USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 475 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 2 SER OG : rot -2:sc= 0.904 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 154:sc= -0.0601 (180deg=-0.428) USER MOD Single : A 12 LYS NZ :NH3+ 150:sc= -0.148 (180deg=-1.01) USER MOD Single : A 13 ASN : amide:sc= -2.52! C(o=-2.5!,f=-9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -163:sc= 0.582! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 110:sc= 0.0868 USER MOD Single : A 36 GLN : amide:sc= -18.6! C(o=-19!,f=-22!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -3.02! X(o=-3!,f=-3.2) USER MOD Single : A 55 ASN : amide:sc= -6.85! C(o=-6.8!,f=-6.1!) USER MOD Single : A 60 THR OG1 : rot -67:sc= 0.957 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 17:sc= 0.182 USER MOD ----------------------------------------------------------------- ATOM 11 N SER A 2 -8.594 -9.473 1.399 1.00 0.00 N ATOM 12 CA SER A 2 -8.940 -8.282 2.226 1.00 0.00 C ATOM 13 C SER A 2 -8.058 -7.104 1.814 1.00 0.00 C ATOM 14 O SER A 2 -7.804 -6.207 2.592 1.00 0.00 O ATOM 15 CB SER A 2 -8.702 -8.598 3.708 1.00 0.00 C ATOM 16 OG SER A 2 -8.343 -9.966 3.844 1.00 0.00 O ATOM 0 HA SER A 2 -9.989 -8.027 2.072 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.911 -7.961 4.105 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.602 -8.387 4.286 1.00 0.00 H new ATOM 0 HG SER A 2 -8.361 -10.398 2.965 1.00 0.00 H new ATOM 22 N ALA A 3 -7.584 -7.094 0.601 1.00 0.00 N ATOM 23 CA ALA A 3 -6.716 -5.970 0.164 1.00 0.00 C ATOM 24 C ALA A 3 -7.572 -4.742 -0.114 1.00 0.00 C ATOM 25 O ALA A 3 -7.158 -3.621 0.109 1.00 0.00 O ATOM 26 CB ALA A 3 -5.966 -6.358 -1.103 1.00 0.00 C ATOM 0 H ALA A 3 -7.759 -7.811 -0.103 1.00 0.00 H new ATOM 0 HA ALA A 3 -5.999 -5.746 0.954 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -5.331 -5.530 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -5.348 -7.234 -0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.681 -6.588 -1.893 1.00 0.00 H new ATOM 32 N LYS A 4 -8.773 -4.937 -0.572 1.00 0.00 N ATOM 33 CA LYS A 4 -9.653 -3.773 -0.829 1.00 0.00 C ATOM 34 C LYS A 4 -10.200 -3.320 0.524 1.00 0.00 C ATOM 35 O LYS A 4 -10.436 -2.151 0.759 1.00 0.00 O ATOM 36 CB LYS A 4 -10.789 -4.185 -1.773 1.00 0.00 C ATOM 37 CG LYS A 4 -11.931 -3.158 -1.710 1.00 0.00 C ATOM 38 CD LYS A 4 -12.563 -2.998 -3.100 1.00 0.00 C ATOM 39 CE LYS A 4 -11.738 -2.009 -3.933 1.00 0.00 C ATOM 40 NZ LYS A 4 -12.139 -0.616 -3.589 1.00 0.00 N ATOM 0 H LYS A 4 -9.181 -5.849 -0.778 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.110 -2.957 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -10.414 -4.260 -2.794 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.162 -5.171 -1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -12.685 -3.482 -0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -11.551 -2.198 -1.361 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.607 -3.964 -3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.589 -2.641 -3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.675 -2.151 -3.739 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.895 -2.192 -4.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.580 0.055 -4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.150 -0.485 -3.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -11.967 -0.445 -2.578 1.00 0.00 H new ATOM 54 N ARG A 5 -10.375 -4.253 1.422 1.00 0.00 N ATOM 55 CA ARG A 5 -10.877 -3.912 2.780 1.00 0.00 C ATOM 56 C ARG A 5 -9.798 -3.127 3.522 1.00 0.00 C ATOM 57 O ARG A 5 -10.039 -2.063 4.055 1.00 0.00 O ATOM 58 CB ARG A 5 -11.144 -5.205 3.544 1.00 0.00 C ATOM 59 CG ARG A 5 -11.935 -4.898 4.818 1.00 0.00 C ATOM 60 CD ARG A 5 -12.098 -6.176 5.644 1.00 0.00 C ATOM 61 NE ARG A 5 -12.455 -5.818 7.044 1.00 0.00 N ATOM 62 CZ ARG A 5 -12.926 -6.729 7.852 1.00 0.00 C ATOM 63 NH1 ARG A 5 -13.084 -7.954 7.431 1.00 0.00 N ATOM 64 NH2 ARG A 5 -13.240 -6.414 9.080 1.00 0.00 N ATOM 0 H ARG A 5 -10.189 -5.244 1.269 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.790 -3.321 2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.702 -5.901 2.917 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.201 -5.690 3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.418 -4.138 5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.913 -4.492 4.561 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.874 -6.807 5.209 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.173 -6.752 5.629 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.332 -4.860 7.372 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.840 -8.199 6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.452 -8.666 8.061 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -13.117 -5.456 9.408 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -13.608 -7.126 9.711 1.00 0.00 H new ATOM 78 N VAL A 6 -8.603 -3.654 3.554 1.00 0.00 N ATOM 79 CA VAL A 6 -7.497 -2.952 4.255 1.00 0.00 C ATOM 80 C VAL A 6 -7.301 -1.590 3.585 1.00 0.00 C ATOM 81 O VAL A 6 -7.087 -0.584 4.230 1.00 0.00 O ATOM 82 CB VAL A 6 -6.220 -3.822 4.165 1.00 0.00 C ATOM 83 CG1 VAL A 6 -5.299 -3.346 3.033 1.00 0.00 C ATOM 84 CG2 VAL A 6 -5.464 -3.777 5.501 1.00 0.00 C ATOM 0 H VAL A 6 -8.348 -4.543 3.123 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.724 -2.794 5.309 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.524 -4.846 3.948 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.411 -3.977 2.996 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.829 -3.409 2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.002 -2.313 3.215 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.566 -4.391 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.183 -2.748 5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.105 -4.160 6.295 1.00 0.00 H new ATOM 94 N PHE A 7 -7.400 -1.563 2.288 1.00 0.00 N ATOM 95 CA PHE A 7 -7.248 -0.274 1.562 1.00 0.00 C ATOM 96 C PHE A 7 -8.410 0.635 1.978 1.00 0.00 C ATOM 97 O PHE A 7 -8.220 1.789 2.303 1.00 0.00 O ATOM 98 CB PHE A 7 -7.250 -0.515 0.046 1.00 0.00 C ATOM 99 CG PHE A 7 -7.432 0.782 -0.727 1.00 0.00 C ATOM 100 CD1 PHE A 7 -7.269 2.038 -0.116 1.00 0.00 C ATOM 101 CD2 PHE A 7 -7.778 0.723 -2.081 1.00 0.00 C ATOM 102 CE1 PHE A 7 -7.459 3.206 -0.854 1.00 0.00 C ATOM 103 CE2 PHE A 7 -7.972 1.899 -2.806 1.00 0.00 C ATOM 104 CZ PHE A 7 -7.814 3.138 -2.189 1.00 0.00 C ATOM 0 H PHE A 7 -7.579 -2.376 1.699 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.299 0.200 1.813 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.313 -0.987 -0.249 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.051 -1.208 -0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.996 2.098 0.927 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.895 -0.235 -2.566 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.328 4.168 -0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.246 1.849 -3.850 1.00 0.00 H new ATOM 0 HZ PHE A 7 -7.969 4.046 -2.753 1.00 0.00 H new ATOM 114 N GLU A 8 -9.610 0.128 2.012 1.00 0.00 N ATOM 115 CA GLU A 8 -10.743 0.987 2.443 1.00 0.00 C ATOM 116 C GLU A 8 -10.346 1.652 3.767 1.00 0.00 C ATOM 117 O GLU A 8 -10.621 2.809 4.003 1.00 0.00 O ATOM 118 CB GLU A 8 -12.011 0.115 2.598 1.00 0.00 C ATOM 119 CG GLU A 8 -12.572 0.183 