USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 HIS : no HE2:sc= 0.893 K(o=0.89,f=-3!) USER MOD Set 1.2: A 87 GLN : amide:sc= 0 X(o=0.89,f=0.89) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0231 USER MOD Single : A 34 GLN : amide:sc= 0.972 K(o=0.97,f=-4.5!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.148 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= -0.137 K(o=-0.14,f=-0.75) USER MOD Single : A 74 TYR OH : rot 130:sc= 0 USER MOD Single : A 79 MET CE :methyl -171:sc= -0.15 (180deg=-0.354) USER MOD Single : A 80 HIS : no HD1:sc= -0.456 K(o=-0.46,f=-1.4) USER MOD Single : A 81 HIS : no HD1:sc= -0.0397 X(o=-0.04,f=-0.0083) USER MOD Single : A 85 ASN : amide:sc= -0.0205 X(o=-0.021,f=-0.5) USER MOD Single : A 89 ASN : amide:sc= 0.0092 K(o=0.0092,f=-5.3!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -14.199 -7.995 11.304 1.00 0.00 N ATOM 67 CA TYR A 8 -13.331 -7.973 10.138 1.00 0.00 C ATOM 68 C TYR A 8 -11.918 -8.420 10.503 1.00 0.00 C ATOM 69 O TYR A 8 -11.507 -8.310 11.659 1.00 0.00 O ATOM 70 CB TYR A 8 -13.346 -6.581 9.482 1.00 0.00 C ATOM 71 CG TYR A 8 -12.439 -5.558 10.114 1.00 0.00 C ATOM 72 CD1 TYR A 8 -11.096 -5.502 9.717 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.933 -4.670 11.078 1.00 0.00 C ATOM 74 CE1 TYR A 8 -10.235 -4.553 10.288 1.00 0.00 C ATOM 75 CE2 TYR A 8 -12.078 -3.705 11.645 1.00 0.00 C ATOM 76 CZ TYR A 8 -10.723 -3.639 11.246 1.00 0.00 C ATOM 77 OH TYR A 8 -9.886 -2.702 11.771 1.00 0.00 O ATOM 0 HA TYR A 8 -13.711 -8.684 9.405 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -13.068 -6.689 8.434 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.367 -6.199 9.503 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.724 -6.189 8.972 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -13.967 -4.725 11.386 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -9.196 -4.522 9.994 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.457 -3.015 12.385 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.376 -2.150 12.415 1.00 0.00 H new ATOM 87 N LYS A 9 -11.175 -8.886 9.499 1.00 0.00 N ATOM 88 CA LYS A 9 -9.798 -9.338 9.628 1.00 0.00 C ATOM 89 C LYS A 9 -8.935 -8.573 8.644 1.00 0.00 C ATOM 90 O LYS A 9 -9.352 -8.376 7.502 1.00 0.00 O ATOM 91 CB LYS A 9 -9.716 -10.860 9.437 1.00 0.00 C ATOM 92 CG LYS A 9 -10.168 -11.333 8.042 1.00 0.00 C ATOM 93 CD LYS A 9 -10.155 -12.861 7.922 1.00 0.00 C ATOM 94 CE LYS A 9 -9.031 -13.323 6.994 1.00 0.00 C ATOM 95 NZ LYS A 9 -8.958 -14.793 6.954 1.00 0.00 N ATOM 0 H LYS A 9 -11.530 -8.960 8.546 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.422 -9.134 10.630 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.689 -11.184 9.606 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.332 -11.346 10.193 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.173 -10.962 7.841 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.513 -10.904 7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.025 -13.307 8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.115 -13.208 7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.200 -12.935 5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.080 -12.916 7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.188 -15.085 6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.774 -15.158 7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -9.860 -15.176 6.605 1.00 0.00 H new ATOM 109 N GLU A 10 -7.760 -8.139 9.087 1.00 0.00 N ATOM 110 CA GLU A 10 -6.716 -7.566 8.247 1.00 0.00 C ATOM 111 C GLU A 10 -5.755 -8.700 7.849 1.00 0.00 C ATOM 112 O GLU A 10 -5.624 -9.702 8.571 1.00 0.00 O ATOM 113 CB GLU A 10 -5.991 -6.455 9.042 1.00 0.00 C ATOM 114 CG GLU A 10 -6.583 -5.087 8.677 1.00 0.00 C ATOM 115 CD GLU A 10 -6.429 -3.958 9.693 1.00 0.00 C ATOM 116 OE1 GLU A 10 -5.572 -4.041 10.603 1.00 0.00 O ATOM 117 OE2 GLU A 10 -7.255 -3.021 9.648 1.00 0.00 O ATOM 0 H GLU A 10 -7.500 -8.178 10.073 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.126 -7.118 7.342 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.095 -6.633 10.112 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.924 -6.472 8.819 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -6.127 -4.762 7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.647 -5.222 8.483 1.00 0.00 H new ATOM 124 N LEU A 11 -5.065 -8.552 6.719 1.00 0.00 N ATOM 125 CA LEU A 11 -4.043 -9.449 6.192 1.00 0.00 C ATOM 126 C LEU A 11 -2.936 -8.567 5.625 1.00 0.00 C ATOM 127 O LEU A 11 -3.216 -7.634 4.874 1.00 0.00 O ATOM 128 CB LEU A 11 -4.562 -10.374 5.072 1.00 0.00 C ATOM 129 CG LEU A 11 -5.798 -11.222 5.431 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.103 -10.551 4.978 1.00 0.00 C ATOM 131 CD2 LEU A 11 -5.729 -12.614 4.796 1.00 0.00 C ATOM 0 H LEU A 11 -5.217 -7.749 6.109 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.702 -10.099 6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.803 -9.763 4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.756 -11.045 4.776 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.795 -11.312 6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -7.950 -11.181 5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.201 -9.581 5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.085 -10.414 3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.617 -13.184 5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.681 -12.517 3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.840 -13.133 5.153 1.00 0.00 H new ATOM 143 N ASP A 12 -1.693 -8.868 5.980 1.00 0.00 N ATOM 144 CA ASP A 12 -0.508 -8.178 5.488 1.00 0.00 C ATOM 145 C ASP A 12 -0.039 -8.819 4.198 1.00 0.00 C ATOM 146 O ASP A 12 0.094 -10.046 4.087 1.00 0.00 O ATOM 147 CB ASP A 12 0.619 -8.221 6.536 1.00 0.00 C ATOM 148 CG ASP A 12 1.159 -9.635 6.796 1.00 0.00 C ATOM 149 OD1 ASP A 12 0.441 -10.470 7.411 1.00 0.00 O ATOM 150 OD2 ASP A 12 2.283 -9.953 6.349 1.00 0.00 O ATOM 0 H ASP A 12 -1.476 -9.619 6.635 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.765 -7.136 5.300 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.438 -7.583 6.204 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.250 -7.804 7.473 1.00 0.00 H new ATOM 155 N VAL A 13 0.244 -7.976 3.216 1.00 0.00 N ATOM 156 CA VAL A 13 0.855 -8.412 1.981 1.00 0.00 C ATOM 157 C VAL A 13 2.042 -7.498 1.719 1.00 0.00 C ATOM 158 O VAL A 13 1.906 -6.372 1.247 1.00 0.00 O ATOM 159 CB VAL A 13 -0.193 -8.381 0.858 1.00 0.00 C ATOM 160 CG1 VAL A 13 0.453 -8.938 -0.425 1.00 0.00 C ATOM 161 CG2 VAL A 13 -1.468 -9.163 1.215 1.00 0.00 C ATOM 0 H VAL A 13 0.055 -6.975 3.258 1.00 0.00 H new ATOM 0 HA VAL A 13 1.216 -9.439 2.035 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.509 -7.349 0.707 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.276 -8.924 -1.235 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.310 -8.322 -0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.783 -9.962 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.173 -9.107 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.214 -10.206 1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.922 -8.731 2.107 1.00 0.00 H new ATOM 171 N HIS A 14 3.235 -8.040 1.921 1.00 0.00 N ATOM 172 CA HIS A 14 4.474 -7.311 1.759 1.00 0.00 C ATOM 173 C HIS A 14 5.145 -7.825 0.497 1.00 0.00 C ATOM 174 O HIS A 14 5.467 -9.015 0.403 1.00 0.00 O ATOM 175 CB HIS A 14 5.286 -7.444 3.048 1.00 0.00 C ATOM 176 CG HIS A 14 6.755 -7.185 2.893 1.00 0.00 C ATOM 177 ND1 HIS A 14 7.377 -6.199 2.157 1.00 0.00 N ATOM 178 CD2 HIS A 14 7.716 -7.990 3.419 1.00 0.00 C ATOM 179 CE1 HIS A 14 8.701 -6.426 2.232 1.00 0.00 C ATOM 180 NE2 HIS A 14 8.946 -7.540 2.945 1.00 0.00 N ATOM 0 H HIS A 14 3.365 -9.011 2.205 1.00 0.00 H new ATOM 0 HA HIS A 14 4.340 -6.239 1.616 1.00 0.00 H new ATOM 0 HB2 HIS A 14 4.885 -6.751 3.787 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.148 -8.449 3.446 1.00 0.00 H new ATOM 0 HD1 HIS A 14 6.920 -5.441 1.651 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.555 -8.826 4.083 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.460 -5.802 1.783 1.00 0.00 H new ATOM 188 N LEU A 15 5.336 -6.941 -0.485 1.00 0.00 N ATOM 189 CA LEU A 15 5.905 -7.273 -1.785 1.00 0.00 C ATOM 190 C LEU A 15 7.285 -6.649 -1.909 1.00 0.00 C ATOM 191 O LEU A 15 7.524 -5.539 -1.429 1.00 0.00 O ATOM 192 CB LEU A 15 5.023 -6.775 -2.944 1.00 0.00 C ATOM 193 CG LEU A 15 3.596 -7.343 -2.990 1.00 0.00 C ATOM 194 CD1 LEU A 15 2.853 -6.737 -4.189 1.00 0.00 C ATOM 195 CD2 LEU A 15 3.547 -8.868 -3.115 1.00 0.00 C ATOM 0 H LEU A 15 5.093 -5.955 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 15 5.967 -8.359 -1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.960 -5.688 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.520 -7.016 -3.884 1.00 0.00 H new ATOM 0 HG LEU A 15 3.126 -7.079 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.839 -7.136 -4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.813 -5.653 -4.082 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.379 -6.992 -5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.508 -9.198 -3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.049 -9.174 -4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.049 -9.320 -2.259 1.00 0.00 H new ATOM 207 N ARG A 16 8.166 -7.321 -2.645 1.00 0.00 N ATOM 208 CA ARG A 16 9.409 -6.725 -3.139 1.00 0.00 C ATOM 209 C ARG A 16 9.127 -6.033 -4.469 1.00 0.00 C ATOM 210 O ARG A 16 8.116 -6.306 -5.116 1.00 0.00 O ATOM 211 CB ARG A 16 10.509 -7.803 -3.240 1.00 0.00 C ATOM 212 CG ARG A 16 10.277 -8.915 -4.289 1.00 0.00 C ATOM 213 CD ARG A 16 10.555 -10.305 -3.698 1.00 0.00 C ATOM 214 NE ARG A 16 10.535 -11.385 -4.706 1.00 0.00 N ATOM 215 CZ ARG A 16 10.767 -12.681 -4.445 1.00 0.00 C ATOM 216 NH1 ARG A 16 10.959 -13.097 -3.196 1.00 0.00 N ATOM 217 NH2 ARG A 16 10.808 -13.556 -5.446 1.00 0.00 N ATOM 0 H ARG A 