USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 369 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+ -102:sc= 0.0642 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.562 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0738 K(o=-0.074,f=0.47) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 19 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -22.973 -8.269 6.306 1.00 10.00 N ATOM 2 CA SER A 1 -23.182 -7.120 5.380 1.00 10.00 C ATOM 3 C SER A 1 -22.282 -7.285 4.152 1.00 10.00 C ATOM 4 O SER A 1 -21.259 -7.938 4.203 1.00 10.00 O ATOM 5 CB SER A 1 -22.828 -5.817 6.098 1.00 10.00 C ATOM 6 OG SER A 1 -23.646 -4.768 5.596 1.00 10.00 O ATOM 0 H1 SER A 1 -23.758 -8.944 6.205 1.00 10.00 H new ATOM 0 H2 SER A 1 -22.077 -8.743 6.074 1.00 10.00 H new ATOM 0 H3 SER A 1 -22.938 -7.923 7.286 1.00 10.00 H new ATOM 0 HA SER A 1 -24.225 -7.091 5.066 1.00 10.00 H new ATOM 0 HB2 SER A 1 -22.977 -5.928 7.172 1.00 10.00 H new ATOM 0 HB3 SER A 1 -21.776 -5.578 5.945 1.00 10.00 H new ATOM 0 HG SER A 1 -23.423 -3.931 6.055 1.00 10.00 H new ATOM 14 N THR A 2 -22.657 -6.698 3.048 1.00 10.00 N ATOM 15 CA THR A 2 -21.824 -6.820 1.819 1.00 10.00 C ATOM 16 C THR A 2 -21.701 -8.295 1.430 1.00 10.00 C ATOM 17 O THR A 2 -22.491 -8.814 0.668 1.00 10.00 O ATOM 18 CB THR A 2 -20.430 -6.247 2.087 1.00 10.00 C ATOM 19 OG1 THR A 2 -20.527 -4.842 2.275 1.00 10.00 O ATOM 20 CG2 THR A 2 -19.517 -6.544 0.896 1.00 10.00 C ATOM 0 H THR A 2 -23.504 -6.139 2.945 1.00 10.00 H new ATOM 0 HA THR A 2 -22.295 -6.267 1.006 1.00 10.00 H new ATOM 0 HB THR A 2 -20.013 -6.706 2.983 1.00 10.00 H new ATOM 0 HG1 THR A 2 -19.636 -4.473 2.449 1.00 10.00 H new ATOM 0 HG21 THR A 2 -18.525 -6.136 1.088 1.00 10.00 H new ATOM 0 HG22 THR A 2 -19.444 -7.622 0.753 1.00 10.00 H new ATOM 0 HG23 THR A 2 -19.931 -6.086 -0.003 1.00 10.00 H new ATOM 28 N ASN A 3 -20.712 -8.974 1.947 1.00 10.00 N ATOM 29 CA ASN A 3 -20.538 -10.415 1.606 1.00 10.00 C ATOM 30 C ASN A 3 -19.576 -11.063 2.606 1.00 10.00 C ATOM 31 O ASN A 3 -18.393 -11.168 2.346 1.00 10.00 O ATOM 32 CB ASN A 3 -19.964 -10.538 0.193 1.00 10.00 C ATOM 33 CG ASN A 3 -20.191 -11.958 -0.329 1.00 10.00 C ATOM 34 OD1 ASN A 3 -21.317 -12.373 -0.522 1.00 10.00 O ATOM 35 ND2 ASN A 3 -19.163 -12.725 -0.566 1.00 10.00 N ATOM 0 H ASN A 3 -20.018 -8.593 2.590 1.00 10.00 H new ATOM 0 HA ASN A 3 -21.503 -10.919 1.652 1.00 10.00 H new ATOM 0 HB2 ASN A 3 -20.441 -9.815 -0.469 1.00 10.00 H new ATOM 0 HB3 ASN A 3 -18.899 -10.308 0.201 1.00 10.00 H new ATOM 0 HD21 ASN A 3 -19.304 -13.674 -0.914 1.00 10.00 H new ATOM 0 HD22 ASN A 3 -18.218 -12.376 -0.404 1.00 10.00 H new ATOM 42 N PRO A 4 -20.115 -11.478 3.723 1.00 10.00 N ATOM 43 CA PRO A 4 -19.334 -12.124 4.793 1.00 10.00 C ATOM 44 C PRO A 4 -19.055 -13.589 4.443 1.00 10.00 C ATOM 45 O PRO A 4 -19.585 -14.495 5.055 1.00 10.00 O ATOM 46 CB PRO A 4 -20.250 -12.024 6.015 1.00 10.00 C ATOM 47 CG PRO A 4 -21.689 -11.857 5.471 1.00 10.00 C ATOM 48 CD PRO A 4 -21.556 -11.342 4.025 1.00 10.00 C ATOM 0 HA PRO A 4 -18.361 -11.659 4.953 1.00 10.00 H new ATOM 0 HB2 PRO A 4 -20.170 -12.918 6.634 1.00 10.00 H new ATOM 0 HB3 PRO A 4 -19.971 -11.177 6.641 1.00 10.00 H new ATOM 0 HG2 PRO A 4 -22.225 -12.806 5.497 1.00 10.00 H new ATOM 0 HG3 PRO A 4 -22.255 -11.154 6.082 1.00 10.00 H new ATOM 0 HD2 PRO A 4 -22.164 -11.928 3.336 1.00 10.00 H new ATOM 0 HD3 PRO A 4 -21.885 -10.306 3.939 1.00 10.00 H new ATOM 56 N LYS A 5 -18.231 -13.829 3.460 1.00 10.00 N ATOM 57 CA LYS A 5 -17.926 -15.234 3.070 1.00 10.00 C ATOM 58 C LYS A 5 -16.905 -15.837 4.043 1.00 10.00 C ATOM 59 O LYS A 5 -17.134 -16.895 4.597 1.00 10.00 O ATOM 60 CB LYS A 5 -17.356 -15.259 1.651 1.00 10.00 C ATOM 61 CG LYS A 5 -18.236 -16.141 0.764 1.00 10.00 C ATOM 62 CD LYS A 5 -17.356 -16.922 -0.215 1.00 10.00 C ATOM 63 CE LYS A 5 -17.538 -18.422 0.019 1.00 10.00 C ATOM 64 NZ LYS A 5 -18.131 -19.046 -1.197 1.00 10.00 N ATOM 0 H LYS A 5 -17.756 -13.113 2.910 1.00 10.00 H new ATOM 0 HA LYS A 5 -18.844 -15.821 3.105 1.00 10.00 H new ATOM 0 HB2 LYS A 5 -17.312 -14.247 1.247 1.00 10.00 H new ATOM 0 HB3 LYS A 5 -16.335 -15.641 1.664 1.00 10.00 H new ATOM 0 HG2 LYS A 5 -18.815 -16.831 1.379 1.00 10.00 H new ATOM 0 HG3 LYS A 5 -18.950 -15.526 0.216 1.00 10.00 H new ATOM 0 HD2 LYS A 5 -17.622 -16.669 -1.241 1.00 10.00 H new ATOM 0 HD3 LYS A 5 -16.310 -16.646 -0.080 1.00 10.00 H new ATOM 0 HE2 LYS A 5 -16.578 -18.885 0.247 1.00 10.00 H new ATOM 0 HE3 LYS A 5 -18.185 -18.591 0.880 1.00 10.00 H new ATOM 0 HZ1 LYS A 5 -18.255 -20.066 -1.038 1.00 10.00 H new ATOM 0 HZ2 LYS A 5 -19.055 -18.612 -1.395 1.00 10.00 H new ATOM 0 HZ3 LYS A 5 -17.497 -18.896 -2.008 1.00 10.00 H new ATOM 78 N PRO A 6 -15.801 -15.152 4.217 1.00 10.00 N ATOM 79 CA PRO A 6 -14.722 -15.605 5.112 1.00 10.00 C ATOM 80 C PRO A 6 -15.076 -15.313 6.573 1.00 10.00 C ATOM 81 O PRO A 6 -15.912 -14.481 6.866 1.00 10.00 O ATOM 82 CB PRO A 6 -13.515 -14.775 4.667 1.00 10.00 C ATOM 83 CG PRO A 6 -14.084 -13.522 3.959 1.00 10.00 C ATOM 84 CD PRO A 6 -15.526 -13.866 3.542 1.00 10.00 C ATOM 0 HA PRO A 6 -14.541 -16.678 