4.026 1.00 0.00 C ATOM 120 CD GLU A 8 -13.051 1.605 4.327 1.00 0.00 C ATOM 121 OE1 GLU A 8 -13.022 2.424 3.423 1.00 0.00 O ATOM 122 OE2 GLU A 8 -13.438 1.852 5.458 1.00 0.00 O ATOM 0 H GLU A 8 -9.852 -0.831 1.763 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.963 1.761 1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -12.771 0.448 1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.775 -0.919 2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.398 -0.520 4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.805 -0.112 4.742 1.00 0.00 H new ATOM 129 N LYS A 9 -9.705 0.914 4.629 1.00 0.00 N ATOM 130 CA LYS A 9 -9.286 1.485 5.935 1.00 0.00 C ATOM 131 C LYS A 9 -8.200 2.550 5.706 1.00 0.00 C ATOM 132 O LYS A 9 -8.156 3.552 6.391 1.00 0.00 O ATOM 133 CB LYS A 9 -8.763 0.348 6.832 1.00 0.00 C ATOM 134 CG LYS A 9 -7.766 0.877 7.874 1.00 0.00 C ATOM 135 CD LYS A 9 -8.437 1.918 8.780 1.00 0.00 C ATOM 136 CE LYS A 9 -9.096 1.221 9.972 1.00 0.00 C ATOM 137 NZ LYS A 9 -8.043 0.730 10.905 1.00 0.00 N ATOM 0 H LYS A 9 -9.453 -0.064 4.483 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.133 1.962 6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.600 -0.134 7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.281 -0.412 6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.388 0.051 8.477 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.908 1.323 7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.698 2.638 9.131 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.184 2.477 8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.761 1.913 10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.708 0.388 9.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.434 0.666 11.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.720 -0.210 10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.240 1.391 10.901 1.00 0.00 H new ATOM 151 N PHE A 10 -7.320 2.348 4.753 1.00 0.00 N ATOM 152 CA PHE A 10 -6.251 3.358 4.500 1.00 0.00 C ATOM 153 C PHE A 10 -6.733 4.412 3.517 1.00 0.00 C ATOM 154 O PHE A 10 -6.183 5.491 3.467 1.00 0.00 O ATOM 155 CB PHE A 10 -5.008 2.663 3.958 1.00 0.00 C ATOM 156 CG PHE A 10 -4.699 1.458 4.821 1.00 0.00 C ATOM 157 CD1 PHE A 10 -4.664 1.592 6.217 1.00 0.00 C ATOM 158 CD2 PHE A 10 -4.435 0.214 4.234 1.00 0.00 C ATOM 159 CE1 PHE A 10 -4.368 0.487 7.021 1.00 0.00 C ATOM 160 CE2 PHE A 10 -4.137 -0.892 5.044 1.00 0.00 C ATOM 161 CZ PHE A 10 -4.105 -0.754 6.436 1.00 0.00 C ATOM 0 H PHE A 10 -7.298 1.530 4.144 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.005 3.853 5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -5.170 2.354 2.925 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.163 3.351 3.956 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.866 2.551 6.672 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.461 0.106 3.160 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -4.343 0.593 8.095 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.932 -1.851 4.592 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.877 -1.607 7.058 1.00 0.00 H new ATOM 171 N ASP A 11 -7.749 4.138 2.738 1.00 0.00 N ATOM 172 CA ASP A 11 -8.227 5.180 1.789 1.00 0.00 C ATOM 173 C ASP A 11 -8.404 6.482 2.555 1.00 0.00 C ATOM 174 O ASP A 11 -9.492 6.904 2.894 1.00 0.00 O ATOM 175 CB ASP A 11 -9.551 4.746 1.151 1.00 0.00 C ATOM 176 CG ASP A 11 -10.653 4.714 2.213 1.00 0.00 C ATOM 177 OD1 ASP A 11 -10.340 4.921 3.373 1.00 0.00 O ATOM 178 OD2 ASP A 11 -11.794 4.484 1.847 1.00 0.00 O ATOM 0 H ASP A 11 -8.258 3.254 2.719 1.00 0.00 H new ATOM 0 HA ASP A 11 -7.500 5.320 0.989 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -9.823 5.436 0.352 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.441 3.761 0.698 1.00 0.00 H new ATOM 183 N LYS A 12 -7.313 7.117 2.806 1.00 0.00 N ATOM 184 CA LYS A 12 -7.312 8.402 3.530 1.00 0.00 C ATOM 185 C LYS A 12 -7.635 9.515 2.537 1.00 0.00 C ATOM 186 O LYS A 12 -7.919 10.639 2.901 1.00 0.00 O ATOM 187 CB LYS A 12 -5.919 8.564 4.122 1.00 0.00 C ATOM 188 CG LYS A 12 -5.336 9.937 3.805 1.00 0.00 C ATOM 189 CD LYS A 12 -3.989 10.053 4.512 1.00 0.00 C ATOM 190 CE LYS A 12 -2.971 10.735 3.594 1.00 0.00 C ATOM 191 NZ LYS A 12 -3.591 11.939 2.973 1.00 0.00 N ATOM 0 H LYS A 12 -6.387 6.789 2.530 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.055 8.440 4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.963 8.426 5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.262 7.788 3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.213 10.059 2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.011 10.724 4.140 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.101 10.625 5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.631 9.063 4.794 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.086 11.021 4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.642 10.042 2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.857 12.652 2.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.046 11.672 2.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.304 12.335 3.619 1.00 0.00 H new ATOM 205 N ASN A 13 -7.631 9.178 1.282 1.00 0.00 N ATOM 206 CA ASN A 13 -7.974 10.164 0.216 1.00 0.00 C ATOM 207 C ASN A 13 -9.228 9.667 -0.520 1.00 0.00 C ATOM 208 O ASN A 13 -9.561 10.143 -1.587 1.00 0.00 O ATOM 209 CB ASN A 13 -6.802 10.284 -0.769 1.00 0.00 C ATOM 210 CG ASN A 13 -6.062 8.946 -0.864 1.00 0.00 C ATOM 211 OD1 ASN A 13 -5.760 8.331 0.139 1.00 0.00 O ATOM 212 ND2 ASN A 13 -5.752 8.469 -2.038 1.00 0.00 N ATOM 0 H ASN A 13 -7.401 8.245 0.940 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.165 11.143 0.655 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.170 10.576 -1.752 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.117 11.066 -0.440 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.257 7.581 -2.113 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.005 8.984 -2.881 1.00 0.00 H new ATOM 219 N LYS A 14 -9.917 8.709 0.061 1.00 0.00 N ATOM 220 CA LYS A 14 -11.157 8.154 -0.577 1.00 0.00 C ATOM 221 C LYS A 14 -11.042 8.345 -2.087 1.00 0.00 C ATOM 222 O LYS A 14 -11.908 8.892 -2.740 1.00 0.00 O ATOM 223 CB LYS A 14 -12.382 8.896 -0.046 1.00 0.00 C ATOM 224 CG LYS A 14 -12.233 9.115 1.460 1.00 0.00 C ATOM 225 CD LYS A 14 -13.584 9.517 2.060 1.00 0.00 C ATOM 226 CE LYS A 14 -13.478 9.553 3.585 1.00 0.00 C ATOM 227 NZ LYS A 14 -14.847 9.553 4.176 1.00 0.00 N ATOM 0 H LYS A 14 -9.671 8.286 0.956 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.265 7.095 -0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.489 9.854 -0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.286 8.323 -0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.870 8.204 1.935 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.493 9.892 1.653 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.884 10.495 1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.354 8.808 1.756 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.916 8.690 3.942 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.933 10.442 3.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.777 9.577 5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.368 10.389 3.