00 0.00 H new ATOM 0 HA TYR A 23 32.249 23.824 36.796 1.00 0.00 H new ATOM 0 HB2 TYR A 23 31.085 21.777 36.391 1.00 0.00 H new ATOM 0 HB3 TYR A 23 30.724 22.410 37.985 1.00 0.00 H new ATOM 0 HD1 TYR A 23 29.318 21.612 34.655 1.00 0.00 H new ATOM 0 HD2 TYR A 23 28.466 23.077 38.610 1.00 0.00 H new ATOM 0 HE1 TYR A 23 26.912 21.112 34.316 1.00 0.00 H new ATOM 0 HE2 TYR A 23 26.036 22.741 38.213 1.00 0.00 H new ATOM 0 HH TYR A 23 24.460 21.996 36.791 1.00 0.00 H new ATOM 352 N TYR A 24 32.154 23.926 34.265 1.00 0.00 N ATOM 353 CA TYR A 24 32.151 24.157 32.821 1.00 0.00 C ATOM 354 C TYR A 24 31.675 22.895 32.082 1.00 0.00 C ATOM 355 O TYR A 24 32.421 21.927 31.924 1.00 0.00 O ATOM 356 CB TYR A 24 33.526 24.654 32.348 1.00 0.00 C ATOM 357 CG TYR A 24 34.080 25.859 33.093 1.00 0.00 C ATOM 358 CD1 TYR A 24 33.298 27.020 33.250 1.00 0.00 C ATOM 359 CD2 TYR A 24 35.383 25.821 33.629 1.00 0.00 C ATOM 360 CE1 TYR A 24 33.806 28.137 33.942 1.00 0.00 C ATOM 361 CE2 TYR A 24 35.902 26.939 34.312 1.00 0.00 C ATOM 362 CZ TYR A 24 35.115 28.100 34.472 1.00 0.00 C ATOM 363 OH TYR A 24 35.624 29.179 35.125 1.00 0.00 O ATOM 0 H TYR A 24 33.032 23.556 34.628 1.00 0.00 H new ATOM 0 HA TYR A 24 31.441 24.949 32.580 1.00 0.00 H new ATOM 0 HB2 TYR A 24 34.239 23.835 32.437 1.00 0.00 H new ATOM 0 HB3 TYR A 24 33.458 24.904 31.289 1.00 0.00 H new ATOM 0 HD1 TYR A 24 32.301 27.054 32.837 1.00 0.00 H new ATOM 0 HD2 TYR A 24 35.986 24.932 33.516 1.00 0.00 H new ATOM 0 HE1 TYR A 24 33.196 29.020 34.067 1.00 0.00 H new ATOM 0 HE2 TYR A 24 36.904 26.908 34.714 1.00 0.00 H new ATOM 0 HH TYR A 24 36.536 28.980 35.425 1.00 0.00 H new ATOM 373 N PHE A 25 30.409 22.875 31.665 1.00 0.00 N ATOM 374 CA PHE A 25 29.776 21.764 30.955 1.00 0.00 C ATOM 375 C PHE A 25 30.446 21.528 29.596 1.00 0.00 C ATOM 376 O PHE A 25 30.597 22.459 28.804 1.00 0.00 O ATOM 377 CB PHE A 25 28.287 22.096 30.797 1.00 0.00 C ATOM 378 CG PHE A 25 27.443 21.021 30.141 1.00 0.00 C ATOM 379 CD1 PHE A 25 27.319 20.965 28.737 1.00 0.00 C ATOM 380 CD2 PHE A 25 26.729 20.111 30.940 1.00 0.00 C ATOM 381 CE1 PHE A 25 26.470 20.014 28.142 1.00 0.00 C ATOM 382 CE2 PHE A 25 25.869 19.170 30.344 1.00 0.00 C ATOM 383 CZ PHE A 25 25.737 19.122 28.946 1.00 0.00 C ATOM 0 H PHE A 25 29.774 23.659 31.818 1.00 0.00 H new ATOM 0 HA PHE A 25 29.890 20.840 31.521 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.873 22.306 31.783 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.197 23.011 30.212 1.00 0.00 H new ATOM 0 HD1 PHE A 25 27.876 21.653 28.118 1.00 0.00 H new ATOM 0 HD2 PHE A 25 26.841 20.134 32.014 1.00 0.00 H new ATOM 0 HE1 PHE A 25 26.381 19.969 27.067 1.00 0.00 H new ATOM 0 HE2 PHE A 25 25.310 18.484 30.962 1.00 0.00 H new ATOM 0 HZ PHE A 25 25.074 18.402 28.490 1.00 0.00 H new ATOM 393 N ASN A 26 30.826 20.283 29.308 1.00 0.00 N ATOM 394 CA ASN A 26 31.358 19.902 28.002 1.00 0.00 C ATOM 395 C ASN A 26 30.189 19.500 27.057 1.00 0.00 C ATOM 396 O ASN A 26 29.418 18.594 27.400 1.00 0.00 O ATOM 397 CB ASN A 26 32.426 18.811 28.210 1.00 0.00 C ATOM 398 CG ASN A 26 33.151 18.392 26.933 1.00 0.00 C ATOM 399 OD1 ASN A 26 32.680 18.606 25.824 1.00 0.00 O ATOM 400 ND2 ASN A 26 34.319 17.790 27.048 1.00 0.00 N ATOM 0 H ASN A 26 30.773 19.512 29.974 1.00 0.00 H new ATOM 0 HA ASN A 26 31.856 20.734 27.505 1.00 0.00 H new ATOM 0 HB2 ASN A 26 33.161 19.171 28.930 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.952 17.934 28.650 1.00 0.00 H new ATOM 0 HD21 ASN A 