5.054 1.00 10.00 H new ATOM 0 HB2 PRO A 6 -12.901 -14.493 5.522 1.00 10.00 H new ATOM 0 HB3 PRO A 6 -12.878 -15.347 3.992 1.00 10.00 H new ATOM 0 HG2 PRO A 6 -14.069 -12.660 4.626 1.00 10.00 H new ATOM 0 HG3 PRO A 6 -13.481 -13.262 3.089 1.00 10.00 H new ATOM 0 HD2 PRO A 6 -16.227 -13.093 3.857 1.00 10.00 H new ATOM 0 HD3 PRO A 6 -15.617 -13.957 2.460 1.00 10.00 H new ATOM 92 N GLN A 7 -14.443 -15.992 7.490 1.00 10.00 N ATOM 93 CA GLN A 7 -14.737 -15.755 8.931 1.00 10.00 C ATOM 94 C GLN A 7 -13.624 -14.899 9.539 1.00 10.00 C ATOM 95 O GLN A 7 -12.501 -15.336 9.681 1.00 10.00 O ATOM 96 CB GLN A 7 -14.807 -17.096 9.666 1.00 10.00 C ATOM 97 CG GLN A 7 -16.180 -17.731 9.443 1.00 10.00 C ATOM 98 CD GLN A 7 -16.299 -18.998 10.291 1.00 10.00 C ATOM 99 OE1 GLN A 7 -15.307 -19.624 10.610 1.00 10.00 O ATOM 100 NE2 GLN A 7 -17.478 -19.406 10.673 1.00 10.00 N ATOM 0 H GLN A 7 -13.734 -16.701 7.303 1.00 10.00 H new ATOM 0 HA GLN A 7 -15.692 -15.238 9.029 1.00 10.00 H new ATOM 0 HB2 GLN A 7 -14.024 -17.762 9.304 1.00 10.00 H new ATOM 0 HB3 GLN A 7 -14.632 -16.948 10.732 1.00 10.00 H new ATOM 0 HG2 GLN A 7 -16.967 -17.026 9.711 1.00 10.00 H new ATOM 0 HG3 GLN A 7 -16.314 -17.972 8.389 1.00 10.00 H new ATOM 0 HE21 GLN A 7 -18.311 -18.881 10.406 1.00 10.00 H new ATOM 0 HE22 GLN A 7 -17.567 -20.250 11.239 1.00 10.00 H new ATOM 109 N ARG A 8 -13.927 -13.681 9.895 1.00 10.00 N ATOM 110 CA ARG A 8 -12.882 -12.800 10.488 1.00 10.00 C ATOM 111 C ARG A 8 -11.654 -12.791 9.578 1.00 10.00 C ATOM 112 O ARG A 8 -10.602 -13.285 9.930 1.00 10.00 O ATOM 113 CB ARG A 8 -12.491 -13.326 11.871 1.00 10.00 C ATOM 114 CG ARG A 8 -13.186 -12.495 12.950 1.00 10.00 C ATOM 115 CD ARG A 8 -12.474 -12.694 14.289 1.00 10.00 C ATOM 116 NE ARG A 8 -12.832 -14.028 14.848 1.00 10.00 N ATOM 117 CZ ARG A 8 -13.279 -14.124 16.070 1.00 10.00 C ATOM 118 NH1 ARG A 8 -14.517 -13.806 16.338 1.00 10.00 N ATOM 119 NH2 ARG A 8 -12.490 -14.537 17.023 1.00 10.00 N ATOM 0 H ARG A 8 -14.851 -13.259 9.801 1.00 10.00 H new ATOM 0 HA ARG A 8 -13.272 -11.787 10.586 1.00 10.00 H new ATOM 0 HB2 ARG A 8 -12.774 -14.374 11.966 1.00 10.00 H new ATOM 0 HB3 ARG A 8 -11.410 -13.275 11.998 1.00 10.00 H new ATOM 0 HG2 ARG A 8 -13.175 -11.441 12.674 1.00 10.00 H new ATOM 0 HG3 ARG A 8 -14.231 -12.792 13.035 1.00 10.00 H new ATOM 0 HD2 ARG A 8 -11.395 -12.622 14.153 1.00 10.00 H new ATOM 0 HD3 ARG A 8 -12.761 -11.907 14.986 1.00 10.00 H new ATOM 0 HE ARG A 8 -12.728 -14.866 14.276 1.00 10.00 H new ATOM 0 HH11 ARG A 8 -15.133 -13.483 15.592 1.00 10.00 H new ATOM 0 HH12 ARG A 8 -14.867 -13.881 17.293 1.00 10.00 H new ATOM 0 HH21 ARG A 8 -11.523 -14.785 16.813 1.00 10.00 H new ATOM 0 HH22 ARG A 8 -12.840 -14.612 17.978 1.00 10.00 H new ATOM 133 N LYS A 9 -11.784 -12.232 8.406 1.00 10.00 N ATOM 134 CA LYS A 9 -10.629 -12.190 7.466 1.00 10.00 C ATOM 135 C LYS A 9 -11.004 -11.349 6.243 1.00 10.00 C ATOM 136 O LYS A 9 -12.153 -11.288 5.852 1.00 10.00 O ATOM 137 CB LYS A 9 -10.282 -13.613 7.024 1.00 10.00 C ATOM 138 CG LYS A 9 -9.325 -13.563 5.832 1.00 10.00 C ATOM 139 CD LYS A 9 -8.271 -14.662 5.977 1.00 10.00 C ATOM 140 CE LYS A 9 -7.333 -14.634 4.770 1.00 10.00 C ATOM 141 NZ LYS A 9 -5.944 -14.937 5.214 1.00 10.00 N ATOM 0 H LYS A 9 -12.641 -11.802 8.059 1.00 10.00 H new ATOM 0 HA LYS A 9 -9.767 -11.745 7.963 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -9.823 -14.159 7.849 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -11.190 -14.151 6.752 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -9.878 -13.695 4.902 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -8.843 -12.587 5.780 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -7.703 -14.516 6.896 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -8.754 -15.636 6.052 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -7.656 -15.364 4.028 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -7.368 -13.655 4.291 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -5.305 -14.918 4.393 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -5.638 -14.225 5.907 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -5.917 -15.880 5.652 1.00 10.00 H new ATOM 155 N THR A 10 -10.049 -10.699 5.638 1.00 10.00 N ATOM 156 CA THR A 10 -10.360 -9.865 4.445 1.00 10.00 C ATOM 157 C THR A 10 -9.105 -9.709 3.585 1.00 10.00 C ATOM 158 O THR A 10 -7.999 -9.650 4.086 1.00 10.00 O ATOM 159 CB THR A 10 -10.840 -8.484 4.900 1.00 10.00 C ATOM 160 OG1 THR A 10 -11.575 -8.616 6.109 1.00 10.00 O ATOM 161 CG2 THR A 10 -11.733 -7.872 3.820 1.00 10.00 C ATOM 0 H THR A 10 -9.068 -10.710 5.918 1.00 10.00 H new ATOM 0 HA THR A 10 -11.142 -10.349 3.860 1.00 10.00 H new ATOM 0 HB THR A 10 -9.980 -7.835 5.067 1.00 10.00 H new ATOM 0 HG1 THR A 10 -11.882 -7.733 6.403 1.00 10.00 H new ATOM 0 HG21 THR A 10 -12.075 -6.889 4.144 1.00 10.00 H new ATOM 0 HG22 THR A 10 -11.167 -7.772 2.894 1.00 10.00 H new ATOM 0 HG23 THR A 10 -12.595 -8.518 3.651 1.00 10.00 H new ATOM 169 N LYS A 11 -9.269 -9.641 2.294 1.00 10.00 N ATOM 170 CA LYS A 11 -8.089 -9.488 1.398 1.00 10.00 C ATOM 171 C LYS A 11 -8.568 -9.261 -0.037 1.00 10.00 C ATOM 172 O LYS A 11 -8.183 -8.308 -0.686 1.00 10.00 O ATOM 173 CB LYS A 11 -7.234 -10.756 1.457 1.00 10.00 C ATOM 174 CG LYS A 11 -5.969 -10.556 0.619 1.00 10.00 C ATOM 175 CD LYS A 11 -5.102 -11.815 0.692 1.00 10.00 C ATOM 176 CE LYS A 11 -3.873 -11.641 -0.203 1.00 10.00 C ATOM 177 NZ LYS A 11 -3.015 -12.855 -0.111 1.00 10.00 N ATOM 0 H LYS A 11 -10.171 -9.685 1.819 1.00 10.00 H new ATOM 0 HA LYS A 11 -7.493 -8.635 1.723 1.00 10.00 H new ATOM 0 HB2 LYS A 11 -6.968 -10.980 2.490 1.00 10.00 H new ATOM 0 HB3 LYS A 11 -7.801 -11.608 1.082 1.00 10.00 H new ATOM 0 HG2 LYS A 11 -6.236 -10.345 -0.417 1.00 10.00 H new ATOM 0 HG3 LYS A 11 -5.410 -9.695 0.986 1.00 10.00 H new ATOM 0 HD2 LYS A 11 -4.793 -11.997 1.721 1.00 10.00 H new ATOM 0 HD3 LYS A 11 -5.677 -12.684 0.373 1.00 10.00 H new ATOM 0 HE2 LYS A 11 -4.182 -11.479 -1.236 1.00 10.00 H new ATOM 0 HE3 LYS A 11 -3.309 -10.760 0.103 1.00 10.00 H new ATOM 0 HZ1 LYS A 11 -2.180 -12.737 -0.719 1.00 10.00 H new ATOM 0 HZ2 LYS A 11 -2.710 -12.990 0.874 1.00 10.00 H new ATOM 0 HZ3 LYS A 11 -3.556 -13.687 -0.423 1.00 10.00 H new ATOM 191 N ARG A 12 -9.406 -10.127 -0.538 1.00 10.00 N ATOM 192 CA ARG A 12 -9.908 -9.957 -1.931 1.00 10.00 C ATOM 193 C ARG A 12 -8.735 -10.024 -2.909 1.00 10.00 C ATOM 194 O ARG A 12 -7.741 -9.343 -2.749 1.00 10.00 O ATOM 195 CB ARG A 12 -10.604 -8.600 -2.058 1.00 10.00 C ATOM 196 CG ARG A 12 -11.830 -8.564 -1.143 1.00 10.00 C ATOM 197 CD ARG A 12 -12.772 -9.714 -1.505 1.00 10.00 C ATOM 198 NE ARG A 12 -14.184 -9.244 -1.418 1.00 10.00 N ATOM 199 CZ ARG A 12 -15.163 -10.103 -1.503 1.00 10.00 C ATOM 200 NH1 ARG A 12 -15.251 -11.081 -0.643 1.00 10.00 N ATOM 201 NH2 ARG A 12 -16.057 -9.982 -2.446 1.00 10.00 N ATOM 0 H ARG A 12 -9.764 -10.944 -0.044 1.00 10.00 H new ATOM 0 HA ARG A 12 -10.617 -10.752 -2.162 1.00 10.00 H new ATOM 0 HB2 ARG A 12 -9.914 -7.800 -1.790 1.00 10.00 H new ATOM 0 HB3 ARG A 12 -10.904 -8.429 -3.092 1.00 10.00 H new ATOM 0 HG2 ARG A 12 -11.522 -8.647 -0.101 1.00 10.00 H new ATOM 0 HG3 ARG A 12 -12.347 -7.610 -1.247 1.00 10.00 H new ATOM 0 HD2 ARG A 12 -12.557 -10.071 -2.512 1.00 10.00 H new ATOM 0 HD3 ARG A 12 -12.615 -10.554 -0.829 1.00 10.00 H new ATOM 0 HE ARG A 12 -14.385 -8.252 -1.292 1.00 10.00 H new ATOM 0 HH11 ARG A 12 -14.554 -11.174 0.096 1.00 10.00 H new ATOM 0 HH12 ARG A 12 -16.016 -11.752 -0.710 1.00 10.00 H new ATOM 0 HH21 ARG A 12 -15.991 -9.216 -3.116 1.00 10.00 H new ATOM 0 HH22 ARG A 12 -16.822 -10.653 -2.513 1.00 10.00 H new ATOM 215 N ASN A 13 -8.841 -10.840 -3.922 1.00 10.00 N ATOM 216 CA ASN A 13 -7.731 -10.950 -4.911 1.00 10.00 C ATOM 217 C ASN A 13 -8.298 -10.844 -6.328 1.00 10.00 C ATOM 218 O ASN A 13 -9.340 -11.389 -6.633 1.00 10.00 O ATOM 219 CB ASN A 13 -7.027 -12.299 -4.742 1.00 10.00 C ATOM 220 CG ASN A 13 -8.043 -13.356 -4.306 1.00 10.00 C ATOM 221 OD1 ASN A 13 -9.057 -13.543 -4.948 1.00 10.00 O ATOM 222 ND2 ASN A 13 -7.811 -14.063 -3.233 1.00 10.00 N ATOM 0 H ASN A 13 -9.648 -11.435 -4.108 1.00 10.00 H new ATOM 0 HA ASN A 13 -7.016 -10.145 -4.745 1.00 10.00 H new ATOM 0 HB2 ASN A 13 -6.558 -12.596 -5.680 1.00 10.00 H new ATOM 0 HB3 ASN A 13 -6.232 -12.216 -4.000 1.00 10.00 H new ATOM 0 HD21 ASN A 13 -8.481 -14.772 -2.934 1.00 10.00 H new ATOM 0 HD22 ASN A 13 -6.960 -13.907 -2.693 1.00 10.00 H new ATOM 229 N THR A 14 -7.620 -10.145 -7.197 1.00 10.00 N ATOM 230 CA THR A 14 -8.119 -10.004 -8.595 1.00 10.00 C ATOM 231 C THR A 14 -7.038 -9.344 -9.455 1.00 10.00 C ATOM 232 O THR A 14 -6.780 -9.756 -10.569 1.00 10.00 O ATOM 233 CB THR A 14 -9.380 -9.134 -8.600 1.00 10.00 C ATOM 234 OG1 THR A 14 -9.954 -9.145 -9.900 1.00 10.00 O ATOM 235 CG2 THR A 14 -9.016 -7.701 -8.212 1.00 10.00 C ATOM 0 H THR A 14 -6.742 -9.665 -6.999 1.00 10.00 H new ATOM 0 HA THR A 14 -8.356 -10.988 -9.000 1.00 10.00 H new ATOM 0 HB THR A 14 -10.098 -9.529 -7.882 1.00 10.00 H new ATOM 0 HG1 THR A 14 -10.762 -8.590 -9.906 1.00 10.00 H new ATOM 0 HG21 THR A 14 -9.914 -7.084 -8.216 1.00 10.00 H new ATOM 0 HG22 THR A 14 -8.576 -7.695 -7.215 1.00 10.00 H new ATOM 0 HG23 THR A 14 -8.298 -7.301 -8.928 1.00 10.00 H new ATOM 243 N ASN A 15 -6.406 -8.324 -8.945 1.00 10.00 N ATOM 244 CA ASN A 15 -5.340 -7.636 -9.728 1.00 10.00 C ATOM 245 C ASN A 15 -4.518 -6.754 -8.786 1.00 10.00 C ATOM 246 O ASN A 15 -5.023 -5.817 -8.201 1.00 10.00 O ATOM 247 CB ASN A 15 -5.980 -6.768 -10.814 1.00 10.00 C ATOM 248 CG ASN A 15 -4.938 -6.439 -11.884 1.00 10.00 C ATOM 249 OD1 ASN A 15 -4.419 -7.322 -12.536 1.00 10.00 O ATOM 250 ND2 ASN A 15 -4.608 -5.194 -12.093 1.00 10.00 N ATOM 0 H ASN A 15 -6.581 -7.936 -8.018 1.00 10.00 H new ATOM 0 HA ASN A 15 -4.693 -8.377 -10.197 1.00 10.00 H new ATOM 0 HB2 ASN A 15 -6.824 -7.292 -11.262 1.00 10.00 H new ATOM 0 HB3 ASN A 15 -6.371 -5.849 -10.377 1.00 10.00 H new ATOM 0 HD21 ASN A 15 -3.914 -4.963 -12.804 1.00 10.00 H new ATOM 0 HD22 ASN A 15 -5.044 -4.452 -11.545 1.00 10.00 H new ATOM 257 N ARG A 16 -3.257 -7.051 -8.627 1.00 10.00 N ATOM 258 CA ARG A 16 -2.409 -6.257 -7.731 1.00 10.00 C ATOM 259 C ARG A 16 -1.921 -5.002 -8.452 