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.352 8.692 3.883 1.00 0.00 H new ATOM 241 N ASP A 15 -9.930 7.930 -2.610 1.00 0.00 N ATOM 242 CA ASP A 15 -9.664 8.107 -4.054 1.00 0.00 C ATOM 243 C ASP A 15 -9.694 6.774 -4.770 1.00 0.00 C ATOM 244 O ASP A 15 -9.969 6.723 -5.952 1.00 0.00 O ATOM 245 CB ASP A 15 -8.283 8.747 -4.241 1.00 0.00 C ATOM 246 CG ASP A 15 -8.380 10.263 -4.033 1.00 0.00 C ATOM 247 OD1 ASP A 15 -9.484 10.749 -3.850 1.00 0.00 O ATOM 248 OD2 ASP A 15 -7.346 10.910 -4.062 1.00 0.00 O ATOM 0 H ASP A 15 -9.184 7.469 -2.089 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.437 8.750 -4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.574 8.318 -3.532 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.905 8.531 -5.240 1.00 0.00 H new ATOM 253 N GLY A 16 -9.365 5.687 -4.122 1.00 0.00 N ATOM 254 CA GLY A 16 -9.333 4.402 -4.858 1.00 0.00 C ATOM 255 C GLY A 16 -7.881 4.175 -5.196 1.00 0.00 C ATOM 256 O GLY A 16 -7.524 3.317 -5.974 1.00 0.00 O ATOM 0 H GLY A 16 -9.122 5.638 -3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.727 3.589 -4.248 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.944 4.449 -5.759 1.00 0.00 H new ATOM 260 N LYS A 17 -7.045 4.944 -4.549 1.00 0.00 N ATOM 261 CA LYS A 17 -5.592 4.818 -4.730 1.00 0.00 C ATOM 262 C LYS A 17 -4.876 5.287 -3.481 1.00 0.00 C ATOM 263 O LYS A 17 -5.301 6.186 -2.782 1.00 0.00 O ATOM 264 CB LYS A 17 -5.089 5.654 -5.885 1.00 0.00 C ATOM 265 CG LYS A 17 -5.805 5.288 -7.194 1.00 0.00 C ATOM 266 CD LYS A 17 -6.991 6.232 -7.417 1.00 0.00 C ATOM 267 CE LYS A 17 -6.481 7.572 -7.961 1.00 0.00 C ATOM 268 NZ LYS A 17 -6.444 7.521 -9.449 1.00 0.00 N ATOM 0 H LYS A 17 -7.328 5.668 -3.889 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.389 3.767 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.244 6.711 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.015 5.507 -6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.110 5.358 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.152 4.256 -7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.697 5.787 -8.118 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.527 6.387 -6.481 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.131 8.382 -7.630 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.486 7.781 -7.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.098 8.429 -9.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.807 6.758 -9.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.401 7.340 -9.814 1.00 0.00 H new ATOM 282 N LEU A 18 -3.771 4.678 -3.232 1.00 0.00 N ATOM 283 CA LEU A 18 -2.939 5.032 -2.068 1.00 0.00 C ATOM 284 C LEU A 18 -1.609 5.553 -2.522 1.00 0.00 C ATOM 285 O LEU A 18 -1.145 5.254 -3.585 1.00 0.00 O ATOM 286 CB LEU A 18 -2.684 3.832 -1.242 1.00 0.00 C ATOM 287 CG LEU A 18 -3.510 3.903 0.013 1.00 0.00 C ATOM 288 CD1 LEU A 18 -4.985 3.806 -0.289 1.00 0.00 C ATOM 289 CD2 LEU A 18 -3.080 2.758 0.898 1.00 0.00 C ATOM 0 H LEU A 18 -3.395 3.923 -3.805 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.472 5.789 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.933 2.931 -1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.625 3.769 -0.990 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.352 4.862 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.551 3.861 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.278 4.629 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.193 2.858 -0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.658 2.775 1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.251 1.814 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.020 2.857 1.132 1.00 0.00 H new ATOM 301 N SER A 19 -0.986 6.291 -1.683 1.00 0.00 N ATOM 302 CA SER A 19 0.345 6.830 -1.995 1.00 0.00 C ATOM 303 C SER A 19 1.352 6.033 -1.200 1.00 0.00 C ATOM 304 O SER A 19 1.032 5.477 -0.168 1.00 0.00 O ATOM 305 CB SER A 19 0.411 8.279 -1.554 1.00 0.00 C ATOM 306 OG SER A 19 -0.781 8.948 -1.943 1.00 0.00 O ATOM 0 H SER A 19 -1.349 6.554 -0.767 1.00 0.00 H new ATOM 0 HA SER A 19 0.548 6.766 -3.064 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.536 8.336 -0.473 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.277 8.767 -2.001 1.00 0.00 H new ATOM 0 HG SER A 19 -0.739 9.884 -1.656 1.00 0.00 H new ATOM 312 N LEU A 20 2.563 5.982 -1.637 1.00 0.00 N ATOM 313 CA LEU A 20 3.562 5.238 -0.863 1.00 0.00 C ATOM 314 C LEU A 20 3.475 5.763 0.547 1.00 0.00 C ATOM 315 O LEU A 20 3.788 5.106 1.515 1.00 0.00 O ATOM 316 CB LEU A 20 4.928 5.536 -1.457 1.00 0.00 C ATOM 317 CG LEU A 20 5.994 4.607 -0.893 1.00 0.00 C ATOM 318 CD1 LEU A 20 6.677 5.276 0.283 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.392 3.278 -0.432 1.00 0.00 C ATOM 0 H LEU A 20 2.902 6.422 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 20 3.398 4.161 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.886 5.429 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.199 6.571 -1.249 1.00 0.00 H new ATOM 0 HG LEU A 20 6.714 4.402 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.440 4.611 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 20 7.143 6.205 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.940 5.494 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.181 2.639 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.651 3.464 0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.915 2.782 -1.277 1.00 0.00 H new ATOM 331 N ASP A 21 2.980 6.940 0.631 1.00 0.00 N ATOM 332 CA ASP A 21 2.769 7.580 1.944 1.00 0.00 C ATOM 333 C ASP A 21 1.707 6.788 2.715 1.00 0.00 C ATOM 334 O ASP A 21 1.873 6.519 3.889 1.00 0.00 O ATOM 335 CB ASP A 21 2.302 9.026 1.751 1.00 0.00 C ATOM 336 CG ASP A 21 3.056 9.656 0.580 1.00 0.00 C ATOM 337 OD1 ASP A 21 3.041 9.073 -0.492 1.00 0.00 O ATOM 338 OD2 ASP A 21 3.637 10.710 0.773 1.00 0.00 O ATOM 0 H ASP A 21 2.703 7.507 -0.171 1.00 0.00 H new ATOM 0 HA ASP A 21 3.704 7.587 2.505 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.229 9.050 1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.477 9.600 2.661 1.00 0.00 H new ATOM 343 N GLU A 22 0.600 6.411 2.096 1.00 0.00 N ATOM 344 CA GLU A 22 -0.428 5.660 2.855 1.00 0.00 C ATOM 345 C GLU A 22 0.024 4.215 3.068 1.00 0.00 C ATOM 346 O GLU A 22 -0.144 3.657 4.129 1.00 0.00 O ATOM 347 CB GLU A 22 -1.746 5.659 2.099 1.00 0.00 C ATOM 348 CG GLU A 22 -2.873 5.386 3.095 1.00 0.00 C ATOM 349 CD GLU A 22 -3.042 6.605 4.000 1.00 0.00 C ATOM 350 OE1 GLU A 22 -2.395 7.604 3.735 1.00 0.00 O ATOM 351 OE2 GLU A 22 -3.810 6.517 4.944 1.00 0.00 O ATOM 0 H GLU A 22 0.381 6.594 1.117 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.563 6.147 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.901 6.618 1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.736 4.897 1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.802 5.179 2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.643 4.503 3.691 1.00 0.00 H new ATOM 358 N PHE A 23 0.622 3.621 2.073 1.00 0.00 N ATOM 359 CA PHE A 23 1.118 2.235 2.203 1.00 0.00 C ATOM 360 C PHE A 23 2.318 2.260 3.155 1.00 0.00 C ATOM 361 O PHE A 23 2.652 1.273 3.773 1.00 0.00 O ATOM 362 CB PHE A 23 1.540 1.729 0.842 1.00 0.00 C ATOM 363 CG PHE A 23 2.168 0.358 0.949 1.00 0.00 C ATOM 364 CD1 PHE A 23 1.447 -0.706 1.501 1.00 0.00 C ATOM 365 CD2 PHE A 23 3.471 0.153 0.490 1.00 0.00 C ATOM 366 CE1 PHE A 23 2.031 -1.975 1.595 