16 8.040 -8.296 -2.917 1.00 0.00 H new ATOM 0 HA ARG A 16 9.780 -5.971 -2.445 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.454 -7.309 -3.467 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.621 -8.272 -2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.249 -8.869 -4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.924 -8.747 -5.150 1.00 0.00 H new ATOM 0 HD2 ARG A 16 11.528 -10.295 -3.206 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.812 -10.521 -2.930 1.00 0.00 H new ATOM 0 HE ARG A 16 10.330 -11.127 -5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.931 -12.429 -2.426 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.135 -14.084 -3.009 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.664 -13.241 -6.405 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.984 -14.542 -5.254 1.00 0.00 H new ATOM 231 N ARG A 17 10.022 -5.171 -4.934 1.00 0.00 N ATOM 232 CA ARG A 17 10.063 -4.676 -6.297 1.00 0.00 C ATOM 233 C ARG A 17 11.402 -5.177 -6.795 1.00 0.00 C ATOM 234 O ARG A 17 12.435 -4.589 -6.475 1.00 0.00 O ATOM 235 CB ARG A 17 9.982 -3.145 -6.342 1.00 0.00 C ATOM 236 CG ARG A 17 9.879 -2.627 -7.779 1.00 0.00 C ATOM 237 CD ARG A 17 10.237 -1.138 -7.856 1.00 0.00 C ATOM 238 NE ARG A 17 11.681 -0.900 -8.039 1.00 0.00 N ATOM 239 CZ ARG A 17 12.352 -0.873 -9.199 1.00 0.00 C ATOM 240 NH1 ARG A 17 11.762 -1.213 -10.344 1.00 0.00 N ATOM 241 NH2 ARG A 17 13.621 -0.484 -9.197 1.00 0.00 N ATOM 0 H ARG A 17 10.764 -4.786 -4.349 1.00 0.00 H new ATOM 0 HA ARG A 17 9.224 -5.016 -6.904 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.116 -2.809 -5.771 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.864 -2.719 -5.864 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.547 -3.199 -8.424 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.867 -2.781 -8.153 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.692 -0.681 -8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.906 -0.643 -6.943 1.00 0.00 H new ATOM 0 HE ARG A 17 12.227 -0.739 -7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.783 -1.500 -10.348 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.289 -1.186 -11.217 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.070 -0.212 -8.322 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.148 -0.457 -10.070 1.00 0.00 H new ATOM 255 N MET A 18 11.405 -6.320 -7.469 1.00 0.00 N ATOM 256 CA MET A 18 12.660 -6.899 -7.930 1.00 0.00 C ATOM 257 C MET A 18 12.489 -7.570 -9.288 1.00 0.00 C ATOM 258 O MET A 18 13.476 -7.815 -9.973 1.00 0.00 O ATOM 259 CB MET A 18 13.199 -7.843 -6.843 1.00 0.00 C ATOM 260 CG MET A 18 14.693 -7.703 -6.603 1.00 0.00 C ATOM 261 SD MET A 18 15.152 -8.485 -5.036 1.00 0.00 S ATOM 262 CE MET A 18 16.925 -8.613 -5.317 1.00 0.00 C ATOM 0 H MET A 18 10.570 -6.856 -7.705 1.00 0.00 H new ATOM 0 HA MET A 18 13.402 -6.116 -8.088 1.00 0.00 H new ATOM 0 HB2 MET A 18 12.670 -7.649 -5.910 1.00 0.00 H new ATOM 0 HB3 MET A 18 12.980 -8.873 -7.126 1.00 0.00 H new ATOM 0 HG2 MET A 18 15.245 -8.163 -7.423 1.00 0.00 H new ATOM 0 HG3 MET A 18 14.968 -6.649 -6.586 1.00 0.00 H new ATOM 0 HE1 MET A 18 17.398 -9.077 -4.451 1.00 0.00 H new ATOM 0 HE2 MET A 18 17.110 -9.222 -6.202 1.00 0.00 H new ATOM 0 HE3 MET A 18 17.342 -7.617 -5.468 1.00 0.00 H new ATOM 