1.00 10.00 C ATOM 260 O ARG A 16 -2.142 -4.812 -9.630 1.00 10.00 O ATOM 261 CB ARG A 16 -1.214 -7.114 -7.342 1.00 10.00 C ATOM 262 CG ARG A 16 -1.432 -7.689 -5.946 1.00 10.00 C ATOM 263 CD ARG A 16 -0.130 -8.311 -5.436 1.00 10.00 C ATOM 264 NE ARG A 16 -0.018 -9.707 -5.941 1.00 10.00 N ATOM 265 CZ ARG A 16 1.158 -10.247 -6.115 1.00 10.00 C ATOM 266 NH1 ARG A 16 2.212 -9.704 -5.569 1.00 10.00 N ATOM 267 NH2 ARG A 16 1.279 -11.329 -6.835 1.00 10.00 N ATOM 0 H ARG A 16 -2.783 -7.825 -9.093 1.00 10.00 H new ATOM 0 HA ARG A 16 -2.972 -5.955 -6.848 1.00 10.00 H new ATOM 0 HB2 ARG A 16 -1.082 -7.921 -8.063 1.00 10.00 H new ATOM 0 HB3 ARG A 16 -0.303 -6.516 -7.362 1.00 10.00 H new ATOM 0 HG2 ARG A 16 -1.762 -6.904 -5.266 1.00 10.00 H new ATOM 0 HG3 ARG A 16 -2.220 -8.441 -5.971 1.00 10.00 H new ATOM 0 HD2 ARG A 16 0.723 -7.722 -5.771 1.00 10.00 H new ATOM 0 HD3 ARG A 16 -0.113 -8.304 -4.346 1.00 10.00 H new ATOM 0 HE ARG A 16 -0.861 -10.242 -6.151 1.00 10.00 H new ATOM 0 HH11 ARG A 16 2.117 -8.858 -5.007 1.00 10.00 H new ATOM 0 HH12 ARG A 16 3.131 -10.125 -5.705 1.00 10.00 H new ATOM 0 HH21 ARG A 16 0.455 -11.753 -7.262 1.00 10.00 H new ATOM 0 HH22 ARG A 16 2.198 -11.751 -6.971 1.00 10.00 H new ATOM 281 N ARG A 17 -1.250 -4.169 -7.724 1.00 10.00 N ATOM 282 CA ARG A 17 -0.693 -2.896 -8.272 1.00 10.00 C ATOM 283 C ARG A 17 -0.395 -1.981 -7.086 1.00 10.00 C ATOM 284 O ARG A 17 0.734 -1.585 -6.878 1.00 10.00 O ATOM 285 CB ARG A 17 -1.687 -2.215 -9.215 1.00 10.00 C ATOM 286 CG ARG A 17 -1.020 -1.995 -10.572 1.00 10.00 C ATOM 287 CD ARG A 17 -1.040 -3.298 -11.374 1.00 10.00 C ATOM 288 NE ARG A 17 -0.442 -3.064 -12.718 1.00 10.00 N ATOM 289 CZ ARG A 17 -0.933 -3.671 -13.766 1.00 10.00 C ATOM 290 NH1 ARG A 17 -2.194 -3.527 -14.071 1.00 10.00 N ATOM 291 NH2 ARG A 17 -0.163 -4.420 -14.506 1.00 10.00 N ATOM 0 H ARG A 17 -1.053 -4.317 -6.734 1.00 10.00 H new ATOM 0 HA ARG A 17 0.209 -3.105 -8.847 1.00 10.00 H new ATOM 0 HB2 ARG A 17 -2.579 -2.831 -9.330 1.00 10.00 H new ATOM 0 HB3 ARG A 17 -2.010 -1.262 -8.796 1.00 10.00 H new ATOM 0 HG2 ARG A 17 -1.541 -1.211 -11.121 1.00 10.00 H new ATOM 0 HG3 ARG A 17 0.007 -1.658 -10.433 1.00 10.00 H new ATOM 0 HD2 ARG A 17 -0.482 -4.071 -10.846 1.00 10.00 H new ATOM 0 HD3 ARG A 17 -2.064 -3.658 -11.477 1.00 10.00 H new ATOM 0 HE ARG A 17 0.351 -2.430 -12.820 1.00 10.00 H new ATOM 0 HH11 ARG A 17 -2.795 -2.941 -13.492 1.00 10.00 H new ATOM 0 HH12 ARG A 17 -2.578 -4.000 -14.889 1.00 10.00 H new ATOM 0 HH21 ARG A 17 0.822 -4.532 -14.267 1.00 10.00 H new ATOM 0 HH22 ARG A 17 -0.546 -4.894 -15.324 1.00 10.00 H new ATOM 305 N PRO A 18 -1.416 -1.718 -6.306 1.00 10.00 N ATOM 306 CA PRO A 18 -1.288 -0.907 -5.087 1.00 10.00 C ATOM 307 C PRO A 18 -0.731 -1.797 -4.003 1.00 10.00 C ATOM 308 O PRO A 18 -0.140 -1.373 -3.030 1.00 10.00 O ATOM 309 CB PRO A 18 -2.721 -0.528 -4.751 1.00 10.00 C ATOM 310 CG PRO A 18 -3.623 -1.587 -5.423 1.00 10.00 C ATOM 311 CD PRO A 18 -2.793 -2.207 -6.559 1.00 10.00 C ATOM 0 HA PRO A 18 -0.642 -0.035 -5.194 1.00 10.00 H new ATOM 0 HB2 PRO A 18 -2.876 -0.514 -3.672 1.00 10.00 H new ATOM 0 HB3 PRO A 18 -2.955 0.471 -5.119 1.00 10.00 H new ATOM 0 HG2 PRO A 18 -3.929 -2.348 -4.705 1.00 10.00 H new ATOM 0 HG3 PRO A 18 -4.534 -1.131 -5.812 1.00 10.00 H new ATOM 0 HD2 PRO A 18 -2.840 -3.296 -6.539 1.00 10.00 H new ATOM 0 HD3 PRO A 18 -3.156 -1.890 -7.537 1.00 10.00 H new ATOM 319 N GLN A 19 -0.952 -3.049 -4.201 1.00 10.00 N ATOM 320 CA GLN A 19 -0.502 -4.090 -3.256 1.00 10.00 C ATOM 321 C GLN A 19 0.864 -4.579 -3.644 1.00 10.00 C ATOM 322 O GLN A 19 1.173 -5.755 -3.659 1.00 10.00 O ATOM 323 CB GLN A 19 -1.444 -5.223 -3.355 1.00 10.00 C ATOM 324 CG GLN A 19 -2.374 -5.223 -2.153 1.00 10.00 C ATOM 325 CD GLN A 19 -3.827 -5.281 -2.626 1.00 10.00 C ATOM 326 OE1 GLN A 19 -4.396 -6.347 -2.749 1.00 10.00 O ATOM 327 NE2 GLN A 19 -4.454 -4.169 -2.899 1.00 10.00 N ATOM 0 H GLN A 19 -1.448 -3.412 -5.015 1.00 10.00 H new ATOM 0 HA GLN A 19 -0.467 -3.684 -2.245 1.00 10.00 H new ATOM 0 HB2 GLN A 19 -2.023 -5.147 -4.275 1.00 10.00 H new ATOM 0 HB3 GLN A 19 -0.894 -6.163 -3.401 1.00 10.00 H new ATOM 0 HG2 GLN A 19 -2.156 -6.077 -1.512 1.00 10.00 H new ATOM 0 HG3 GLN A 19 -2.211 -4.326 -1.555 1.00 10.00 H new ATOM 0 HE21 GLN A 19 -3.975 -3.275 -2.795 1.00 10.00 H new ATOM 0 HE22 GLN A 19 -5.423 -4.195 -3.216 1.00 10.00 H new ATOM 336 N ASP A 20 1.654 -3.660 -3.953 1.00 10.00 N ATOM 337 CA ASP A 20 3.048 -3.934 -4.365 1.00 10.00 C ATOM 338 C ASP A 20 3.903 -2.755 -4.002 1.00 10.00 C ATOM 339 O ASP A 20 5.035 -2.894 -3.583 1.00 10.00 O ATOM 340 CB ASP A 20 3.100 -4.096 -5.869 1.00 10.00 C ATOM 341 CG ASP A 20 4.548 -4.031 -6.368 1.00 10.00 C ATOM 342 OD1 ASP A 20 5.369 -4.761 -5.838 1.00 10.00 O ATOM 343 OD2 ASP A 20 4.808 -3.254 -7.271 1.00 10.00 O ATOM 0 H ASP A 20 1.405 -2.671 -3.946 1.00 10.00 H new ATOM 0 HA ASP A 20 3.402 -4.838 -3.870 1.00 10.00 H new ATOM 0 HB2 ASP A 20 2.654 -5.049 -6.153 1.00 10.00 H new ATOM 0 HB3 ASP A 20 2.510 -3.313 -6.345 1.00 10.00 H new ATOM 348 N VAL A 21 3.391 -1.582 -4.190 1.00 10.00 N ATOM 349 CA