1.00 0.00 C ATOM 367 CE2 PHE A 23 4.057 -1.116 0.582 1.00 0.00 C ATOM 368 CZ PHE A 23 3.336 -2.179 1.137 1.00 0.00 C ATOM 0 H PHE A 23 0.788 4.050 1.163 1.00 0.00 H new ATOM 0 HA PHE A 23 0.344 1.575 2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.675 1.687 0.181 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.250 2.425 0.394 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.439 -0.548 1.855 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.028 0.974 0.063 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.474 -2.796 2.021 1.00 0.00 H new ATOM 0 HE2 PHE A 23 5.064 -1.274 0.225 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.788 -3.157 1.212 1.00 0.00 H new ATOM 378 N ARG A 24 2.947 3.408 3.299 1.00 0.00 N ATOM 379 CA ARG A 24 4.102 3.551 4.239 1.00 0.00 C ATOM 380 C ARG A 24 3.536 3.693 5.649 1.00 0.00 C ATOM 381 O ARG A 24 4.087 3.204 6.612 1.00 0.00 O ATOM 382 CB ARG A 24 4.898 4.800 3.843 1.00 0.00 C ATOM 383 CG ARG A 24 5.942 5.140 4.902 1.00 0.00 C ATOM 384 CD ARG A 24 7.081 4.123 4.842 1.00 0.00 C ATOM 385 NE ARG A 24 8.137 4.452 5.857 1.00 0.00 N ATOM 386 CZ ARG A 24 8.589 5.674 6.014 1.00 0.00 C ATOM 387 NH1 ARG A 24 8.263 6.621 5.180 1.00 0.00 N ATOM 388 NH2 ARG A 24 9.419 5.933 6.988 1.00 0.00 N ATOM 0 H ARG A 24 2.702 4.261 2.796 1.00 0.00 H new ATOM 0 HA ARG A 24 4.765 2.687 4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.388 4.634 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.219 5.643 3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.329 6.145 4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.486 5.133 5.892 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.692 3.122 5.026 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.518 4.117 3.843 1.00 0.00 H new ATOM 0 HE ARG A 24 8.514 3.705 6.441 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.648 6.417 4.392 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.622 7.566 5.315 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.712 5.188 7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.775 6.880 7.117 1.00 0.00 H new ATOM 402 N GLU A 25 2.388 4.296 5.749 1.00 0.00 N ATOM 403 CA GLU A 25 1.717 4.409 7.073 1.00 0.00 C ATOM 404 C GLU A 25 1.142 3.027 7.339 1.00 0.00 C ATOM 405 O GLU A 25 1.153 2.505 8.436 1.00 0.00 O ATOM 406 CB GLU A 25 0.596 5.450 7.017 1.00 0.00 C ATOM 407 CG GLU A 25 1.190 6.856 7.144 1.00 0.00 C ATOM 408 CD GLU A 25 1.808 7.030 8.533 1.00 0.00 C ATOM 409 OE1 GLU A 25 1.057 7.214 9.476 1.00 0.00 O ATOM 410 OE2 GLU A 25 3.023 6.974 8.629 1.00 0.00 O ATOM 0 H GLU A 25 1.883 4.717 4.970 1.00 0.00 H new ATOM 0 HA GLU A 25 2.405 4.727 7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.049 5.359 6.079 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.119 5.273 7.821 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.948 7.012 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.414 7.605 6.984 1.00 0.00 H new ATOM 417 N VAL A 26 0.678 2.436 6.282 1.00 0.00 N ATOM 418 CA VAL A 26 0.110 1.064 6.290 1.00 0.00 C ATOM 419 C VAL A 26 1.219 0.083 6.625 1.00 0.00 C ATOM 420 O VAL A 26 1.046 -0.875 7.354 1.00 0.00 O ATOM 421 CB VAL A 26 -0.315 0.807 4.844 1.00 0.00 C ATOM 422 CG1 VAL A 26 -0.119 -0.646 4.423 1.00 0.00 C ATOM 423 CG2 VAL A 26 -1.751 1.193 4.620 1.00 0.00 C ATOM 0 H VAL A 26 0.669 2.874 5.361 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.706 0.957 7.004 1.00 0.00 H new ATOM 0 HB VAL A 26 0.333 1.431 4.228 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.437 -0.771 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.934 -0.912 4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.714 -1.295 5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.023 0.998 3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.392 0.608 5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.881 2.253 4.836 1.00 0.00 H new ATOM 433 N ALA A 27 2.349 0.321 6.044 1.00 0.00 N ATOM 434 CA ALA A 27 3.506 -0.571 6.239 1.00 0.00 C ATOM 435 C ALA A 27 4.096 -0.315 7.620 1.00 0.00 C ATOM 436 O ALA A 27 4.662 -1.183 8.250 1.00 0.00 O ATOM 437 CB ALA A 27 4.549 -0.285 5.154 1.00 0.00 C ATOM 0 H ALA A 27 2.522 1.115 5.428 1.00 0.00 H new ATOM 0 HA ALA A 27 3.198 -1.614 6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.408 -0.942 5.293 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.111 -0.463 4.172 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.872 0.754 5.224 1.00 0.00 H new ATOM 443 N LEU A 28 3.954 0.887 8.080 1.00 0.00 N ATOM 444 CA LEU A 28 4.489 1.251 9.419 1.00 0.00 C ATOM 445 C LEU A 28 3.478 0.851 10.487 1.00 0.00 C ATOM 446 O LEU A 28 3.836 0.553 11.608 1.00 0.00 O ATOM 447 CB LEU A 28 4.703 2.764 9.486 1.00 0.00 C ATOM 448 CG LEU A 28 6.099 3.158 8.959 1.00 0.00 C ATOM 449 CD1 LEU A 28 6.587 2.188 7.871 1.00 0.00 C ATOM 450 CD2 LEU A 28 6.029 4.575 8.379 1.00 0.00 C ATOM 0 H LEU A 28 3.485 1.645 7.583 1.00 0.00 H new ATOM 0 HA LEU A 28 5.435 0.735 9.586 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.935 3.268 8.899 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.592 3.104 10.516 1.00 0.00 H new ATOM 0 HG LEU A 28 6.804 3.115 9.789 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.573 2.497 7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.646 1.180 8.282 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.888 2.198 7.035 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.011 4.863 8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.307 4.599 7.563 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.719 5.272 9.158 1.00 0.00 H new ATOM 462 N ALA A 29 2.217 0.866 10.162 1.00 0.00 N ATOM 463 CA ALA A 29 1.173 0.517 11.161 1.00 0.00 C ATOM 464 C ALA A 29 1.070 -1.000 11.381 1.00 0.00 C ATOM 465 O ALA A 29 1.225 -1.487 12.482 1.00 0.00 O ATOM 466 CB ALA A 29 -0.160 1.031 10.620 1.00 0.00 C ATOM 0 H ALA A 29 1.862 1.108 9.237 1.00 0.00 H new ATOM 0 HA ALA A 29 1.430 0.969 12.119 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.955 0.794 11.327 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.105 2.111 10.484 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.372 0.555 9.662 1.00 0.00 H new ATOM 472 N PHE A 30 0.762 -1.741 10.348 1.00 0.00 N ATOM 473 CA PHE A 30 0.594 -3.220 10.507 1.00 0.00 C ATOM 474 C PHE A 30 1.944 -3.937 10.474 1.00 0.00 C ATOM 475 O PHE A 30 2.216 -4.788 11.297 1.00 0.00 O ATOM 476 CB PHE A 30 -0.285 -3.750 9.371 1.00 0.00 C ATOM 477 CG PHE A 30 -0.770 -5.137 9.715 1.00 0.00 C ATOM 478 CD1 PHE A 30 0.075 -6.239 9.533 1.00 0.00 C ATOM 479 CD2 PHE A 30 -2.065 -5.322 10.215 1.00 0.00 C ATOM 480 CE1 PHE A 30 -0.375 -7.526 9.851 1.00 0.00 C ATOM 481 CE2 PHE A 30 -2.515 -6.610 10.531 1.00 0.00 C ATOM 482 CZ PHE A 30 -1.671 -7.712 10.351 1.00 0.00 C ATOM 0 H PHE A 30 0.619 -1.388 9.402 1.00 0.00 H new ATOM 0 HA PHE A 30 0.126 -3.412 11.473 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.134 -3.085 9.213 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.280 -3.772 8.439 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.074 -6.096 9.147 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.716 -4.472 10.357 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.277 -8.376 9.711 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.515 -6.753 10.914 