272 N GLU A 19 11.249 -7.781 -9.733 1.00 0.00 N ATOM 273 CA GLU A 19 10.921 -8.242 -11.068 1.00 0.00 C ATOM 274 C GLU A 19 9.788 -7.338 -11.555 1.00 0.00 C ATOM 275 O GLU A 19 10.048 -6.160 -11.792 1.00 0.00 O ATOM 276 CB GLU A 19 10.581 -9.733 -11.022 1.00 0.00 C ATOM 277 CG GLU A 19 11.838 -10.605 -10.885 1.00 0.00 C ATOM 278 CD GLU A 19 11.469 -12.059 -10.618 1.00 0.00 C ATOM 279 OE1 GLU A 19 10.552 -12.584 -11.286 1.00 0.00 O ATOM 280 OE2 GLU A 19 12.029 -12.652 -9.667 1.00 0.00 O ATOM 0 H GLU A 19 10.426 -7.629 -9.150 1.00 0.00 H new ATOM 0 HA GLU A 19 11.746 -8.169 -11.776 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.912 -9.927 -10.184 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.044 -10.011 -11.929 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.432 -10.539 -11.797 1.00 0.00 H new ATOM 0 HG3 GLU A 19 12.459 -10.229 -10.072 1.00 0.00 H new ATOM 287 N SER A 20 8.552 -7.818 -11.663 1.00 0.00 N ATOM 288 CA SER A 20 7.473 -7.104 -12.342 1.00 0.00 C ATOM 289 C SER A 20 7.082 -5.793 -11.637 1.00 0.00 C ATOM 290 O SER A 20 6.752 -4.814 -12.315 1.00 0.00 O ATOM 291 CB SER A 20 6.273 -8.053 -12.437 1.00 0.00 C ATOM 292 OG SER A 20 6.663 -9.385 -12.715 1.00 0.00 O ATOM 0 H SER A 20 8.268 -8.720 -11.279 1.00 0.00 H new ATOM 0 HA SER A 20 7.817 -6.809 -13.333 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.717 -8.027 -11.500 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.597 -7.704 -13.218 1.00 0.00 H new ATOM 0 HG SER A 20 5.867 -9.955 -12.765 1.00 0.00 H new ATOM 298 N GLY A 21 7.213 -5.730 -10.303 1.00 0.00 N ATOM 299 CA GLY A 21 6.923 -4.552 -9.498 1.00 0.00 C ATOM 300 C GLY A 21 5.436 -4.418 -9.170 1.00 0.00 C ATOM 301 O GLY A 21 4.683 -3.826 -9.946 1.00 0.00 O ATOM 0 H GLY A 21 7.533 -6.523 -9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.493 -4.601 -8.570 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.256 -3.661 -10.031 1.00 0.00 H new ATOM 305 N PHE A 22 5.035 -4.943 -8.007 1.00 0.00 N ATOM 306 CA PHE A 22 3.736 -4.780 -7.349 1.00 0.00 C ATOM 307 C PHE A 22 2.536 -4.897 -8.315 1.00 0.00 C ATOM 308 O PHE A 22 1.853 -3.917 -8.619 1.00 0.00 O ATOM 309 CB PHE A 22 3.683 -3.478 -6.516 1.00 0.00 C ATOM 310 CG PHE A 22 4.929 -2.963 -5.800 1.00 0.00 C ATOM 311 CD1 PHE A 22 5.825 -3.805 -5.107 1.00 0.00 C ATOM 312 CD2 PHE A 22 5.136 -1.570 -5.756 1.00 0.00 C ATOM 313 CE1 PHE A 22 6.897 -3.250 -4.385 1.00 0.00 C ATOM 314 CE2 PHE A 22 6.181 -1.018 -5.002 1.00 0.00 C ATOM 315 CZ PHE A 22 7.067 -1.856 -4.313 1.00 0.00 C ATOM 0 H PHE A 22 5.658 -5.538 -7.461 1.00 0.00 H new ATOM 0 HA PHE A 22 3.639 -5.620 -6.662 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.344 -2.684 -7.182 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.910 -3.612 -5.759 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.687 -4.876 -5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.479 -0.917 -6.312 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.596 -3.901 -3.881 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.303 0.054 -4.952 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.874 -1.435 -3.731 1.00 0.00 H new ATOM 325 N GLY A 23 2.251 -6.105 -8.802 1.00 0.00 N ATOM 326 CA GLY A 23 1.295 -6.343 -9.884 1.00 0.00 C ATOM 327 C GLY A 23 -0.173 -6.331 -9.462 1.00 0.00 