VAL A 21 4.220 -0.419 -3.882 1.00 10.00 C ATOM 350 C VAL A 21 4.249 -0.184 -2.380 1.00 10.00 C ATOM 351 O VAL A 21 4.862 0.745 -1.892 1.00 10.00 O ATOM 352 CB VAL A 21 3.709 0.821 -4.617 1.00 10.00 C ATOM 353 CG1 VAL A 21 4.621 2.010 -4.312 1.00 10.00 C ATOM 354 CG2 VAL A 21 3.710 0.554 -6.125 1.00 10.00 C ATOM 0 H VAL A 21 2.452 -1.387 -4.537 1.00 10.00 H new ATOM 0 HA VAL A 21 5.237 -0.614 -4.223 1.00 10.00 H new ATOM 0 HB VAL A 21 2.696 1.047 -4.285 1.00 10.00 H new ATOM 0 HG11 VAL A 21 4.256 2.893 -4.837 1.00 10.00 H new ATOM 0 HG12 VAL A 21 4.624 2.201 -3.239 1.00 10.00 H new ATOM 0 HG13 VAL A 21 5.635 1.785 -4.643 1.00 10.00 H new ATOM 0 HG21 VAL A 21 3.346 1.437 -6.651 1.00 10.00 H new ATOM 0 HG22 VAL A 21 4.724 0.328 -6.454 1.00 10.00 H new ATOM 0 HG23 VAL A 21 3.060 -0.293 -6.345 1.00 10.00 H new ATOM 364 N LYS A 22 3.629 -1.047 -1.644 1.00 10.00 N ATOM 365 CA LYS A 22 3.642 -0.936 -0.191 1.00 10.00 C ATOM 366 C LYS A 22 4.600 -1.996 0.326 1.00 10.00 C ATOM 367 O LYS A 22 4.765 -2.196 1.511 1.00 10.00 O ATOM 368 CB LYS A 22 2.245 -1.225 0.321 1.00 10.00 C ATOM 369 CG LYS A 22 1.695 -2.419 -0.457 1.00 10.00 C ATOM 370 CD LYS A 22 0.750 -3.219 0.427 1.00 10.00 C ATOM 371 CE LYS A 22 -0.414 -2.333 0.871 1.00 10.00 C ATOM 372 NZ LYS A 22 -1.342 -3.125 1.728 1.00 10.00 N ATOM 0 H LYS A 22 3.103 -1.842 -2.008 1.00 10.00 H new ATOM 0 HA LYS A 22 3.951 0.056 0.137 1.00 10.00 H new ATOM 0 HB2 LYS A 22 2.268 -1.444 1.389 1.00 10.00 H new ATOM 0 HB3 LYS A 22 1.603 -0.355 0.188 1.00 10.00 H new ATOM 0 HG2 LYS A 22 1.170 -2.074 -1.348 1.00 10.00 H new ATOM 0 HG3 LYS A 22 2.515 -3.053 -0.796 1.00 10.00 H new ATOM 0 HD2 LYS A 22 0.373 -4.085 -0.117 1.00 10.00 H new ATOM 0 HD3 LYS A 22 1.285 -3.598 1.298 1.00 10.00 H new ATOM 0 HE2 LYS A 22 -0.039 -1.471 1.422 1.00 10.00 H new ATOM 0 HE3 LYS A 22 -0.945 -1.948 0.000 1.00 10.00 H new ATOM 0 HZ1 LYS A 22 -2.134 -2.523 2.031 1.00 10.00 H new ATOM 0 HZ2 LYS A 22 -1.709 -3.934 1.187 1.00 10.00 H new ATOM 0 HZ3 LYS A 22 -0.831 -3.471 2.565 1.00 10.00 H new ATOM 386 N PHE A 23 5.210 -2.697 -0.587 1.00 10.00 N ATOM 387 CA PHE A 23 6.132 -3.775 -0.230 1.00 10.00 C ATOM 388 C PHE A 23 5.454 -4.599 0.825 1.00 10.00 C ATOM 389 O PHE A 23 5.820 -4.639 1.980 1.00 10.00 O ATOM 390 CB PHE A 23 7.402 -3.149 0.176 1.00 10.00 C ATOM 391 CG PHE A 23 7.785 -2.261 -0.971 1.00 10.00 C ATOM 392 CD1 PHE A 23 8.490 -2.792 -2.052 1.00 10.00 C ATOM 393 CD2 PHE A 23 7.362 -0.932 -0.989 1.00 10.00 C ATOM 394 CE1 PHE A 23 8.779 -1.989 -3.156 1.00 10.00 C ATOM 395 CE2 PHE A 23 7.657 -0.123 -2.086 1.00 10.00 C ATOM 396 CZ PHE A 23 8.364 -0.651 -3.176 1.00 10.00 C ATOM 0 H PHE A 23 5.095 -2.553 -1.590 1.00 10.00 H new ATOM 0 HA PHE A 23 6.376 -4.455 -1.046 1.00 10.00 H new ATOM 0 HB2 PHE A 23 7.283 -2.576 1.095 1.00 10.00 H new ATOM 0 HB3 PHE A 23 8.169 -3.900 0.366 1.00 10.00 H new ATOM 0 HD1 PHE A 23 8.811 -3.823 -2.034 1.00 10.00 H new ATOM 0 HD2 PHE A 23 6.807 -0.530 -0.154 1.00 10.00 H new ATOM 0 HE1 PHE A 23 9.322 -2.399 -3.995 1.00 10.00 H new ATOM 0 HE2 PHE A 23 7.341 0.910 -2.096 1.00 10.00 H new ATOM 0 HZ PHE A 23 8.588 -0.028 -4.029 1.00 10.00 H new ATOM 406 N PRO A 24 4.426 -5.202 0.321 1.00 10.00 N ATOM 407 CA PRO A 24 3.507 -6.046 1.074 1.00 10.00 C ATOM 408 C PRO A 24 4.137 -7.417 1.328 1.00 10.00 C ATOM 409 O PRO A 24 4.544 -7.730 2.428 1.00 10.00 O ATOM 410 CB PRO A 24 2.311 -6.153 0.127 1.00 10.00 C ATOM 411 CG PRO A 24 2.832 -5.891 -1.296 1.00 10.00 C ATOM 412 CD PRO A 24 4.116 -5.092 -1.123 1.00 10.00 C ATOM 0 HA PRO A 24 3.243 -5.654 2.056 1.00 10.00 H new ATOM 0 HB2 PRO A 24 1.855 -7.141 0.194 1.00 10.00 H new ATOM 0 HB3 PRO A 24 1.542 -5.428 0.395 1.00 10.00 H new ATOM 0 HG2 PRO A 24 3.021 -6.827 -1.822 1.00 10.00 H new ATOM 0 HG3 PRO A 24 2.102 -5.336 -1.885 1.00 10.00 H new ATOM 0 HD2 PRO A 24 4.922 -5.498 -1.735 1.00 10.00 H new ATOM 0 HD3 PRO A 24 3.981 -4.053 -1.422 1.00 10.00 H new ATOM 420 N GLY A 25 4.231 -8.233 0.313 1.00 10.00 N ATOM 421 CA GLY A 25 4.846 -9.575 0.500 1.00 10.00 C ATOM 422 C GLY A 25 6.185 -9.412 1.217 1.00 10.00 C ATOM 423 O GLY A 25 6.676 -10.320 1.856 1.00 10.00 O ATOM 0 H GLY A 25 3.910 -8.028 -0.633 1.00 10.00 H new ATOM 0 HA2 GLY A 25 4.183 -10.215 1.082 1.00 10.00 H new ATOM 0 HA3 GLY A 25 4.992 -10.060 -0.465 1.00 10.00 H new ATOM 427 N GLY A 26 6.777 -8.251 1.120 1.00 10.00 N ATOM 428 CA GLY A 26 8.082 -8.021 1.799 1.00 10.00 C ATOM 429 C GLY A 26 7.960 -8.416 3.270 1.00 10.00 C ATOM 430 O GLY A 26 8.500 -9.416 3.700 1.00 10.00 O ATOM 0 H GLY A 26 6.412 -7.453 0.600 1.00 10.00 H new ATOM 0 HA2 GLY A 26 8.865 -8.607 1.317 1.00 10.00 H new ATOM 0 HA3 GLY A 26 8.370 -6.973 1.714 1.00 10.00 H new ATOM 434 N GLY A 27 7.253 -7.642 4.049 1.00 10.00 N ATOM 435 CA GLY A 27 7.103 -7.985 5.490 1.00 10.00 C ATOM 436 C GLY A 27 5.908 -7.237 6.086 1.00 10.00 C ATOM 437 O GLY A 27 4.799 -7.734 6.107 1.00 10.00 O ATOM 0 H GLY A 27 6.776 -6.791 3.751 1.00 10.00 H new ATOM 0 HA2 GLY A 27 6.963 -9.060 5.603 1.00 10.00 H new ATOM 0 HA3 GLY A 27 8.012 -7.723 6.031 1.00 10.00 H new ATOM 441 N GLN A 28 