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.018 -8.705 10.597 1.00 0.00 H new ATOM 492 N SER A 31 2.782 -3.616 9.528 1.00 0.00 N ATOM 493 CA SER A 31 4.111 -4.291 9.436 1.00 0.00 C ATOM 494 C SER A 31 5.217 -3.273 9.731 1.00 0.00 C ATOM 495 O SER A 31 5.971 -2.899 8.857 1.00 0.00 O ATOM 496 CB SER A 31 4.290 -4.846 8.021 1.00 0.00 C ATOM 497 OG SER A 31 5.673 -4.868 7.692 1.00 0.00 O ATOM 0 H SER A 31 2.605 -2.913 8.811 1.00 0.00 H new ATOM 0 HA SER A 31 4.166 -5.105 10.159 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.874 -5.852 7.958 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.745 -4.230 7.306 1.00 0.00 H new ATOM 0 HG SER A 31 5.777 -4.958 6.722 1.00 0.00 H new ATOM 503 N PRO A 32 5.307 -2.822 10.957 1.00 0.00 N ATOM 504 CA PRO A 32 6.328 -1.818 11.361 1.00 0.00 C ATOM 505 C PRO A 32 7.738 -2.222 10.926 1.00 0.00 C ATOM 506 O PRO A 32 8.626 -1.398 10.834 1.00 0.00 O ATOM 507 CB PRO A 32 6.226 -1.751 12.896 1.00 0.00 C ATOM 508 CG PRO A 32 5.307 -2.860 13.307 1.00 0.00 C ATOM 509 CD PRO A 32 4.458 -3.212 12.087 1.00 0.00 C ATOM 0 HA PRO A 32 6.146 -0.854 10.886 1.00 0.00 H new ATOM 0 HB2 PRO A 32 7.207 -1.869 13.356 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.837 -0.785 13.218 1.00 0.00 H new ATOM 0 HG2 PRO A 32 5.875 -3.727 13.644 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.676 -2.549 14.139 1.00 0.00 H new ATOM 0 HD2 PRO A 32 4.216 -4.274 12.059 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.513 -2.669 12.085 1.00 0.00 H new ATOM 517 N TYR A 33 7.963 -3.484 10.673 1.00 0.00 N ATOM 518 CA TYR A 33 9.323 -3.925 10.266 1.00 0.00 C ATOM 519 C TYR A 33 9.542 -3.695 8.766 1.00 0.00 C ATOM 520 O TYR A 33 10.609 -3.962 8.250 1.00 0.00 O ATOM 521 CB TYR A 33 9.482 -5.414 10.579 1.00 0.00 C ATOM 522 CG TYR A 33 8.834 -5.718 11.910 1.00 0.00 C ATOM 523 CD1 TYR A 33 9.506 -5.418 13.100 1.00 0.00 C ATOM 524 CD2 TYR A 33 7.561 -6.300 11.952 1.00 0.00 C ATOM 525 CE1 TYR A 33 8.906 -5.699 14.333 1.00 0.00 C ATOM 526 CE2 TYR A 33 6.962 -6.581 13.185 1.00 0.00 C ATOM 527 CZ TYR A 33 7.634 -6.280 14.376 1.00 0.00 C ATOM 528 OH TYR A 33 7.042 -6.557 15.592 1.00 0.00 O ATOM 0 H TYR A 33 7.264 -4.225 10.731 1.00 0.00 H new ATOM 0 HA TYR A 33 10.061 -3.343 10.818 1.00 0.00 H new ATOM 0 HB2 TYR A 33 9.023 -6.013 9.793 1.00 0.00 H new ATOM 0 HB3 TYR A 33 10.539 -5.680 10.607 1.00 0.00 H new ATOM 0 HD1 TYR A 33 10.488 -4.969 13.067 1.00 0.00 H new ATOM 0 HD2 TYR A 33 7.042 -6.532 11.034 1.00 0.00 H new ATOM 0 HE1 TYR A 33 9.425 -5.467 15.251 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.981 -7.030 13.218 1.00 0.00 H new ATOM 0 HH TYR A 33 6.160 -6.958 15.443 1.00 0.00 H new ATOM 538 N PHE A 34 8.563 -3.198 8.051 1.00 0.00 N ATOM 539 CA PHE A 34 8.791 -2.970 6.593 1.00 0.00 C ATOM 540 C PHE A 34 9.834 -1.893 6.438 1.00 0.00 C ATOM 541 O PHE A 34 9.687 -0.788 6.920 1.00 0.00 O ATOM 542 CB PHE A 34 7.502 -2.512 5.871 1.00 0.00 C ATOM 543 CG PHE A 34 7.062 -3.541 4.852 1.00 0.00 C ATOM 544 CD1 PHE A 34 7.975 -4.034 3.910 1.00 0.00 C ATOM 545 CD2 PHE A 34 5.740 -4.000 4.849 1.00 0.00 C ATOM 546 CE1 PHE A 34 7.564 -4.986 2.969 1.00 0.00 C ATOM 547 CE2 PHE A 34 5.329 -4.951 3.906 1.00 0.00 C ATOM 548 CZ PHE A 34 6.242 -5.446 2.968 1.00 0.00 C ATOM 0 H PHE A 34 7.639 -2.946 8.403 1.00 0.00 H new ATOM 0 HA PHE A 34 9.113 -3.911 6.147 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.708 -2.354 6.601 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.677 -1.556 5.377 1.00 0.00 H new ATOM 0 HD1 PHE A 34 8.995 -3.680 3.910 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.036 -3.621 5.575 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.268 -5.366 2.243 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.308 -5.302 3.903 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.927 -6.183 2.244 1.00 0.00 H new ATOM 558 N THR A 35 10.891 -2.205 5.764 1.00 0.00 N ATOM 559 CA THR A 35 11.936 -1.193 5.580 1.00 0.00 C ATOM 560 C THR A 35 11.519 -0.245 4.479 1.00 0.00 C ATOM 561 O THR A 35 10.923 -0.626 3.492 1.00 0.00 O ATOM 562 CB THR A 35 13.256 -1.865 5.236 1.00 0.00 C ATOM 563 OG1 THR A 35 13.053 -3.261 5.066 1.00 0.00 O ATOM 564 CG2 THR A 35 14.206 -1.617 6.389 1.00 0.00 C ATOM 0 H THR A 35 11.073 -3.113 5.336 1.00 0.00 H new ATOM 0 HA THR A 35 12.070 -0.630 6.504 1.00 0.00 H new ATOM 0 HB THR A 35 13.666 -1.463 4.309 1.00 0.00 H new ATOM 0 HG1 THR A 35 13.151 -3.493 4.119 1.00 0.00 H new ATOM 0 HG21 THR A 35 15.167 -2.086 6.176 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.347 -0.544 6.520 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.789 -2.042 7.302 1.00 0.00 H new ATOM 572 N GLN A 36 11.820 0.991 4.659 1.00 0.00 N ATOM 573 CA GLN A 36 11.441 2.003 3.663 1.00 0.00 C ATOM 574 C GLN A 36 11.911 1.587 2.272 1.00 0.00 C ATOM 575 O GLN A 36 11.312 1.938 1.283 1.00 0.00 O ATOM 576 CB GLN A 36 12.106 3.304 4.058 1.00 0.00 C ATOM 577 CG GLN A 36 11.591 4.450 3.181 1.00 0.00 C ATOM 578 CD GLN A 36 10.064 4.448 3.096 1.00 0.00 C ATOM 579 OE1 GLN A 36 9.419 5.309 3.653 1.00 0.00 O ATOM 580 NE2 GLN A 36 9.455 3.527 2.404 1.00 0.00 N ATOM 0 H GLN A 36 12.323 1.352 5.470 1.00 0.00 H new ATOM 0 HA GLN A 36 10.357 2.113 3.634 1.00 0.00 H new ATOM 0 HB2 GLN A 36 11.904 3.520 5.107 1.00 0.00 H new ATOM 0 HB3 GLN A 36 13.187 3.214 3.954 1.00 0.00 H new ATOM 0 HG2 GLN A 36 11.933 5.402 3.587 1.00 0.00 H new ATOM 0 HG3 GLN A 36 12.012 4.361 2.180 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.996 2.801 1.934 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.438 3.532 2.332 1.00 0.00 H new ATOM 589 N GLU A 37 12.974 0.840 2.199 1.00 0.00 N ATOM 590 CA GLU A 37 13.485 0.400 0.868 1.00 0.00 C ATOM 591 C GLU A 37 12.581 -0.704 0.314 1.00 0.00 C ATOM 592 O GLU A 37 12.309 -0.757 -0.867 1.00 0.00 O ATOM 593 CB GLU A 37 14.914 -0.130 1.016 1.00 0.00 C ATOM 594 CG GLU A 37 15.523 -0.356 -0.370 1.00 0.00 C ATOM 595 CD GLU A 37 15.837 0.995 -1.017 1.00 0.00 C ATOM 596 OE1 GLU A 37 16.493 1.798 -0.377 1.00 0.00 O ATOM 597 OE2 GLU A 37 15.414 1.200 -2.143 1.00 0.00 O ATOM 0 H GLU A 37 13.513 0.514 3.001 1.00 0.00 H new ATOM 0 HA GLU A 37 13.485 1.246 0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.520 0.580 1.579 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.910 -1.063 1.579 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.432 -0.951 -0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.830 -0.919 -0.996 1.00 0.00 H new ATOM 604 N ASP A 38 12.103 -1.582 1.151 1.00 0.00 N ATOM 605 CA ASP A 38 11.209 -2.663 0.652 1.00 0.00 C ATOM 606 C ASP A 38 9.840 -2.057 0.330 1.00 0.00 C ATOM 607 O ASP A 38 9.173 -2.455 -0.604 1.00 0.00 O ATOM 608 CB ASP A 38 11.059 -3.739 1.726 1.00 0.00 C ATOM 609 CG ASP A 38 12.334 -4.583 1.786 1.00 0.00 C ATOM 610 OD1 ASP A 38 13.406 -4.002 1.792 1.00 0.00 O ATOM 611 OD2 ASP A 38 12.215 -5.796 1.822 1.00 0.00 O ATOM 0 H ASP A 38 12.291 -1.598 2.153 1.00 0.00 H new ATOM 0 HA ASP A 38 11.633 -3.115 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.871 -3.277 2.695 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.201 -4.373 1.503 1.00 0.00 H new ATOM 616 N ILE A 39 9.424 -1.089 1.101 1.00 0.00 N ATOM 617 CA ILE A 39 8.106 -0.436 0.858 1.00 0.00 C ATOM 618 C ILE A 39 8.180 0.378 -0.432 1.00 0.00 C ATOM 619 O ILE A 39 7.305 0.329 -1.265 