C ATOM 328 O GLY A 23 -0.891 -7.281 -9.755 1.00 0.00 O ATOM 0 H GLY A 23 2.684 -6.959 -8.450 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.443 -5.584 -10.653 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.518 -7.307 -10.341 1.00 0.00 H new ATOM 332 N PHE A 24 -0.644 -5.273 -8.808 1.00 0.00 N ATOM 333 CA PHE A 24 -2.059 -5.032 -8.530 1.00 0.00 C ATOM 334 C PHE A 24 -2.478 -3.699 -9.148 1.00 0.00 C ATOM 335 O PHE A 24 -1.642 -3.013 -9.748 1.00 0.00 O ATOM 336 CB PHE A 24 -2.357 -5.136 -7.027 1.00 0.00 C ATOM 337 CG PHE A 24 -1.861 -3.985 -6.168 1.00 0.00 C ATOM 338 CD1 PHE A 24 -0.544 -3.987 -5.664 1.00 0.00 C ATOM 339 CD2 PHE A 24 -2.736 -2.935 -5.821 1.00 0.00 C ATOM 340 CE1 PHE A 24 -0.118 -2.954 -4.809 1.00 0.00 C ATOM 341 CE2 PHE A 24 -2.313 -1.920 -4.952 1.00 0.00 C ATOM 342 CZ PHE A 24 -1.006 -1.928 -4.450 1.00 0.00 C ATOM 0 H PHE A 24 -0.036 -4.538 -8.446 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.665 -5.809 -8.996 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.436 -5.222 -6.896 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.915 -6.059 -6.652 1.00 0.00 H new ATOM 0 HD1 PHE A 24 0.137 -4.781 -5.934 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -3.737 -2.913 -6.227 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.893 -2.951 -4.429 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.995 -1.132 -4.670 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.680 -1.142 -3.785 1.00 0.00 H new ATOM 352 N ARG A 25 -3.759 -3.340 -9.073 1.00 0.00 N ATOM 353 CA ARG A 25 -4.238 -1.997 -9.379 1.00 0.00 C ATOM 354 C ARG A 25 -5.259 -1.594 -8.324 1.00 0.00 C ATOM 355 O ARG A 25 -5.761 -2.446 -7.596 1.00 0.00 O ATOM 356 CB ARG A 25 -4.808 -1.957 -10.806 1.00 0.00 C ATOM 357 CG ARG A 25 -4.331 -0.713 -11.580 1.00 0.00 C ATOM 358 CD ARG A 25 -4.747 -0.833 -13.051 1.00 0.00 C ATOM 359 NE ARG A 25 -3.916 -0.047 -13.983 1.00 0.00 N ATOM 360 CZ ARG A 25 -3.204 -0.569 -14.989 1.00 0.00 C ATOM 361 NH1 ARG A 25 -2.737 -1.811 -14.924 1.00 0.00 N ATOM 362 NH2 ARG A 25 -2.971 0.165 -16.069 1.00 0.00 N ATOM 0 H ARG A 25 -4.500 -3.983 -8.795 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.422 -1.275 -9.350 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.506 -2.856 -11.343 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.897 -1.962 -10.762 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.761 0.188 -11.142 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.248 -0.618 -11.504 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.707 -1.882 -13.343 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.785 -0.514 -13.150 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.882 0.964 -13.852 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.919 -2.382 -14.099 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.196 -2.194 -15.699 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.333 1.117 -16.127 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.430 -0.222 -16.842 1.00 0.00 H new ATOM 376 N ILE A 26 -5.594 -0.312 -8.241 1.00 0.00 N ATOM 377 CA ILE A 26 -6.416 0.264 -7.180 1.00 0.00 C ATOM 378 C ILE A 26 -7.488 1.118 -7.845 1.00 0.00 C ATOM 379 O ILE A 26 -7.168 1.899 -8.747 1.00 0.00 O ATOM 380 CB ILE A 26 -5.567 1.087 -6.171 1.00 0.00 C ATOM 