26 34.829 17.503 26.213 1.00 0.00 H new ATOM 0 HD22 ASN A 26 34.712 17.611 27.972 1.00 0.00 H new ATOM 407 N PRO A 27 30.016 20.167 25.893 1.00 0.00 N ATOM 408 CA PRO A 27 28.980 19.857 24.905 1.00 0.00 C ATOM 409 C PRO A 27 29.322 18.659 24.015 1.00 0.00 C ATOM 410 O PRO A 27 28.421 18.109 23.383 1.00 0.00 O ATOM 411 CB PRO A 27 28.889 21.110 24.027 1.00 0.00 C ATOM 412 CG PRO A 27 30.321 21.635 24.031 1.00 0.00 C ATOM 413 CD PRO A 27 30.759 21.342 25.462 1.00 0.00 C ATOM 0 HA PRO A 27 28.053 19.595 25.415 1.00 0.00 H new ATOM 0 HB2 PRO A 27 28.549 20.873 23.019 1.00 0.00 H new ATOM 0 HB3 PRO A 27 28.190 21.840 24.436 1.00 0.00 H new ATOM 0 HG2 PRO A 27 30.946 21.123 23.300 1.00 0.00 H new ATOM 0 HG3 PRO A 27 30.367 22.699 23.800 1.00 0.00 H new ATOM 0 HD2 PRO A 27 31.833 21.160 25.509 1.00 0.00 H new ATOM 0 HD3 PRO A 27 30.551 22.192 26.112 1.00 0.00 H new ATOM 421 N ALA A 28 30.602 18.285 23.915 1.00 0.00 N ATOM 422 CA ALA A 28 31.072 17.233 23.025 1.00 0.00 C ATOM 423 C ALA A 28 31.096 15.860 23.719 1.00 0.00 C ATOM 424 O ALA A 28 30.695 14.866 23.104 1.00 0.00 O ATOM 425 CB ALA A 28 32.465 17.633 22.514 1.00 0.00 C ATOM 0 H ALA A 28 31.348 18.715 24.462 1.00 0.00 H new ATOM 0 HA ALA A 28 30.383 17.129 22.186 1.00 0.00 H new ATOM 0 HB1 ALA A 28 32.842 16.861 21.843 1.00 0.00 H new ATOM 0 HB2 ALA A 28 32.398 18.579 21.977 1.00 0.00 H new ATOM 0 HB3 ALA A 28 33.145 17.743 23.359 1.00 0.00 H new ATOM 431 N THR A 29 31.528 15.821 24.988 1.00 0.00 N ATOM 432 CA THR A 29 31.540 14.645 25.877 1.00 0.00 C ATOM 433 C THR A 29 30.689 14.941 27.108 1.00 0.00 C ATOM 434 O THR A 29 30.761 16.041 27.646 1.00 0.00 O ATOM 435 CB THR A 29 32.970 14.316 26.346 1.00 0.00 C ATOM 436 OG1 THR A 29 33.848 14.254 25.247 1.00 0.00 O ATOM 437 CG2 THR A 29 33.044 12.962 27.056 1.00 0.00 C ATOM 0 H THR A 29 31.899 16.652 25.448 1.00 0.00 H new ATOM 0 HA THR A 29 31.144 13.795 25.322 1.00 0.00 H new ATOM 0 HB THR A 29 33.255 15.110 27.036 1.00 0.00 H new ATOM 0 HG1 THR A 29 34.752 14.046 25.562 1.00 0.00 H new ATOM 0 HG21 THR A 29 34.070 12.771 27.369 1.00 0.00 H new ATOM 0 HG22 THR A 29 32.394 12.974 27.931 1.00 0.00 H new ATOM 0 HG23 THR A 29 32.721 12.175 26.374 1.00 0.00 H new ATOM 445 N ARG A 30 29.945 13.954 27.612 1.00 0.00 N ATOM 446 CA ARG A 30 29.267 14.011 28.914 1.00 0.00 C ATOM 447 C ARG A 30 30.298 14.085 30.047 1.00 0.00 C ATOM 448 O ARG A 30 30.861 13.065 30.462 1.00 0.00 O ATOM 449 CB ARG A 30 28.326 12.806 29.070 1.00 0.00 C ATOM 450 CG ARG A 30 27.068 12.977 28.201 1.00 0.00 C ATOM 451 CD ARG A 30 26.213 11.707 28.156 1.00 0.00 C ATOM 452 NE ARG A 30 25.690 11.332 29.481 1.00 0.00 N ATOM 453 CZ ARG A 30 24.925 10.277 29.726 1.00 0.00 C ATOM 454 NH1 ARG A 30 24.379 9.577 28.754 1.00 0.00 N ATOM 455 NH2 ARG A 30 24.701 9.914 30.968 1.00 0.00 N ATOM 0 H ARG A 30 29.792 13.074 27.119 1.00 0.00 H new ATOM 0 HA ARG A 30 28.659 14.914 28.968 1.00 0.00 H new ATOM 0 HB2 ARG A 30 28.848 11.892 28.786 1.00 0.00 H new ATOM 0 HB3 ARG A 30 28.039 12.697 30.116 1.00 0.00 H new ATOM 0 HG2 ARG A 30 26.470 13.801 28.590 1.00 0.00 H new ATOM 0 HG3 ARG A 30 27.364 13.249 27.188 1.00 0.00 H new ATOM 0 HD2 ARG A 30 25.380 11.858 27.470 1.00 0.00 H new ATOM 0 HD3 ARG A 30 26.809 10.886 27.758 1.00 0.00 H new ATOM 0 HE ARG A 30 25.935 11.930 30.270 1.00 0.00 H new ATOM 0 HH11 ARG A 30 24.540 9.842 27.782 1.00 0.00 H new ATOM 0 HH12 ARG A 30 23.795 8.770 28.973 1.00 0.00 H new ATOM 0 HH21 ARG A 30 25.114 10.442 31.736 