6.130 -6.053 6.585 1.00 10.00 N ATOM 442 CA GLN A 28 5.019 -5.278 7.199 1.00 10.00 C ATOM 443 C GLN A 28 4.514 -4.208 6.236 1.00 10.00 C ATOM 444 O GLN A 28 3.472 -3.627 6.439 1.00 10.00 O ATOM 445 CB GLN A 28 5.537 -4.601 8.460 1.00 10.00 C ATOM 446 CG GLN A 28 4.564 -4.890 9.581 1.00 10.00 C ATOM 447 CD GLN A 28 5.016 -4.182 10.860 1.00 10.00 C ATOM 448 OE1 GLN A 28 6.194 -3.954 11.058 1.00 10.00 O ATOM 449 NE2 GLN A 28 4.125 -3.822 11.743 1.00 10.00 N ATOM 0 H GLN A 28 7.038 -5.588 6.593 1.00 10.00 H new ATOM 0 HA GLN A 28 4.198 -5.956 7.433 1.00 10.00 H new ATOM 0 HB2 GLN A 28 6.530 -4.974 8.712 1.00 10.00 H new ATOM 0 HB3 GLN A 28 5.630 -3.526 8.304 1.00 10.00 H new ATOM 0 HG2 GLN A 28 3.565 -4.554 9.303 1.00 10.00 H new ATOM 0 HG3 GLN A 28 4.502 -5.965 9.752 1.00 10.00 H new ATOM 0 HE21 GLN A 28 3.137 -4.013 11.577 1.00 10.00 H new ATOM 0 HE22 GLN A 28 4.417 -3.350 12.599 1.00 10.00 H new ATOM 458 N ILE A 29 5.263 -3.947 5.206 1.00 10.00 N ATOM 459 CA ILE A 29 4.890 -2.903 4.188 1.00 10.00 C ATOM 460 C ILE A 29 5.320 -1.529 4.687 1.00 10.00 C ATOM 461 O ILE A 29 5.328 -0.565 3.948 1.00 10.00 O ATOM 462 CB ILE A 29 3.375 -2.907 3.881 1.00 10.00 C ATOM 463 CG1 ILE A 29 2.625 -1.922 4.796 1.00 10.00 C ATOM 464 CG2 ILE A 29 2.799 -4.314 4.062 1.00 10.00 C ATOM 465 CD1 ILE A 29 2.397 -0.606 4.050 1.00 10.00 C ATOM 0 H ILE A 29 6.145 -4.422 5.013 1.00 10.00 H new ATOM 0 HA ILE A 29 5.409 -3.140 3.259 1.00 10.00 H new ATOM 0 HB ILE A 29 3.242 -2.593 2.846 1.00 10.00 H new ATOM 0 HG12 ILE A 29 1.670 -2.349 5.103 1.00 10.00 H new ATOM 0 HG13 ILE A 29 3.200 -1.743 5.704 1.00 10.00 H new ATOM 0 HG21 ILE A 29 1.731 -4.301 3.842 1.00 10.00 H new ATOM 0 HG22 ILE A 29 3.301 -5.003 3.383 1.00 10.00 H new ATOM 0 HG23 ILE A 29 2.954 -4.641 5.090 1.00 10.00 H new ATOM 0 HD11 ILE A 29 1.866 0.092 4.697 1.00 10.00 H new ATOM 0 HD12 ILE A 29 3.358 -0.178 3.766 1.00 10.00 H new ATOM 0 HD13 ILE A 29 1.804 -0.793 3.155 1.00 10.00 H new ATOM 477 N VAL A 30 5.683 -1.428 5.926 1.00 10.00 N ATOM 478 CA VAL A 30 6.114 -0.115 6.452 1.00 10.00 C ATOM 479 C VAL A 30 7.629 -0.004 6.319 1.00 10.00 C ATOM 480 O VAL A 30 8.254 0.838 6.931 1.00 10.00 O ATOM 481 CB VAL A 30 5.729 -0.006 7.923 1.00 10.00 C ATOM 482 CG1 VAL A 30 6.113 1.377 8.453 1.00 10.00 C ATOM 483 CG2 VAL A 30 4.220 -0.212 8.074 1.00 10.00 C ATOM 0 H VAL A 30 5.700 -2.196 6.597 1.00 10.00 H new ATOM 0 HA VAL A 30 5.631 0.685 5.891 1.00 10.00 H new ATOM 0 HB VAL A 30 6.258 -0.770 8.493 1.00 10.00 H new ATOM 0 HG11 VAL A 30 5.837 1.453 9.505 1.00 10.00 H new ATOM 0 HG12 VAL A 30 7.188 1.521 8.349 1.00 10.00 H new ATOM 0 HG13 VAL A 30 5.587 2.144 7.884 1.00 10.00 H new ATOM 0 HG21 VAL A 30 3.946 -0.134 9.126 1.00 10.00 H new ATOM 0 HG22 VAL A 30 3.690 0.550 7.503 1.00 10.00 H new ATOM 0 HG23 VAL A 30 3.948 -1.199 7.701 1.00 10.00 H new ATOM 493 N GLY A 31 8.227 -0.845 5.524 1.00 10.00 N ATOM 494 CA GLY A 31 9.704 -0.769 5.367 1.00 10.00 C ATOM 495 C GLY A 31 10.111 -0.794 3.900 1.00 10.00 C ATOM 496 O GLY A 31 11.232 -0.470 3.561 1.00 10.00 O ATOM 0 H GLY A 31 7.763 -1.574 4.982 1.00 10.00 H new ATOM 0 HA2 GLY A 31 10.074 0.144 5.833 1.00 10.00 H new ATOM 0 HA3 GLY A 31 10.170 -1.605 5.889 1.00 10.00 H new ATOM 500 N GLY A 32 9.233 -1.159 3.018 1.00 10.00 N ATOM 501 CA GLY A 32 9.637 -1.169 1.586 1.00 10.00 C ATOM 502 C GLY A 32 9.374 0.196 0.979 1.00 10.00 C ATOM 503 O GLY A 32 10.042 0.629 0.061 1.00 10.00 O ATOM 0 H GLY A 32 8.274 -1.445 3.215 1.00 10.00 H new ATOM 0 HA2 GLY A 32 10.694 -1.422 1.497 1.00 10.00 H new ATOM 0 HA3 GLY A 32 9.080 -1.933 1.045 1.00 10.00 H new ATOM 507 N VAL A 33 8.465 0.907 1.554 1.00 10.00 N ATOM 508 CA VAL A 33 8.211 2.302 1.104 1.00 10.00 C ATOM 509 C VAL A 33 9.354 3.134 1.685 1.00 10.00 C ATOM 510 O VAL A 33 9.568 4.286 1.360 1.00 10.00 O ATOM 511 CB VAL A 33 6.874 2.780 1.672 1.00 10.00 C ATOM 512 CG1 VAL A 33 6.811 4.308 1.624 1.00 10.00 C ATOM 513 CG2 VAL A 33 5.728 2.196 0.842 1.00 10.00 C ATOM 0 H VAL A 33 7.877 0.587 2.324 1.00 10.00 H new ATOM 0 HA VAL A 33 8.165 2.385 0.018 1.00 10.00 H new ATOM 0 HB VAL A 33 6.782 2.447 2.706 1.00 10.00 H new ATOM 0 HG11 VAL A 33 5.857 4.646 2.029 1.00 10.00 H new ATOM 0 HG12 VAL A 33 7.625 4.725 2.217 1.00 10.00 H new ATOM 0 HG13 VAL A 33 6.906 4.644 0.591 1.00 10.00 H new ATOM 0 HG21 VAL A 33 4.775 2.537 1.247 1.00 10.00 H new ATOM 0 HG22 VAL A 33 5.822 2.527 -0.192 1.00 10.00 H new ATOM 0 HG23 VAL A 33 5.770 1.107 0.879 1.00 10.00 H new ATOM 523 N TYR A 34 10.082 2.497 2.552 1.00 10.00 N ATOM 524 CA TYR A 34 11.246 3.086 3.238 1.00 10.00 C ATOM 525 C TYR A 34 12.494 2.520 2.566 1.00 10.00 C ATOM 526 O TYR A 34 13.605 2.957 2.787 1.00 10.00 O ATOM 527 CB TYR A 34 11.129 2.667 4.704 1.00 10.00 C ATOM 528 CG TYR A 34 9.703 2.962 5.100 1.00 10.00 C ATOM 529 CD1 TYR A 34 8.677 2.086 4.721 1.00 10.00 C ATOM 530 CD2 TYR A 34 9.396 4.146 5.766 1.00 10.00 C ATOM 531 CE1 TYR A 34 7.352 2.394 5.009 1.00 10.00 C ATOM 532 CE2 TYR A 34 8.068 4.450 6.068 1.00 10.00 C ATOM 533 CZ TYR A 34 7.041 3.576 5.686 1.00 10.00 C ATOM 534 OH TYR A 34 5.727 