1.00 0.00 O ATOM 620 CB ILE A 39 7.796 0.515 2.021 1.00 0.00 C ATOM 621 CG1 ILE A 39 7.931 -0.225 3.350 1.00 0.00 C ATOM 622 CG2 ILE A 39 6.367 1.047 1.904 1.00 0.00 C ATOM 623 CD1 ILE A 39 8.156 0.786 4.488 1.00 0.00 C ATOM 0 H ILE A 39 9.946 -0.720 1.896 1.00 0.00 H new ATOM 0 HA ILE A 39 7.329 -1.196 0.777 1.00 0.00 H new ATOM 0 HB ILE A 39 8.502 1.345 1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.032 -0.811 3.544 1.00 0.00 H new ATOM 0 HG13 ILE A 39 8.764 -0.926 3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.160 1.721 2.736 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.256 1.587 0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.665 0.213 1.929 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.252 0.253 5.434 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.067 1.352 4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.308 1.469 4.540 1.00 0.00 H new ATOM 635 N VAL A 40 9.223 1.143 -0.577 1.00 0.00 N ATOM 636 CA VAL A 40 9.386 1.984 -1.786 1.00 0.00 C ATOM 637 C VAL A 40 9.821 1.144 -2.968 1.00 0.00 C ATOM 638 O VAL A 40 9.348 1.332 -4.062 1.00 0.00 O ATOM 639 CB VAL A 40 10.419 3.039 -1.497 1.00 0.00 C ATOM 640 CG1 VAL A 40 9.916 3.870 -0.319 1.00 0.00 C ATOM 641 CG2 VAL A 40 11.743 2.366 -1.174 1.00 0.00 C ATOM 0 H VAL A 40 9.979 1.220 0.103 1.00 0.00 H new ATOM 0 HA VAL A 40 8.433 2.449 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 40 10.576 3.690 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 40 10.644 4.646 -0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.964 4.333 -0.580 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.780 3.225 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 40 12.496 3.126 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 40 11.622 1.724 -0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 40 12.063 1.765 -2.025 1.00 0.00 H new ATOM 651 N LYS A 41 10.688 0.193 -2.780 1.00 0.00 N ATOM 652 CA LYS A 41 11.061 -0.635 -3.945 1.00 0.00 C ATOM 653 C LYS A 41 9.768 -1.262 -4.429 1.00 0.00 C ATOM 654 O LYS A 41 9.366 -1.110 -5.562 1.00 0.00 O ATOM 655 CB LYS A 41 12.037 -1.736 -3.517 1.00 0.00 C ATOM 656 CG LYS A 41 12.513 -2.510 -4.750 1.00 0.00 C ATOM 657 CD LYS A 41 13.783 -3.292 -4.401 1.00 0.00 C ATOM 658 CE LYS A 41 14.096 -4.290 -5.519 1.00 0.00 C ATOM 659 NZ LYS A 41 13.286 -5.526 -5.322 1.00 0.00 N ATOM 0 H LYS A 41 11.141 -0.040 -1.896 1.00 0.00 H new ATOM 0 HA LYS A 41 11.546 -0.043 -4.721 1.00 0.00 H new ATOM 0 HB2 LYS A 41 12.890 -1.298 -2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.551 -2.414 -2.815 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.733 -3.193 -5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.711 -1.821 -5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 41 14.619 -2.606 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.649 -3.819 -3.456 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.873 -3.847 -6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 41 15.158 -4.534 -5.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.498 -6.205 -6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.520 -5.951 -4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.274 -5.286 -5.345 1.00 0.00 H new ATOM 673 N PHE A 42 9.116 -1.964 -3.549 1.00 0.00 N ATOM 674 CA PHE A 42 7.838 -2.629 -3.891 1.00 0.00 C ATOM 675 C PHE A 42 6.781 -1.605 -4.326 1.00 0.00 C ATOM 676 O PHE A 42 6.170 -1.753 -5.366 1.00 0.00 O ATOM 677 CB PHE A 42 7.354 -3.377 -2.653 1.00 0.00 C ATOM 678 CG PHE A 42 6.113 -4.159 -2.989 1.00 0.00 C ATOM 679 CD1 PHE A 42 6.142 -5.110 -4.016 1.00 0.00 C ATOM 680 CD2 PHE A 42 4.934 -3.937 -2.271 1.00 0.00 C ATOM 681 CE1 PHE A 42 4.993 -5.841 -4.323 1.00 0.00 C ATOM 682 CE2 PHE A 42 3.785 -4.666 -2.578 1.00 0.00 C ATOM 683 CZ PHE A 42 3.816 -5.620 -3.605 1.00 0.00 C ATOM 0 H PHE A 42 9.424 -2.106 -2.587 1.00 0.00 H new ATOM 0 HA PHE A 42 7.995 -3.315 -4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 42 8.133 -4.049 -2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 42 7.145 -2.672 -1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.053 -5.278 -4.571 1.00 0.00 H new ATOM 0 HD2 PHE A 42 4.913 -3.202 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.014 -6.576 -5.114 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.873 -4.496 -2.025 1.00 0.00 H new ATOM 0 HZ PHE A 42 2.927 -6.186 -3.841 1.00 0.00 H new ATOM 693 N PHE A 43 6.551 -0.567 -3.560 1.00 0.00 N ATOM 694 CA PHE A 43 5.527 0.432 -3.981 1.00 0.00 C ATOM 695 C PHE A 43 5.947 1.010 -5.326 1.00 0.00 C ATOM 696 O PHE A 43 5.192 1.044 -6.277 1.00 0.00 O ATOM 697 CB PHE A 43 5.481 1.533 -2.940 1.00 0.00 C ATOM 698 CG PHE A 43 4.618 2.679 -3.411 1.00 0.00 C ATOM 699 CD1 PHE A 43 5.095 3.579 -4.366 1.00 0.00 C ATOM 700 CD2 PHE A 43 3.356 2.869 -2.848 1.00 0.00 C ATOM 701 CE1 PHE A 43 4.304 4.656 -4.759 1.00 0.00 C ATOM 702 CE2 PHE A 43 2.573 3.954 -3.236 1.00 0.00 C ATOM 703 CZ PHE A 43 3.046 4.846 -4.195 1.00 0.00 C ATOM 0 H PHE A 43 7.021 -0.372 -2.676 1.00 0.00 H new ATOM 0 HA PHE A 43 4.543 -0.028 -4.072 1.00 0.00 H new ATOM 0 HB2 PHE A 43 5.089 1.138 -2.003 1.00 0.00 H new ATOM 0 HB3 PHE A 43 6.490 1.891 -2.738 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.075 3.440 -4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.985 2.173 -2.110 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.669 5.347 -5.505 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.599 4.103 -2.793 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.437 5.684 -4.501 1.00 0.00 H new ATOM 713 N GLU A 44 7.174 1.423 -5.407 1.00 0.00 N ATOM 714 CA GLU A 44 7.683 1.955 -6.698 1.00 0.00 C ATOM 715 C GLU A 44 7.433 0.876 -7.757 1.00 0.00 C ATOM 716 O GLU A 44 7.127 1.154 -8.899 1.00 0.00 O ATOM 717 CB GLU A 44 9.181 2.252 -6.595 1.00 0.00 C ATOM 718 CG GLU A 44 9.413 3.417 -5.624 1.00 0.00 C ATOM 719 CD GLU A 44 9.296 4.746 -6.377 1.00 0.00 C ATOM 720 OE1 GLU A 44 10.195 5.050 -7.142 1.00 0.00 O ATOM 721 OE2 GLU A 44 8.310 5.434 -6.175 1.00 0.00 O ATOM 0 H GLU A 44 7.846 1.417 -4.640 1.00 0.00 H new ATOM 0 HA GLU A 44 7.177 2.884 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.714 1.366 -6.249 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.580 2.501 -7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.683 3.380 -4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.399 3.332 -5.167 1.00 0.00 H new ATOM 728 N GLU A 45 7.560 -0.366 -7.360 1.00 0.00 N ATOM 729 CA GLU A 45 7.337 -1.507 -8.288 1.00 0.00 C ATOM 730 C GLU A 45 5.843 -1.757 -8.512 1.00 0.00 C ATOM 731 O GLU A 45 5.423 -2.127 -9.590 1.00 0.00 O ATOM 732 CB GLU A 45 7.924 -2.767 -7.652 1.00 0.00 C ATOM 733 CG GLU A 45 8.416 -3.708 -8.745 1.00 0.00 C ATOM 734 CD GLU A 45 7.250 -4.085 -9.662 1.00 0.00 C ATOM 735 OE1 GLU A 45 6.379 -4.811 -9.213 1.00 0.00 O ATOM 736 OE2 GLU A 45 7.249 -3.640 -10.799 1.00 0.00 O ATOM 0 H GLU A 45 7.814 -0.638 -6.410 1.00 0.00 H new ATOM 0 HA GLU A 45 7.809 -1.272 -9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.747 -2.502 -6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.170 -3.264 -7.042 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.206 -3.229 -9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.846 -4.605 -8.300 1.00 0.00 H new ATOM 743 N ILE A 46 5.042 -1.601 -7.493 