1.00 0.00 H new ATOM 0 HH22 ARG A 30 24.114 9.104 31.164 1.00 0.00 H new ATOM 469 N GLU A 31 30.559 15.298 30.529 1.00 0.00 N ATOM 470 CA GLU A 31 31.608 15.657 31.491 1.00 0.00 C ATOM 471 C GLU A 31 31.478 17.144 31.863 1.00 0.00 C ATOM 472 O GLU A 31 30.932 17.941 31.101 1.00 0.00 O ATOM 473 CB GLU A 31 33.010 15.352 30.902 1.00 0.00 C ATOM 474 CG GLU A 31 34.183 15.457 31.891 1.00 0.00 C ATOM 475 CD GLU A 31 33.996 14.534 33.091 1.00 0.00 C ATOM 476 OE1 GLU A 31 34.263 13.316 32.968 1.00 0.00 O ATOM 477 OE2 GLU A 31 33.527 15.008 34.155 1.00 0.00 O ATOM 0 H GLU A 31 30.012 16.110 30.243 1.00 0.00 H new ATOM 0 HA GLU A 31 31.489 15.059 32.394 1.00 0.00 H new ATOM 0 HB2 GLU A 31 32.998 14.345 30.486 1.00 0.00 H new ATOM 0 HB3 GLU A 31 33.194 16.037 30.074 1.00 0.00 H new ATOM 0 HG2 GLU A 31 35.113 15.206 31.380 1.00 0.00 H new ATOM 0 HG3 GLU A 31 34.277 16.487 32.236 1.00 0.00 H new ATOM 484 N SER A 32 32.024 17.558 33.007 1.00 0.00 N ATOM 485 CA SER A 32 32.157 18.988 33.319 1.00 0.00 C ATOM 486 C SER A 32 33.547 19.345 33.868 1.00 0.00 C ATOM 487 O SER A 32 33.966 18.854 34.919 1.00 0.00 O ATOM 488 CB SER A 32 31.008 19.466 34.221 1.00 0.00 C ATOM 489 OG SER A 32 30.937 18.832 35.492 1.00 0.00 O ATOM 0 H SER A 32 32.380 16.932 33.730 1.00 0.00 H new ATOM 0 HA SER A 32 32.072 19.538 32.382 1.00 0.00 H new ATOM 0 HB2 SER A 32 31.109 20.541 34.373 1.00 0.00 H new ATOM 0 HB3 SER A 32 30.065 19.305 33.698 1.00 0.00 H new ATOM 0 HG SER A 32 31.840 18.599 35.792 1.00 0.00 H new ATOM 495 N ARG A 33 34.259 20.209 33.138 1.00 0.00 N ATOM 496 CA ARG A 33 35.601 20.695 33.453 1.00 0.00 C ATOM 497 C ARG A 33 35.538 21.627 34.676 1.00 0.00 C ATOM 498 O ARG A 33 34.728 22.552 34.729 1.00 0.00 O ATOM 499 CB ARG A 33 36.173 21.385 32.195 1.00 0.00 C ATOM 500 CG ARG A 33 37.697 21.579 32.193 1.00 0.00 C ATOM 501 CD ARG A 33 38.465 20.283 31.906 1.00 0.00 C ATOM 502 NE ARG A 33 38.342 19.853 30.498 1.00 0.00 N ATOM 503 CZ ARG A 33 39.192 19.058 29.859 1.00 0.00 C ATOM 504 NH1 ARG A 33 40.239 18.525 30.451 1.00 0.00 N ATOM 505 NH2 ARG A 33 38.995 18.792 28.593 1.00 0.00 N ATOM 0 H ARG A 33 33.896 20.606 32.271 1.00 0.00 H new ATOM 0 HA ARG A 33 36.270 19.877 33.720 1.00 0.00 H new ATOM 0 HB2 ARG A 33 35.896 20.797 31.320 1.00 0.00 H new ATOM 0 HB3 ARG A 33 35.698 22.360 32.087 1.00 0.00 H new ATOM 0 HG2 ARG A 33 37.962 22.325 31.444 1.00 0.00 H new ATOM 0 HG3 ARG A 33 38.009 21.973 33.160 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.518 20.427 32.148 1.00 0.00 H new ATOM 0 HD3 ARG A 33 38.094 19.492 32.558 1.00 0.00 H new ATOM 0 HE ARG A 33 37.537 20.195 29.973 1.00 0.00 H new ATOM 0 HH11 ARG A 33 40.421 18.718 31.436 1.00 0.00 H new ATOM 0 HH12 ARG A 33 40.869 17.919 29.925 1.00 0.00 H new ATOM 0 HH21 ARG A 33 38.194 19.194 28.106 1.00 0.00 H new ATOM 0 HH22 ARG A 33 39.642 18.182 28.093 1.00 0.00 H new ATOM 519 N TRP A 34 36.379 21.358 35.671 1.00 0.00 N ATOM 520 CA TRP A 34 36.302 21.941 37.020 1.00 0.00 C ATOM 521 C TRP A 34 37.121 23.234 37.128 1.00 0.00 C ATOM 522 O TRP A 34 36.669 24.233 37.683 1.00 0.00 O ATOM 523 CB TRP A 34 36.817 20.894 38.041 1.00 0.00 C ATOM 524 CG TRP A 34 36.597 19.462 37.657 1.00 0.00 C ATOM 525 CD1 TRP A 34 35.629 18.647 38.130 1.00 0.00 C ATOM 526 CD2 TRP A 34 37.317 18.678 36.653 1.00 0.00 C ATOM 527 NE1 TRP A 34 35.647 17.457 37.435 1.00 0.00 N ATOM 528 CE2 TRP A 34 36.620 17.450 36.457 1.00 0.00 C ATOM 529 CE3 TRP A 34 38.457 18.909 35.858 1.00 0.00 C