3.886 5.973 1.00 10.00 O ATOM 0 H TYR A 34 9.899 1.531 2.824 1.00 10.00 H new ATOM 0 HA TYR A 34 11.297 4.173 3.183 1.00 10.00 H new ATOM 0 HB2 TYR A 34 11.359 1.609 4.828 1.00 10.00 H new ATOM 0 HB3 TYR A 34 11.831 3.221 5.327 1.00 10.00 H new ATOM 0 HD1 TYR A 34 8.916 1.169 4.204 1.00 10.00 H new ATOM 0 HD2 TYR A 34 10.185 4.828 6.048 1.00 10.00 H new ATOM 0 HE1 TYR A 34 6.563 1.720 4.709 1.00 10.00 H new ATOM 0 HE2 TYR A 34 7.831 5.361 6.597 1.00 10.00 H new ATOM 0 HH TYR A 34 5.689 4.742 6.448 1.00 10.00 H new ATOM 544 N LEU A 35 12.278 1.580 1.680 1.00 10.00 N ATOM 545 CA LEU A 35 13.372 0.986 0.891 1.00 10.00 C ATOM 546 C LEU A 35 13.477 1.819 -0.396 1.00 10.00 C ATOM 547 O LEU A 35 14.312 1.595 -1.248 1.00 10.00 O ATOM 548 CB LEU A 35 12.980 -0.485 0.600 1.00 10.00 C ATOM 549 CG LEU A 35 12.800 -0.742 -0.901 1.00 10.00 C ATOM 550 CD1 LEU A 35 14.167 -0.924 -1.565 1.00 10.00 C ATOM 551 CD2 LEU A 35 11.970 -2.013 -1.100 1.00 10.00 C ATOM 0 H LEU A 35 11.356 1.196 1.473 1.00 10.00 H new ATOM 0 HA LEU A 35 14.336 0.990 1.400 1.00 10.00 H new ATOM 0 HB2 LEU A 35 13.749 -1.150 0.993 1.00 10.00 H new ATOM 0 HB3 LEU A 35 12.054 -0.724 1.123 1.00 10.00 H new ATOM 0 HG LEU A 35 12.290 0.109 -1.353 1.00 10.00 H new ATOM 0 HD11 LEU A 35 14.032 -1.106 -2.631 1.00 10.00 H new ATOM 0 HD12 LEU A 35 14.763 -0.023 -1.423 1.00 10.00 H new ATOM 0 HD13 LEU A 35 14.680 -1.773 -1.114 1.00 10.00 H new ATOM 0 HD21 LEU A 35 11.840 -2.199 -2.166 1.00 10.00 H new ATOM 0 HD22 LEU A 35 12.485 -2.859 -0.644 1.00 10.00 H new ATOM 0 HD23 LEU A 35 10.994 -1.887 -0.632 1.00 10.00 H new ATOM 563 N LEU A 36 12.593 2.776 -0.527 1.00 10.00 N ATOM 564 CA LEU A 36 12.557 3.645 -1.731 1.00 10.00 C ATOM 565 C LEU A 36 13.574 4.796 -1.624 1.00 10.00 C ATOM 566 O LEU A 36 14.280 5.073 -2.573 1.00 10.00 O ATOM 567 CB LEU A 36 11.130 4.195 -1.886 1.00 10.00 C ATOM 568 CG LEU A 36 10.127 3.061 -1.672 1.00 10.00 C ATOM 569 CD1 LEU A 36 8.712 3.573 -1.944 1.00 10.00 C ATOM 570 CD2 LEU A 36 10.447 1.913 -2.632 1.00 10.00 C ATOM 0 H LEU A 36 11.880 2.992 0.170 1.00 10.00 H new ATOM 0 HA LEU A 36 12.831 3.059 -2.608 1.00 10.00 H new ATOM 0 HB2 LEU A 36 10.955 4.993 -1.164 1.00 10.00 H new ATOM 0 HB3 LEU A 36 11.000 4.629 -2.878 1.00 10.00 H new ATOM 0 HG LEU A 36 10.193 2.706 -0.644 1.00 10.00 H new ATOM 0 HD11 LEU A 36 7.997 2.765 -1.791 1.00 10.00 H new ATOM 0 HD12 LEU A 36 8.484 4.392 -1.262 1.00 10.00 H new ATOM 0 HD13 LEU A 36 8.645 3.928 -2.973 1.00 10.00 H new ATOM 0 HD21 LEU A 36 9.733 1.103 -2.481 1.00 10.00 H new ATOM 0 HD22 LEU A 36 10.380 2.269 -3.660 1.00 10.00 H new ATOM 0 HD23 LEU A 36 11.456 1.548 -2.439 1.00 10.00 H new ATOM 582 N PRO A 37 13.625 5.434 -0.481 1.00 10.00 N ATOM 583 CA PRO A 37 14.553 6.554 -0.239 1.00 10.00 C ATOM 584 C PRO A 37 15.949 6.016 0.083 1.00 10.00 C ATOM 585 O PRO A 37 16.933 6.414 -0.509 1.00 10.00 O ATOM 586 CB PRO A 37 13.952 7.259 0.978 1.00 10.00 C ATOM 587 CG PRO A 37 13.075 6.209 1.701 1.00 10.00 C ATOM 588 CD PRO A 37 12.777 5.101 0.671 1.00 10.00 C ATOM 0 HA PRO A 37 14.665 7.217 -1.097 1.00 10.00 H new ATOM 0 HB2 PRO A 37 14.736 7.631 1.638 1.00 10.00 H new ATOM 0 HB3 PRO A 37 13.356 8.120 0.674 1.00 10.00 H new ATOM 0 HG2 PRO A 37 13.594 5.802 2.569 1.00 10.00 H new ATOM 0 HG3 PRO A 37 12.151 6.659 2.064 1.00 10.00 H new ATOM 0 HD2 PRO A 37 13.016 4.115 1.068 1.00 10.00 H new ATOM 0 HD3 PRO A 37 11.722 5.087 0.397 1.00 10.00 H new ATOM 596 N ARG A 38 16.040 5.111 1.019 1.00 10.00 N ATOM 597 CA ARG A 38 17.364 4.541 1.386 1.00 10.00 C ATOM 598 C ARG A 38 17.671 3.344 0.484 1.00 10.00 C ATOM 599 O ARG A 38 18.209 2.345 0.921 1.00 10.00 O ATOM 600 CB ARG A 38 17.325 4.091 2.849 1.00 10.00 C ATOM 601 CG ARG A 38 16.499 2.808 2.978 1.00 10.00 C ATOM 602 CD ARG A 38 17.382 1.683 3.518 1.00 10.00 C ATOM 603 NE ARG A 38 16.563 0.774 4.370 1.00 10.00 N ATOM 604 CZ ARG A 38 17.114 0.145 5.373 1.00 10.00 C ATOM 605 NH1 ARG A 38 17.947 -0.835 5.150 1.00 10.00 N ATOM 606 NH2 ARG A 38 16.832 0.495 6.597 1.00 10.00 N ATOM 0 H ARG A 38 15.249 4.741 1.547 1.00 10.00 H new ATOM 0 HA ARG A 38 18.141 5.294 1.256 1.00 10.00 H new ATOM 0 HB2 ARG A 38 18.338 3.920 3.213 1.00 10.00 H new ATOM 0 HB3 ARG A 38 16.892 4.876 3.469 1.00 10.00 H new ATOM 0 HG2 ARG A 38 15.654 2.973 3.646 1.00 10.00 H new ATOM 0 HG3 ARG A 38 16.089 2.528 2.008 1.00 10.00 H new ATOM 0 HD2 ARG A 38 17.824 1.125 2.693 1.00 10.00 H new ATOM 0 HD3 ARG A 38 18.205 2.099 4.098 1.00 10.00 H new ATOM 0 HE ARG A 38 15.572 0.643 4.169 1.00 10.00 H new ATOM 0 HH11 ARG A 38 18.167 -1.109 4.193 1.00 10.00 H new ATOM 0 HH12 ARG A 38 18.378 -1.327 5.933 1.00 10.00 H new ATOM 0 HH21 ARG A 38 16.181 1.260 6.771 1.00 10.00 H new ATOM 0 HH22 ARG A 38 17.263 0.003 7.380 1.00 10.00 H new ATOM 620 N ARG A 39 17.334 3.437 -0.773 1.00 10.00 N ATOM 621 CA ARG A 39 17.602 2.317 -1.705 1.00 10.00 C ATOM 622 C ARG A 39 19.054 1.857 -1.529 1.00 10.00 C ATOM 623 O ARG A 39 19.396 0.726 -1.813 1.00 10.00 O ATOM 624 CB ARG A 39 17.358 2.809 -3.140 1.00 10.00 C ATOM 625 CG ARG A 39 18.185 1.990 -4.127 1.00 10.00 C