1.00 0.00 N ATOM 744 CA ILE A 46 3.587 -1.880 -7.651 1.00 0.00 C ATOM 745 C ILE A 46 2.859 -0.633 -8.158 1.00 0.00 C ATOM 746 O ILE A 46 1.956 -0.729 -8.963 1.00 0.00 O ATOM 747 CB ILE A 46 3.008 -2.360 -6.310 1.00 0.00 C ATOM 748 CG1 ILE A 46 2.047 -3.525 -6.562 1.00 0.00 C ATOM 749 CG2 ILE A 46 2.255 -1.238 -5.616 1.00 0.00 C ATOM 750 CD1 ILE A 46 2.836 -4.798 -6.890 1.00 0.00 C ATOM 0 H ILE A 46 5.330 -1.294 -6.564 1.00 0.00 H new ATOM 0 HA ILE A 46 3.445 -2.668 -8.390 1.00 0.00 H new ATOM 0 HB ILE A 46 3.831 -2.680 -5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.425 -3.690 -5.682 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.376 -3.281 -7.386 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.854 -1.600 -4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.934 -0.406 -5.428 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.436 -0.902 -6.252 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.143 -5.620 -7.067 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.439 -4.633 -7.783 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.488 -5.048 -6.053 1.00 0.00 H new ATOM 762 N ASP A 47 3.259 0.536 -7.741 1.00 0.00 N ATOM 763 CA ASP A 47 2.588 1.751 -8.271 1.00 0.00 C ATOM 764 C ASP A 47 2.977 1.837 -9.738 1.00 0.00 C ATOM 765 O ASP A 47 3.867 2.573 -10.113 1.00 0.00 O ATOM 766 CB ASP A 47 3.080 2.994 -7.526 1.00 0.00 C ATOM 767 CG ASP A 47 2.444 4.242 -8.140 1.00 0.00 C ATOM 768 OD1 ASP A 47 1.495 4.091 -8.890 1.00 0.00 O ATOM 769 OD2 ASP A 47 2.917 5.328 -7.849 1.00 0.00 O ATOM 0 H ASP A 47 4.008 0.700 -7.068 1.00 0.00 H new ATOM 0 HA ASP A 47 1.507 1.697 -8.143 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.822 2.924 -6.469 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.166 3.060 -7.585 1.00 0.00 H new ATOM 774 N VAL A 48 2.356 1.046 -10.566 1.00 0.00 N ATOM 775 CA VAL A 48 2.709 1.006 -12.020 1.00 0.00 C ATOM 776 C VAL A 48 2.185 2.195 -12.801 1.00 0.00 C ATOM 777 O VAL A 48 2.677 2.515 -13.866 1.00 0.00 O ATOM 778 CB VAL A 48 2.010 -0.213 -12.607 1.00 0.00 C ATOM 779 CG1 VAL A 48 0.496 -0.098 -12.365 1.00 0.00 C ATOM 780 CG2 VAL A 48 2.263 -0.265 -14.116 1.00 0.00 C ATOM 0 H VAL A 48 1.604 0.412 -10.295 1.00 0.00 H new ATOM 0 HA VAL A 48 3.796 0.995 -12.094 1.00 0.00 H new ATOM 0 HB VAL A 48 2.396 -1.115 -12.132 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.007 -0.970 -12.784 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.302 -0.047 -11.294 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.118 0.805 -12.845 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.764 -1.137 -14.539 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.871 0.639 -14.582 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.335 -0.334 -14.303 1.00 0.00 H new ATOM 790 N ASP A 49 1.160 2.803 -12.335 1.00 0.00 N ATOM 791 CA ASP A 49 0.569 3.914 -13.112 1.00 0.00 C ATOM 792 C ASP A 49 1.436 5.149 -12.947 1.00 0.00 C ATOM 793 O ASP A 49 1.353 6.092 -13.706 1.00 0.00 O ATOM 794 CB ASP A 49 -0.867 4.129 -12.627 1.00 0.00 C ATOM 795 CG ASP A 49 -1.105 5.588 -12.231 1.00 0.00 C ATOM 796 OD1 ASP A 49 -0.838 6.456 -13.046 1.00 0.00 O ATOM 797 OD2 ASP A 49 -1.555 5.809 -11.121 1.00 0.00 O ATOM 0 H ASP A 49 0.698 2.587 -11.452 1.00 0.00 H new ATOM 0 HA ASP A 49 0.532 3.687 -14.177 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.566 3.844 -13.414 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.066 3.481 -11.774 1.00 0.00 H new ATOM 802 N GLY A 50 2.310 5.124 -11.991 1.00 0.00 N ATOM 803 CA GLY A 50 3.236 6.255 -11.793 1.00 0.00 C ATOM 804 C GLY A 50 2.511 7.490 -11.256 1.00 0.00 C ATOM 805 O GLY A 50 3.086 8.557 -11.171 1.00 0.00 O ATOM 0 H GLY A 50 2.422 4.355 -11.330 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.023 5.964 -11.098 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.720 6.499 -12.739 1.00 0.00 H new ATOM 809 N ASN A 51 1.278 7.367 -10.863 1.00 0.00 N ATOM 810 CA ASN A 51 0.578 8.551 -10.307 1.00 0.00 C ATOM 811 C ASN A 51 1.117 8.755 -8.900 1.00 0.00 C ATOM 812 O ASN A 51 0.693 9.629 -8.169 1.00 0.00 O ATOM 813 CB ASN A 51 -0.930 8.301 -10.255 1.00 0.00 C ATOM 814 CG ASN A 51 -1.635 9.551 -9.724 1.00 0.00 C ATOM 815 OD1 ASN A 51 -1.184 10.657 -9.943 1.00 0.00 O ATOM 816 ND2 ASN A 51 -2.733 9.420 -9.030 1.00 0.00 N ATOM 0 H ASN A 51 0.730 6.508 -10.902 1.00 0.00 H new ATOM 0 HA ASN A 51 0.748 9.430 -10.928 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.303 8.054 -11.249 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.146 7.448 -9.612 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.212 10.246 -8.672 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.112 8.491 -8.846 1.00 0.00 H new ATOM 823 N GLY A 52 2.063 7.939 -8.529 1.00 0.00 N ATOM 824 CA GLY A 52 2.661 8.048 -7.179 1.00 0.00 C ATOM 825 C GLY A 52 1.707 7.436 -6.158 1.00 0.00 C ATOM 826 O GLY A 52 1.748 7.761 -4.987 1.00 0.00 O ATOM 0 H GLY A 52 2.448 7.196 -9.112 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.622 7.534 -7.151 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.852 9.093 -6.936 1.00 0.00 H new ATOM 830 N GLU A 53 0.824 6.572 -6.591 1.00 0.00 N ATOM 831 CA GLU A 53 -0.149 5.966 -5.637 1.00 0.00 C ATOM 832 C GLU A 53 -0.481 4.532 -6.034 1.00 0.00 C ATOM 833 O GLU A 53 -0.363 4.144 -7.179 1.00 0.00 O ATOM 834 CB GLU A 53 -1.448 6.801 -5.638 1.00 0.00 C ATOM 835 CG GLU A 53 -1.149 8.234 -6.086 1.00 0.00 C ATOM 836 CD GLU A 53 -2.434 9.063 -6.024 1.00 0.00 C ATOM 837 OE1 GLU A 53 -3.347 8.760 -6.773 1.00 0.00 O ATOM 838 OE2 GLU A 53 -2.483 9.988 -5.229 1.00 0.00 O ATOM 0 H GLU A 53 0.736 6.262 -7.559 1.00 0.00 H new ATOM 0 HA GLU A 53 0.299 5.959 -4.644 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.181 6.348 -6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.887 6.807 -4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.386 8.676 -5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.751 8.234 -7.101 1.00 0.00 H new ATOM 845 N LEU A 54 -0.922 3.747 -5.084 1.00 0.00 N ATOM 846 CA LEU A 54 -1.289 2.354 -5.388 1.00 0.00 C ATOM 847 C LEU A 54 -2.665 2.352 -6.021 1.00 0.00 C ATOM 848 O LEU A 54 -3.576 2.983 -5.539 1.00 0.00 O ATOM 849 CB LEU A 54 -1.401 1.574 -4.090 1.00 0.00 C ATOM 850 CG LEU A 54 -0.054 1.397 -3.396 1.00 0.00 C ATOM 851 CD1 LEU A 54 1.138 1.508 -4.368 1.00 0.00 C ATOM 852 CD2 LEU A 54 0.023 2.440 -2.314 1.00 0.00 C ATOM 0 H LEU A 54 -1.040 4.024 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.540 1.913 -6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.087 2.090 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.832 0.594 -4.295 1.00 0.00 H new ATOM 0 HG LEU A 54 0.013 0.392 -2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.070 1.374 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.055 0.738 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.133 2.491 -4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.974 2.350 -1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.054 3.432 -2.759 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.796 2.294 -1.609 1.00 0.00 H new ATOM 864 N ASN A 55 -2.826 1.645 -7.087 1.00 0.00 N ATOM 865 CA ASN A 55 -4.164 1.597 -7.747 1.00 0.00 C ATOM 866 C ASN A 55 -4.936 0.394 -7.220 1.00 0.00 C ATOM 867 O ASN A 55 -4.449 -0.363 -6.406 1.00 0.00 O