ATOM 530 CZ2 TRP A 34 36.987 16.544 35.455 1.00 0.00 C ATOM 531 CZ3 TRP A 34 38.855 17.983 34.871 1.00 0.00 C ATOM 532 CH2 TRP A 34 38.107 16.818 34.654 1.00 0.00 C ATOM 0 H TRP A 34 37.159 20.709 35.564 1.00 0.00 H new ATOM 0 HA TRP A 34 35.265 22.199 37.232 1.00 0.00 H new ATOM 0 HB2 TRP A 34 37.885 21.053 38.192 1.00 0.00 H new ATOM 0 HB3 TRP A 34 36.330 21.075 38.999 1.00 0.00 H new ATOM 0 HD1 TRP A 34 34.946 18.891 38.930 1.00 0.00 H new ATOM 0 HE1 TRP A 34 35.017 16.676 37.621 1.00 0.00 H new ATOM 0 HE3 TRP A 34 39.035 19.809 36.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 36.414 15.642 35.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 39.739 18.173 34.281 1.00 0.00 H new ATOM 0 HH2 TRP A 34 38.392 16.131 33.871 1.00 0.00 H new ATOM 543 N GLU A 35 38.344 23.179 36.599 1.00 0.00 N ATOM 544 CA GLU A 35 39.457 24.110 36.796 1.00 0.00 C ATOM 545 C GLU A 35 40.352 24.056 35.533 1.00 0.00 C ATOM 546 O GLU A 35 40.195 23.113 34.748 1.00 0.00 O ATOM 547 CB GLU A 35 40.237 23.699 38.067 1.00 0.00 C ATOM 548 CG GLU A 35 39.418 23.875 39.359 1.00 0.00 C ATOM 549 CD GLU A 35 40.224 23.537 40.606 1.00 0.00 C ATOM 550 OE1 GLU A 35 41.173 24.285 40.934 1.00 0.00 O ATOM 551 OE2 GLU A 35 39.915 22.536 41.292 1.00 0.00 O ATOM 0 H GLU A 35 38.603 22.419 35.970 1.00 0.00 H new ATOM 0 HA GLU A 35 39.105 25.132 36.936 1.00 0.00 H new ATOM 0 HB2 GLU A 35 40.544 22.657 37.977 1.00 0.00 H new ATOM 0 HB3 GLU A 35 41.147 24.295 38.136 1.00 0.00 H new ATOM 0 HG2 GLU A 35 39.065 24.904 39.425 1.00 0.00 H new ATOM 0 HG3 GLU A 35 38.535 23.237 39.316 1.00 0.00 H new ATOM 558 N PRO A 36 41.253 25.031 35.276 1.00 0.00 N ATOM 559 CA PRO A 36 41.951 25.154 33.991 1.00 0.00 C ATOM 560 C PRO A 36 42.813 23.921 33.635 1.00 0.00 C ATOM 561 O PRO A 36 43.689 23.568 34.432 1.00 0.00 O ATOM 562 CB PRO A 36 42.804 26.426 34.092 1.00 0.00 C ATOM 563 CG PRO A 36 42.104 27.247 35.170 1.00 0.00 C ATOM 564 CD PRO A 36 41.539 26.189 36.112 1.00 0.00 C ATOM 0 HA PRO A 36 41.224 25.214 33.181 1.00 0.00 H new ATOM 0 HB2 PRO A 36 43.833 26.197 34.368 1.00 0.00 H new ATOM 0 HB3 PRO A 36 42.840 26.960 33.142 1.00 0.00 H new ATOM 0 HG2 PRO A 36 42.799 27.911 35.683 1.00 0.00 H new ATOM 0 HG3 PRO A 36 41.316 27.873 34.750 1.00 0.00 H new ATOM 0 HD2 PRO A 36 42.255 25.939 36.895 1.00 0.00 H new ATOM 0 HD3 PRO A 36 40.636 26.547 36.607 1.00 0.00 H new ATOM 572 N PRO A 37 42.594 23.267 32.471 1.00 0.00 N ATOM 573 CA PRO A 37 43.359 22.103 32.013 1.00 0.00 C ATOM 574 C PRO A 37 44.625 22.475 31.231 1.00 0.00 C ATOM 575 O PRO A 37 44.727 23.560 30.665 1.00 0.00 O ATOM 576 CB PRO A 37 42.401 21.321 31.110 1.00 0.00 C ATOM 577 CG PRO A 37 41.531 22.412 30.502 1.00 0.00 C ATOM 578 CD PRO A 37 41.433 23.457 31.608 1.00 0.00 C ATOM 0 HA PRO A 37 43.710 21.530 32.871 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.937 20.759 30.345 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.809 20.602 31.677 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.981 22.826 29.599 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.548 22.031 30.223 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.423 24.463 31.189 1.00 0.00 H new ATOM 0 HD3 PRO A 37 40.508 23.337 32.172 1.00 0.00 H new ATOM 586 N ALA A 38 45.543 21.510 31.102 1.00 0.00 N ATOM 587 CA ALA A 38 46.759 21.593 30.275 1.00 0.00 C ATOM 588 C ALA A 38 46.505 21.787 28.757 1.00 0.00 C ATOM 589 O ALA A 38 47.443 21.995 27.983 1.00 0.00 O ATOM 590 CB ALA A 38 47.565 