ATOM 626 CD ARG A 39 17.504 1.998 -5.497 1.00 10.00 C ATOM 627 NE ARG A 39 17.965 0.821 -6.287 1.00 10.00 N ATOM 628 CZ ARG A 39 18.901 0.963 -7.185 1.00 10.00 C ATOM 629 NH1 ARG A 39 18.924 2.027 -7.941 1.00 10.00 N ATOM 630 NH2 ARG A 39 19.814 0.041 -7.328 1.00 10.00 N ATOM 0 H ARG A 39 16.881 4.249 -1.193 1.00 10.00 H new ATOM 0 HA ARG A 39 16.942 1.474 -1.499 1.00 10.00 H new ATOM 0 HB2 ARG A 39 16.299 2.726 -3.385 1.00 10.00 H new ATOM 0 HB3 ARG A 39 17.622 3.863 -3.220 1.00 10.00 H new ATOM 0 HG2 ARG A 39 19.190 2.404 -4.207 1.00 10.00 H new ATOM 0 HG3 ARG A 39 18.290 0.966 -3.768 1.00 10.00 H new ATOM 0 HD2 ARG A 39 16.421 1.968 -5.377 1.00 10.00 H new ATOM 0 HD3 ARG A 39 17.740 2.921 -6.027 1.00 10.00 H new ATOM 0 HE ARG A 39 17.549 -0.096 -6.126 1.00 10.00 H new ATOM 0 HH11 ARG A 39 18.210 2.747 -7.830 1.00 10.00 H new ATOM 0 HH12 ARG A 39 19.656 2.138 -8.643 1.00 10.00 H new ATOM 0 HH21 ARG A 39 19.796 -0.791 -6.738 1.00 10.00 H new ATOM 0 HH22 ARG A 39 20.546 0.152 -8.030 1.00 10.00 H new ATOM 644 N GLY A 40 19.908 2.724 -1.059 1.00 10.00 N ATOM 645 CA GLY A 40 21.332 2.334 -0.863 1.00 10.00 C ATOM 646 C GLY A 40 21.907 1.809 -2.182 1.00 10.00 C ATOM 647 O GLY A 40 21.697 0.664 -2.532 1.00 10.00 O ATOM 0 H GLY A 40 19.681 3.685 -0.802 1.00 10.00 H new ATOM 0 HA2 GLY A 40 21.910 3.191 -0.518 1.00 10.00 H new ATOM 0 HA3 GLY A 40 21.407 1.568 -0.091 1.00 10.00 H new ATOM 651 N PRO A 41 22.618 2.662 -2.876 1.00 10.00 N ATOM 652 CA PRO A 41 23.240 2.310 -4.164 1.00 10.00 C ATOM 653 C PRO A 41 24.506 1.479 -3.933 1.00 10.00 C ATOM 654 O PRO A 41 25.014 1.400 -2.832 1.00 10.00 O ATOM 655 CB PRO A 41 23.577 3.668 -4.784 1.00 10.00 C ATOM 656 CG PRO A 41 23.657 4.675 -3.612 1.00 10.00 C ATOM 657 CD PRO A 41 22.868 4.052 -2.444 1.00 10.00 C ATOM 0 HA PRO A 41 22.596 1.707 -4.804 1.00 10.00 H new ATOM 0 HB2 PRO A 41 24.523 3.624 -5.324 1.00 10.00 H new ATOM 0 HB3 PRO A 41 22.814 3.967 -5.502 1.00 10.00 H new ATOM 0 HG2 PRO A 41 24.693 4.857 -3.327 1.00 10.00 H new ATOM 0 HG3 PRO A 41 23.232 5.637 -3.898 1.00 10.00 H new ATOM 0 HD2 PRO A 41 23.439 4.084 -1.516 1.00 10.00 H new ATOM 0 HD3 PRO A 41 21.935 4.587 -2.263 1.00 10.00 H new ATOM 665 N ARG A 42 25.016 0.858 -4.960 1.00 10.00 N ATOM 666 CA ARG A 42 26.245 0.031 -4.795 1.00 10.00 C ATOM 667 C ARG A 42 27.454 0.793 -5.341 1.00 10.00 C ATOM 668 O ARG A 42 28.588 0.443 -5.081 1.00 10.00 O ATOM 669 CB ARG A 42 26.083 -1.282 -5.562 1.00 10.00 C ATOM 670 CG ARG A 42 25.513 -2.352 -4.628 1.00 10.00 C ATOM 671 CD ARG A 42 25.500 -3.702 -5.348 1.00 10.00 C ATOM 672 NE ARG A 42 26.581 -4.567 -4.799 1.00 10.00 N ATOM 673 CZ ARG A 42 26.417 -5.860 -4.744 1.00 10.00 C ATOM 674 NH1 ARG A 42 26.407 -6.565 -5.842 1.00 10.00 N ATOM 675 NH2 ARG A 42 26.263 -6.450 -3.589 1.00 10.00 N ATOM 0 H ARG A 42 24.636 0.887 -5.906 1.00 10.00 H new ATOM 0 HA ARG A 42 26.398 -0.181 -3.737 1.00 10.00 H new ATOM 0 HB2 ARG A 42 25.420 -1.138 -6.415 1.00 10.00 H new ATOM 0 HB3 ARG A 42 27.046 -1.605 -5.958 1.00 10.00 H new ATOM 0 HG2 ARG A 42 26.115 -2.417 -3.722 1.00 10.00 H new ATOM 0 HG3 ARG A 42 24.503 -2.082 -4.321 1.00 10.00 H new ATOM 0 HD2 ARG A 42 24.532 -4.186 -5.219 1.00 10.00 H new ATOM 0 HD3 ARG A 42 25.644 -3.557 -6.419 1.00 10.00 H new ATOM 0 HE ARG A 42 27.450 -4.148 -4.466 1.00 10.00 H new ATOM 0 HH11 ARG A 42 26.528 -6.105 -6.744 1.00 10.00 H new ATOM 0 HH12 ARG A 42 26.279 -7.576 -5.798 1.00 10.00 H new ATOM 0 HH21 ARG A 42 26.271 -5.900 -2.730 1.00 10.00 H new ATOM 0 HH22 ARG A 42 26.135 -7.461 -3.546 1.00 10.00 H new ATOM 689 N LEU A 43 27.223 1.832 -6.096 1.00 10.00 N ATOM 690 CA LEU A 43 28.363 2.611 -6.656 1.00 10.00 C ATOM 691 C LEU A 43 28.670 3.798 -5.739 1.00 10.00 C ATOM 692 O LEU A 43 28.484 4.942 -6.104 1.00 10.00 O ATOM 693 CB LEU A 43 27.994 3.125 -8.049 1.00 10.00 C ATOM 694 CG LEU A 43 28.744 2.312 -9.106 1.00 10.00 C ATOM 695 CD1 LEU A 43 27.852 1.175 -9.606 1.00 10.00 C ATOM 696 CD2 LEU A 43 29.114 3.222 -10.279 1.00 10.00 C ATOM 0 H LEU A 43 26.296 2.174 -6.349 1.00 10.00 H new ATOM 0 HA LEU A 43 29.241 1.970 -6.726 1.00 10.00 H new ATOM 0 HB2 LEU A 43 26.919 3.042 -8.206 1.00 10.00 H new ATOM 0 HB3 LEU A 43 28.249 4.181 -8.138 1.00 10.00 H new ATOM 0 HG LEU A 43 29.650 1.895 -8.667 1.00 10.00 H new ATOM 0 HD11 LEU A 43 28.387 0.597 -10.359 1.00 10.00 H new ATOM 0 HD12 LEU A 43 27.587 0.526 -8.771 1.00 10.00 H new ATOM 0 HD13 LEU A 43 26.945 1.590 -10.045 1.00 10.00 H new ATOM 0 HD21 LEU A 43 29.649 2.644 -11.033 1.00 10.00 H new ATOM 0 HD22 LEU A 43 28.207 3.639 -10.717 1.00 10.00 H new ATOM 0 HD23 LEU A 43 29.751 4.032 -9.924 1.00 10.00 H new ATOM 708 N GLY A 44 29.140 3.534 -4.550 1.00 10.00 N ATOM 709 CA GLY A 44 29.461 4.648 -3.612 1.00 10.00 C ATOM 710 C GLY A 44 30.305 4.114 -2.453 1.00 10.00 C ATOM 711 O GLY A 44 30.399 4.800 -1.449 1.00 10.00 O ATOM 712 OXT GLY A 44 30.845 3.028 -2.590 1.00 10.00 O ATOM 0 H GLY A 44 29.315 2.597 -4.188 1.00 10.00 H new ATOM 0 HA2 GLY A 44 30.002 5.435 -4.137 1.00 10.00 H new ATOM 0 HA3 GLY A 44 28.542 5.093 -3.231 1.00 10.00 H new TER 716 GLY A 44