ATOM 868 CB ASN A 55 -4.023 1.479 -9.269 1.00 0.00 C ATOM 869 CG ASN A 55 -2.579 1.150 -9.636 1.00 0.00 C ATOM 870 OD1 ASN A 55 -1.660 1.817 -9.205 1.00 0.00 O ATOM 871 ND2 ASN A 55 -2.339 0.140 -10.424 1.00 0.00 N ATOM 0 H ASN A 55 -2.096 1.094 -7.539 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.697 2.520 -7.520 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.688 0.702 -9.645 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.324 2.413 -9.744 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.379 -0.091 -10.679 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.111 -0.420 -10.785 1.00 0.00 H new ATOM 878 N ALA A 56 -6.141 0.221 -7.684 1.00 0.00 N ATOM 879 CA ALA A 56 -6.984 -0.919 -7.213 1.00 0.00 C ATOM 880 C ALA A 56 -6.348 -2.276 -7.584 1.00 0.00 C ATOM 881 O ALA A 56 -6.058 -3.087 -6.719 1.00 0.00 O ATOM 882 CB ALA A 56 -8.378 -0.760 -7.824 1.00 0.00 C ATOM 0 H ALA A 56 -6.585 0.825 -8.376 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.058 -0.905 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.015 -1.581 -7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.811 0.187 -7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.302 -0.772 -8.911 1.00 0.00 H new ATOM 888 N ASP A 57 -6.131 -2.563 -8.838 1.00 0.00 N ATOM 889 CA ASP A 57 -5.527 -3.885 -9.185 1.00 0.00 C ATOM 890 C ASP A 57 -4.153 -4.029 -8.515 1.00 0.00 C ATOM 891 O ASP A 57 -3.817 -5.065 -7.961 1.00 0.00 O ATOM 892 CB ASP A 57 -5.365 -3.986 -10.702 1.00 0.00 C ATOM 893 CG ASP A 57 -5.011 -5.424 -11.085 1.00 0.00 C ATOM 894 OD1 ASP A 57 -5.922 -6.228 -11.199 1.00 0.00 O ATOM 895 OD2 ASP A 57 -3.835 -5.699 -11.259 1.00 0.00 O ATOM 0 H ASP A 57 -6.341 -1.952 -9.627 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.182 -4.681 -8.830 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.288 -3.684 -11.197 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.584 -3.306 -11.041 1.00 0.00 H new ATOM 900 N GLU A 58 -3.357 -2.997 -8.553 1.00 0.00 N ATOM 901 CA GLU A 58 -2.015 -3.077 -7.920 1.00 0.00 C ATOM 902 C GLU A 58 -2.209 -3.151 -6.412 1.00 0.00 C ATOM 903 O GLU A 58 -1.430 -3.750 -5.699 1.00 0.00 O ATOM 904 CB GLU A 58 -1.173 -1.849 -8.290 1.00 0.00 C ATOM 905 CG GLU A 58 -0.649 -1.980 -9.724 1.00 0.00 C ATOM 906 CD GLU A 58 0.287 -3.186 -9.839 1.00 0.00 C ATOM 907 OE1 GLU A 58 -0.205 -4.271 -10.101 1.00 0.00 O ATOM 908 OE2 GLU A 58 1.482 -3.002 -9.671 1.00 0.00 O ATOM 0 H GLU A 58 -3.579 -2.104 -8.994 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.486 -3.961 -8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.774 -0.945 -8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.337 -1.750 -7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.484 -2.092 -10.415 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.119 -1.071 -10.009 1.00 0.00 H new ATOM 915 N PHE A 59 -3.261 -2.555 -5.927 1.00 0.00 N ATOM 916 CA PHE A 59 -3.542 -2.588 -4.469 1.00 0.00 C ATOM 917 C PHE A 59 -3.570 -4.040 -4.005 1.00 0.00 C ATOM 918 O PHE A 59 -2.993 -4.399 -2.999 1.00 0.00 O ATOM 919 CB PHE A 59 -4.944 -2.036 -4.228 1.00 0.00 C ATOM 920 CG PHE A 59 -4.908 -0.637 -3.713 1.00 0.00 C ATOM 921 CD1 PHE A 59 -4.157 -0.317 -2.587 1.00 0.00 C ATOM 922 CD2 PHE A 59 -5.639 0.343 -4.371 1.00 0.00 C ATOM 923 CE1 PHE A 59 -4.146 0.991 -2.130 1.00 0.00 C ATOM 924 CE2 PHE A 59 -5.623 1.636 -3.924 1.00 0.00 C ATOM 925 CZ PHE A 59 -4.883 1.970 -2.810 1.00 0.00 C ATOM 0 H PHE A 59 -3.944 -2.042 -6.485 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.783 -2.011 -3.942 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.511 -2.066 -5.158 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.467 -2.672 -3.515 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.589 -1.079 -2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.224 0.083 -5.241 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.572 1.255 -1.254 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.190 2.394 -4.444 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.871 2.991 -2.459 1.00 0.00 H new ATOM 935 N THR A 60 -4.242 -4.880 -4.741 1.00 0.00 N ATOM 936 CA THR A 60 -4.314 -6.309 -4.344 1.00 0.00 C ATOM 937 C THR A 60 -2.935 -6.921 -4.477 1.00 0.00 C ATOM 938 O THR A 60 -2.422 -7.516 -3.554 1.00 0.00 O ATOM 939 CB THR A 60 -5.305 -7.034 -5.249 1.00 0.00 C ATOM 940 OG1 THR A 60 -4.815 -7.039 -6.582 1.00 0.00 O ATOM 941 CG2 THR A 60 -6.643 -6.301 -5.191 1.00 0.00 C ATOM 0 H THR A 60 -4.742 -4.638 -5.597 1.00 0.00 H new ATOM 0 HA THR A 60 -4.651 -6.399 -3.311 1.00 0.00 H new ATOM 0 HB THR A 60 -5.433 -8.064 -4.916 1.00 0.00 H new ATOM 0 HG1 THR A 60 -4.806 -6.123 -6.931 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.363 -6.807 -5.833 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.012 -6.297 -4.165 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.511 -5.275 -5.533 1.00 0.00 H new ATOM 949 N SER A 61 -2.314 -6.758 -5.606 1.00 0.00 N ATOM 950 CA SER A 61 -0.950 -7.316 -5.765 1.00 0.00 C ATOM 951 C SER A 61 -0.041 -6.666 -4.724 1.00 0.00 C ATOM 952 O SER A 61 0.972 -7.234 -4.294 1.00 0.00 O ATOM 953 CB SER A 61 -0.427 -6.986 -7.165 1.00 0.00 C ATOM 954 OG SER A 61 0.617 -7.889 -7.501 1.00 0.00 O ATOM 0 H SER A 61 -2.688 -6.267 -6.418 1.00 0.00 H new ATOM 0 HA SER A 61 -0.968 -8.398 -5.631 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.234 -7.058 -7.894 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.060 -5.960 -7.196 1.00 0.00 H new ATOM 0 HG SER A 61 0.953 -7.681 -8.398 1.00 0.00 H new ATOM 960 N CYS A 62 -0.442 -5.522 -4.221 1.00 0.00 N ATOM 961 CA CYS A 62 0.365 -4.868 -3.169 1.00 0.00 C ATOM 962 C CYS A 62 0.279 -5.738 -1.938 1.00 0.00 C ATOM 963 O CYS A 62 1.238 -5.938 -1.220 1.00 0.00 O ATOM 964 CB CYS A 62 -0.190 -3.474 -2.859 1.00 0.00 C ATOM 965 SG CYS A 62 1.107 -2.466 -2.098 1.00 0.00 S ATOM 0 H CYS A 62 -1.288 -5.024 -4.498 1.00 0.00 H new ATOM 0 HA CYS A 62 1.398 -4.752 -3.497 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -0.544 -3.000 -3.774 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -1.046 -3.552 -2.188 1.00 0.00 H new ATOM 0 HG CYS A 62 2.267 -3.008 -2.324 1.00 0.00 H new ATOM 971 N ILE A 63 -0.880 -6.275 -1.703 1.00 0.00 N ATOM 972 CA ILE A 63 -1.052 -7.152 -0.532 1.00 0.00 C ATOM 973 C ILE A 63 -0.571 -8.548 -0.880 1.00 0.00 C ATOM 974 O ILE A 63 0.013 -9.210 -0.046 1.00 0.00 O ATOM 975 CB ILE A 63 -2.516 -7.183 -0.113 1.00 0.00 C ATOM 976 CG1 ILE A 63 -3.046 -5.749 -0.060 1.00 0.00 C ATOM 977 CG2 ILE A 63 -2.637 -7.820 1.273 1.00 0.00 C ATOM 978 CD1 ILE A 63 -2.025 -4.850 0.640 1.00 0.00 C ATOM 0 H ILE A 63 -1.714 -6.141 -2.275 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.465 -6.768 0.302 1.00 0.00 H new ATOM 0 HB ILE A 63 -3.093 -7.767 -0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.236 -5.383 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.996 -5.721 0.473 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.685 -7.842 1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.247 -8.837 1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.066 -7.235 1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.404 -3.829 0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.857 -5.212 1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.085 -4.868 0.088 1.00 0.00 H new