20.314 30.540 1.00 0.00 C ATOM 0 H ALA A 38 45.459 20.617 31.587 1.00 0.00 H new ATOM 0 HA ALA A 38 47.305 22.492 30.562 1.00 0.00 H new ATOM 0 HB1 ALA A 38 48.479 20.330 29.946 1.00 0.00 H new ATOM 0 HB2 ALA A 38 47.820 20.258 31.598 1.00 0.00 H new ATOM 0 HB3 ALA A 38 46.969 19.444 30.264 1.00 0.00 H new ATOM 596 N ASP A 39 45.244 21.719 28.323 1.00 0.00 N ATOM 597 CA ASP A 39 44.790 21.888 26.935 1.00 0.00 C ATOM 598 C ASP A 39 44.108 23.253 26.667 1.00 0.00 C ATOM 599 O ASP A 39 43.506 23.467 25.612 1.00 0.00 O ATOM 600 CB ASP A 39 43.870 20.701 26.599 1.00 0.00 C ATOM 601 CG ASP A 39 43.683 20.497 25.097 1.00 0.00 C ATOM 602 OD1 ASP A 39 44.635 20.771 24.326 1.00 0.00 O ATOM 603 OD2 ASP A 39 42.600 20.007 24.695 1.00 0.00 O ATOM 0 H ASP A 39 44.470 21.535 28.961 1.00 0.00 H new ATOM 0 HA ASP A 39 45.659 21.894 26.277 1.00 0.00 H new ATOM 0 HB2 ASP A 39 44.285 19.792 27.035 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.896 20.861 27.062 1.00 0.00 H new ATOM 608 N THR A 40 44.174 24.172 27.636 1.00 0.00 N ATOM 609 CA THR A 40 43.617 25.534 27.592 1.00 0.00 C ATOM 610 C THR A 40 44.643 26.542 27.031 1.00 0.00 C ATOM 611 O THR A 40 45.741 26.141 26.643 1.00 0.00 O ATOM 612 CB THR A 40 43.094 25.797 29.008 1.00 0.00 C ATOM 613 OG1 THR A 40 41.885 26.482 28.970 1.00 0.00 O ATOM 614 CG2 THR A 40 44.036 26.540 29.948 1.00 0.00 C ATOM 0 H THR A 40 44.642 23.978 28.521 1.00 0.00 H new ATOM 0 HA THR A 40 42.788 25.653 26.894 1.00 0.00 H new ATOM 0 HB THR A 40 42.983 24.795 29.423 1.00 0.00 H new ATOM 0 HG1 THR A 40 41.857 27.052 28.173 1.00 0.00 H new ATOM 0 HG21 THR A 40 43.556 26.667 30.918 1.00 0.00 H new ATOM 0 HG22 THR A 40 44.955 25.967 30.070 1.00 0.00 H new ATOM 0 HG23 THR A 40 44.271 27.518 29.529 1.00 0.00 H new ATOM 622 N ASP A 41 44.320 27.838 26.915 1.00 0.00 N ATOM 623 CA ASP A 41 45.178 28.807 26.184 1.00 0.00 C ATOM 624 C ASP A 41 45.986 29.709 27.126 1.00 0.00 C ATOM 625 O ASP A 41 47.094 30.155 26.824 1.00 0.00 O ATOM 626 CB ASP A 41 44.278 29.705 25.323 1.00 0.00 C ATOM 627 CG ASP A 41 45.086 30.552 24.336 1.00 0.00 C ATOM 628 OD1 ASP A 41 45.380 30.044 23.227 1.00 0.00 O ATOM 629 OD2 ASP A 41 45.465 31.698 24.673 1.00 0.00 O ATOM 0 H ASP A 41 43.475 28.247 27.314 1.00 0.00 H new ATOM 0 HA ASP A 41 45.881 28.232 25.582 1.00 0.00 H new ATOM 0 HB2 ASP A 41 43.569 29.086 24.773 1.00 0.00 H new ATOM 0 HB3 ASP A 41 43.695 30.360 25.970 1.00 0.00 H new ATOM 634 N MET A 42 45.346 30.012 28.254 1.00 0.00 N ATOM 635 CA MET A 42 45.712 30.971 29.291 1.00 0.00 C ATOM 636 C MET A 42 45.820 32.432 28.834 1.00 0.00 C ATOM 637 O MET A 42 45.315 33.273 29.564 1.00 0.00 O ATOM 638 CB MET A 42 46.904 30.483 30.124 1.00 0.00 C ATOM 639 CG MET A 42 46.389 29.376 31.059 1.00 0.00 C ATOM 640 SD MET A 42 47.625 28.625 32.151 1.00 0.00 S ATOM 641 CE MET A 42 48.069 30.052 33.175 1.00 0.00 C ATOM 0 H MET A 42 44.470 29.544 28.486 1.00 0.00 H new ATOM 0 HA MET A 42 44.853 31.005 29.961 1.00 0.00 H new ATOM 0 HB2 MET A 42 47.694 30.102 29.477 1.00 0.00 H new ATOM 0 HB3 MET A 42 47.332 31.304 30.700 1.00 0.00 H new ATOM 0 HG2 MET A 42 45.591 29.790 31.676 1.00 0.00 H new ATOM 0 HG3 MET A 42 45.945 28.589 30.449 1.00 0.00 H new ATOM 0 HE1 MET A 42 48.743 29.734 33.970 1.00 0.00 H new ATOM 0 HE2 MET A 42 48.564 30.802 32.558 1.00 0.00 H new ATOM 0 HE3 MET A 42 47.167 30.480 33.614 1.00 0.00 H new ATOM 651 N GLU A 43 46.333 32.775 27.649 1.00 0.00 N ATOM 652 CA GLU A 43 46.450 34.184 27.234 1.00 0.00 C ATOM 653 C GLU A 43 45.067 34.848 27.094 1.00 0.00 C ATOM 654 O GLU A 43 44.792 35.840 27.776 1.00 0.00 O ATOM 655 CB GLU A 43 47.259 34.307 25.935 1.00 0.00 C ATOM 656 CG GLU A 43 47.742 35.739 25.674 1.00 0.00 C ATOM 657 CD GLU A 43 48.857 36.150 26.633 1.00 0.00 C ATOM 658 OE1 GLU A 43 50.035 35.882 26.309 1.00 0.00 O ATOM 659 OE2 GLU A 43 48.579 36.766 27.691 1.00 0.00 O ATOM 0 H GLU A 43 46.673 32.104 26.961 1.00 0.00 H new ATOM 0 HA GLU A 43 46.989 34.716 28.018 1.00 0.00 H new ATOM 0 HB2 GLU A 43 48.120 33.640 25.983 1.00 0.00 H new ATOM 0 HB3 GLU A 43 46.646 33.976 25.097 1.00 0.00 H new ATOM 0 HG2 GLU A 43 48.099 35.820 24.647 1.00 0.00 H new ATOM 0 HG3 GLU A 43 46.904 36.429 25.775 1.00 0.00 H new ATOM 666 N THR A 44 44.162 34.240 26.312 1.00 0.00 N ATOM 667 CA THR A 44 42.728 34.600 26.213 1.00 0.00 C ATOM 668 C THR A 44 41.963 34.359 27.512 1.00 0.00 C ATOM 669 O THR A 44 40.779 34.665 27.607 1.00 0.00 O ATOM 670 CB THR A 44 42.054 33.731 25.136 1.00 0.00 C ATOM 671 OG1 THR A 44 42.913 33.528 24.042 1.00 0.00 O ATOM 672 CG2 THR A 44 40.755 34.312 24.573 1.00 0.00 C ATOM 0 H THR A 44 44.411 33.457 25.708 1.00 0.00 H new ATOM 0 HA THR A 44 42.696 35.663 25.973 1.00 0.00 H new ATOM 0 HB THR A 44 41.821 32.801 25.655 1.00 0.00 H new ATOM 0 HG1 THR A 44 42.463 32.972 23.372 1.00 0.00 H new ATOM 0 HG21 THR A 44 40.349 33.635 23.821 1.00 0.00 H new ATOM 0 HG22 THR A 44 40.032 34.435 25.379 1.00 0.00 H new ATOM 0 HG23 THR A 44 40.957 35.281 24.117 1.00 0.00 H new ATOM 680 N LEU A 45 42.591 33.739 28.509 1.00 0.00 N ATOM 681 CA LEU A 45 41.897 33.206 29.665 1.00 0.00 C ATOM 682 C LEU A 45 42.242 33.962 30.946 1.00 0.00 C ATOM 683 O LEU A 45 41.397 34.038 31.819 1.00 0.00 O ATOM 684 CB LEU A 45 42.250 31.723 29.759 1.00 0.00 C ATOM 685 CG LEU A 45 41.206 30.824 30.411 1.00 0.00 C ATOM 686 CD1 LEU A 45 39.752 30.803 29.960 1.00 0.00 C ATOM 687 CD2 LEU A 45 41.763 29.400 30.510 1.00 0.00 C ATOM 0 H LEU A 45 43.601 33.595 28.532 1.00 0.00 H new ATOM 0 HA LEU A 45 40.821 33.331 29.546 1.00 0.00 H new ATOM 0 HB2 LEU A 45 42.442 31.352 28.752 1.00 0.00 H new ATOM 0 HB3 LEU A 45 43.182 31.627 30.317 1.00 0.00 H new ATOM 0 HG LEU A 45 41.071 31.335 31.364 1.00 0.00 H new ATOM 0 HD11 LEU A 45 39.193 30.089 30.566 1.00 0.00 H new ATOM 0 HD12 LEU A 45 39.320 31.797 30.079 1.00 0.00 H new ATOM 0 HD13 LEU A 45 39.700 30.508 28.912 1.00 0.00 H new ATOM 0 HD21 LEU A 45 41.021 28.751 30.976 1.00 0.00 H new ATOM 0 HD22 LEU A 45 41.994 29.029 29.511 1.00 0.00 H new ATOM 0 HD23 LEU A 45 42.671 29.405 31.114 1.00 0.00 H new ATOM 699 N LYS A 46 43.415 34.583 31.079 1.00 0.00 N ATOM 700 CA LYS A 46 43.713 35.492 32.195 1.00 0.00 C ATOM 701 C LYS A 46 42.768 36.711 32.162 1.00 0.00 C ATOM 702 O LYS A 46 42.195 37.072 33.187 1.00 0.00 O ATOM 703 CB LYS A 46 45.203 35.890 32.147 1.00 0.00 C ATOM 704 CG LYS A 46 46.147 35.090 33.070 1.00 0.00 C ATOM 705 CD LYS A 46 46.349 33.594 32.779 1.00 0.00 C ATOM 706 CE LYS A 46 45.199 32.649 33.166 1.00 0.00 C ATOM 707 NZ LYS A 46 44.972 32.598 34.629 1.00 0.00 N ATOM 0 H LYS A 46 44.186 34.473 30.420 1.00 0.00 H new ATOM 0 HA LYS A 46 43.537 34.989 33.146 1.00 0.00 H new ATOM 0 HB2 LYS A 46 45.554 35.783 31.121 1.00 0.00 H new ATOM 0 HB3 LYS A 46 45.285 36.946 32.404 1.00 0.00 H new ATOM 0 HG2 LYS A 46 47.125 35.570 33.043 1.00 0.00 H new ATOM 0 HG3 LYS A 46 45.774 35.184 34.090 1.00 0.00 H new ATOM 0 HD2 LYS A 46 46.539 33.478 31.712 1.00 0.00 H new ATOM 0 HD3 LYS A 46 47.248 33.265 33.300 1.00 0.00 H new ATOM 0 HE2 LYS A 46 44.284 32.974 32.671 1.00 0.00 H new ATOM 0 HE3 LYS A 46 45.419 31.646 32.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 44.135 32.015 34.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 45.804 32.182 35.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 44.818 33.561 34.990 1.00 0.00 H new ATOM 721 N MET A 47 42.495 37.234 30.958 1.00 0.00 N ATOM 722 CA MET A 47 41.455 38.241 30.663 1.00 0.00 C ATOM 723 C MET A 47 40.003 37.774 30.921 1.00 0.00 C ATOM 724 O MET A 47 39.074 38.575 30.825 1.00 0.00 O ATOM 725 CB MET A 47 41.636 38.737 29.213 1.00 0.00 C ATOM 726 CG MET A 47 41.519 37.639 28.153 1.00 0.00 C ATOM 727 SD MET A 47 41.571 38.260 26.454 1.00 0.00 S ATOM 728 CE MET A 47 39.788 38.407 26.190 1.00 0.00 C ATOM 0 H MET A 47 43.013 36.957 30.124 1.00 0.00 H new ATOM 0 HA MET A 47 41.600 39.058 31.370 1.00 0.00 H new ATOM 0 HB2 MET A 47 40.890 39.505 29.008 1.00 0.00 H new ATOM 0 HB3 MET A 47 42.614 39.210 29.123 1.00 0.00 H new ATOM 0 HG2 MET A 47 42.328 36.923 28.294 1.00 0.00 H new ATOM 0 HG3 MET A 47 40.585 37.098 28.304 1.00 0.00 H new ATOM 0 HE1 MET A 47 39.599 38.781 25.184 1.00 0.00 H new ATOM 0 HE2 MET A 47 39.321 37.429 26.307 1.00 0.00 H new ATOM 0 HE3 MET A 47 39.368 39.100 26.919 1.00 0.00 H new ATOM 738 N TYR A 48 39.792 36.493 31.241 1.00 0.00 N ATOM 739 CA TYR A 48 38.497 35.915 31.627 1.00 0.00 C ATOM 740 C TYR A 48 38.448 35.560 33.121 1.00 0.00 C ATOM 741 O TYR A 48 37.527 35.946 33.828 1.00 0.00 O ATOM 742 CB TYR A 48 38.284 34.660 30.771 1.00 0.00 C ATOM 743 CG TYR A 48 37.201 33.723 31.262 1.00 0.00 C ATOM 744 CD1 TYR A 48 35.842 34.037 31.087 1.00 0.00 C ATOM 745 CD2 TYR A 48 37.566 32.501 31.857 1.00 0.00 C ATOM 746 CE1 TYR A 48 34.850 33.111 31.463 1.00 0.00 C ATOM 747 CE2 TYR A 48 36.584 31.563 32.216 1.00 0.00 C ATOM 748 CZ TYR A 48 35.219 31.865 32.020 1.00 0.00 C ATOM 749 OH TYR A 48 34.269 30.937 32.319 1.00 0.00 O ATOM 0 H TYR A 48 40.544 35.804 31.239 1.00 0.00 H new ATOM 0 HA TYR A 48 37.706 36.646 31.458 1.00 0.00 H new ATOM 0 HB2 TYR A 48 38.041 34.970 29.754 1.00 0.00 H new ATOM 0 HB3 TYR A 48 39.224 34.110 30.721 1.00 0.00 H new ATOM 0 HD1 TYR A 48 35.558 34.989 30.664 1.00 0.00 H new ATOM 0 HD2 TYR A 48 38.608 32.283 32.039 1.00 0.00 H new ATOM 0 HE1 TYR A 48 33.806 33.353 31.326 1.00 0.00 H new ATOM 0 HE2 TYR A 48 36.873 30.613 32.641 1.00 0.00 H new ATOM 0 HH TYR A 48 34.655 30.250 32.902 1.00 0.00 H new ATOM 759 N MET A 49 39.462 34.831 33.592 1.00 0.00 N ATOM 760 CA MET A 49 39.639 34.343 34.959 1.00 0.00 C ATOM 761 C MET A 49 39.768 35.494 35.970 1.00 0.00 C ATOM 762 O MET A 49 39.186 35.413 37.049 1.00 0.00 O ATOM 763 CB MET A 49 40.867 33.416 34.977 1.00 0.00 C ATOM 764 CG MET A 49 40.588 32.020 34.411 1.00 0.00 C ATOM 765 SD MET A 49 42.006 30.898 34.522 1.00 0.00 S ATOM 766 CE MET A 49 42.040 30.684 36.326 1.00 0.00 C ATOM 0 H MET A 49 40.232 34.548 32.987 1.00 0.00 H new ATOM 0 HA MET A 49 38.755 33.785 35.268 1.00 0.00 H new ATOM 0 HB2 MET A 49 41.670 33.878 34.403 1.00 0.00 H new ATOM 0 HB3 MET A 49 41.224 33.319 36.002 1.00 0.00 H new ATOM 0 HG2 MET A 49 39.745 31.582 34.946 1.00 0.00 H new ATOM 0 HG3 MET A 49 40.289 32.113 33.367 1.00 0.00 H new ATOM 0 HE1 MET A 49 42.748 29.897 36.586 1.00 0.00 H new ATOM 0 HE2 MET A 49 42.346 31.618 36.797 1.00 0.00 H new ATOM 0 HE3 MET A 49 41.046 30.408 36.678 1.00 0.00 H new ATOM 776 N ALA A 50 40.429 36.600 35.610 1.00 0.00 N ATOM 777 CA ALA A 50 40.200 37.896 36.250 1.00 0.00 C ATOM 778 C ALA A 50 38.976 38.552 35.578 1.00 0.00 C ATOM 779 O ALA A 50 39.110 39.253 34.569 1.00 0.00 O ATOM 780 CB ALA A 50 41.489 38.724 36.158 1.00 0.00 C ATOM 0 H ALA A 50 41.133 36.620 34.872 1.00 0.00 H new ATOM 0 HA ALA A 50 39.969 37.806 37.311 1.00 0.00 H new ATOM 0 HB1 ALA A 50 41.333 39.693 36.631 1.00 0.00 H new ATOM 0 HB2 ALA A 50 42.297 38.198 36.666 1.00 0.00 H new ATOM 0 HB3 ALA A 50 41.754 38.870 35.111 1.00 0.00 H new ATOM 786 N THR A 51 37.781 38.246 36.101 1.00 0.00 N ATOM 787 CA THR A 51 36.476 38.494 35.459 1.00 0.00 C ATOM 788 C THR A 51 35.917 39.899 35.677 1.00 0.00 C ATOM 789 O THR A 51 34.912 40.246 35.053 1.00 0.00 O ATOM 790 CB THR A 51 35.475 37.411 35.889 1.00 0.00 C ATOM 791 OG1 THR A 51 34.307 37.558 35.122 1.00 0.00 O ATOM 792 CG2 THR A 51 35.092 37.472 37.367 1.00 0.00 C ATOM 0 H THR A 51 37.689 37.803 37.015 1.00 0.00 H new ATOM 0 HA THR A 51 36.643 38.436 34.383 1.00 0.00 H new ATOM 0 HB THR A 51 35.962 36.449 35.729 1.00 0.00 H new ATOM 0 HG1 THR A 51 34.143 38.510 34.955 1.00 0.00 H new ATOM 0 HG21 THR A 51 34.383 36.676 37.592 1.00 0.00 H new ATOM 0 HG22 THR A 51 35.985 37.347 37.980 1.00 0.00 H new ATOM 0 HG23 THR A 51 34.635 38.437 37.585 1.00 0.00 H new ATOM 800 N TYR A 52 36.515 40.700 36.558 1.00 0.00 N ATOM 801 CA TYR A 52 36.112 42.092 36.759 1.00 0.00 C ATOM 802 C TYR A 52 36.833 43.049 35.794 1.00 0.00 C ATOM 803 O TYR A 52 38.066 43.070 35.718 1.00 0.00 O ATOM 804 CB TYR A 52 36.316 42.489 38.222 1.00 0.00 C ATOM 805 CG TYR A 52 35.421 43.636 38.640 1.00 0.00 C ATOM 806 CD1 TYR A 52 34.060 43.385 38.898 1.00 0.00 C ATOM 807 CD2 TYR A 52 35.934 44.939 38.781 1.00 0.00 C ATOM 808 CE1 TYR A 52 33.207 44.427 39.303 1.00 0.00 C ATOM 809 CE2 TYR A 52 35.089 45.983 39.208 1.00 0.00 C ATOM 810 CZ TYR A 52 33.721 45.733 39.460 1.00 0.00 C ATOM 811 OH TYR A 52 32.896 46.752 39.827 1.00 0.00 O ATOM 0 H TYR A 52 37.290 40.404 37.151 1.00 0.00 H new ATOM 0 HA TYR A 52 35.050 42.177 36.527 1.00 0.00 H new ATOM 0 HB2 TYR A 52 36.119 41.627 38.860 1.00 0.00 H new ATOM 0 HB3 TYR A 52 37.358 42.770 38.377 1.00 0.00 H new ATOM 0 HD1 TYR A 52 33.668 42.385 38.784 1.00 0.00 H new ATOM 0 HD2 TYR A 52 36.973 45.138 38.563 1.00 0.00 H new ATOM 0 HE1 TYR A 52 32.162 44.229 39.493 1.00 0.00 H new ATOM 0 HE2 TYR A 52 35.488 46.977 39.343 1.00 0.00 H new ATOM 0 HH TYR A 52 33.411 47.583 39.891 1.00 0.00 H new ATOM 821 N HIS A 53 36.049 43.851 35.067 1.00 0.00 N ATOM 822 CA HIS A 53 36.475 44.736 33.969 1.00 0.00 C ATOM 823 C HIS A 53 35.796 46.101 34.034 1.00 0.00 C ATOM 824 O HIS A 53 36.410 47.093 33.581 1.00 0.00 O ATOM 825 CB HIS A 53 36.158 44.064 32.613 1.00 0.00 C ATOM 826 CG HIS A 53 36.497 42.598 32.488 1.00 0.00 C ATOM 827 ND1 HIS A 53 35.600 41.600 32.095 1.00 0.00 N ATOM 828 CD2 HIS A 53 37.704 42.018 32.738 1.00 0.00 C ATOM 829 CE1 HIS A 53 36.279 40.443 32.160 1.00 0.00 C ATOM 830 NE2 HIS A 53 37.548 40.667 32.534 1.00 0.00 N ATOM 831 OXT HIS A 53 34.649 46.187 34.533 1.00 0.00 O ATOM 0 H HIS A 53 35.044 43.906 35.235 1.00 0.00 H new ATOM 0 HA HIS A 53 37.548 44.897 34.071 1.00 0.00 H new ATOM 0 HB2 HIS A 53 35.093 44.185 32.414 1.00 0.00 H new ATOM 0 HB3 HIS A 53 36.692 44.605 31.832 1.00 0.00 H new ATOM 0 HD2 HIS A 53 38.610 42.523 33.039 1.00 0.00 H new ATOM 0 HE1 HIS A 53 35.863 39.471 31.942 1.00 0.00 H new ATOM 0 HE2 HIS A 53 38.272 39.958 32.647 1.00 0.00 H new TER 839 HIS A 53