381 CG1 ILE A 26 -4.045 1.105 -6.454 1.00 0.00 C ATOM 382 CG2 ILE A 26 -5.862 0.559 -4.761 1.00 0.00 C ATOM 383 CD1 ILE A 26 -3.220 1.982 -5.508 1.00 0.00 C ATOM 0 H ILE A 26 -5.293 0.377 -8.930 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.879 -0.530 -6.594 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.863 2.131 -6.276 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.669 0.084 -6.399 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.885 1.449 -7.476 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.278 1.121 -4.032 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.923 0.677 -4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.595 -0.496 -4.704 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.168 1.929 -5.787 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.562 3.015 -5.578 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.342 1.628 -4.484 1.00 0.00 H new ATOM 395 N LEU A 27 -8.750 0.931 -7.455 1.00 0.00 N ATOM 396 CA LEU A 27 -9.876 1.757 -7.880 1.00 0.00 C ATOM 397 C LEU A 27 -10.901 1.782 -6.746 1.00 0.00 C ATOM 398 O LEU A 27 -11.047 0.808 -6.005 1.00 0.00 O ATOM 399 CB LEU A 27 -10.383 1.316 -9.261 1.00 0.00 C ATOM 400 CG LEU A 27 -11.371 0.145 -9.266 1.00 0.00 C ATOM 401 CD1 LEU A 27 -12.786 0.699 -9.156 1.00 0.00 C ATOM 402 CD2 LEU A 27 -11.224 -0.674 -10.555 1.00 0.00 C ATOM 0 H LEU A 27 -9.022 0.181 -6.819 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.591 2.796 -8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.859 2.170 -9.742 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.523 1.044 -9.873 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.163 -0.511 -8.421 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.500 -0.124 -9.158 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.885 1.263 -8.228 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -12.986 1.356 -10.003 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.933 -1.502 -10.543 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.425 -0.037 -11.416 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.209 -1.066 -10.623 1.00 0.00 H new ATOM 414 N GLY A 28 -11.588 2.907 -6.599 1.00 0.00 N ATOM 415 CA GLY A 28 -12.197 3.330 -5.353 1.00 0.00 C ATOM 416 C GLY A 28 -11.456 4.570 -4.868 1.00 0.00 C ATOM 417 O GLY A 28 -10.479 5.002 -5.489 1.00 0.00 O ATOM 0 H GLY A 28 -11.739 3.564 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.254 3.550 -5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.138 2.535 -4.610 1.00 0.00 H new ATOM 421 N GLY A 29 -11.885 5.155 -3.749 1.00 0.00 N ATOM 422 CA GLY A 29 -11.265 6.384 -3.267 1.00 0.00 C ATOM 423 C GLY A 29 -11.564 7.567 -4.188 1.00 0.00 C ATOM 424 O GLY A 29 -10.693 8.419 -4.396 1.00 0.00 O ATOM 0 H GLY A 29 -12.647 4.803 -3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.627 6.604 -2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.187 6.243 -3.194 1.00 0.00 H new ATOM 428 N ASP A 30 -12.775 7.647 -4.757 1.00 0.00 N ATOM 429 CA ASP A 30 -13.211 8.809 -5.543 1.00 0.00 C ATOM 430 C ASP A 30 -13.086 10.086 -4.721 1.00 0.00 C ATOM 431 O ASP A 30 -12.731 11.140 -5.253 1.00 0.00 O ATOM 432 CB ASP A 30 -14.674 8.690 -5.995 1.00 0.00 C ATOM 433 CG ASP A 30 -14.806 7.950 -7.313 1.00 0.00 C ATOM 434 OD1 ASP A 30 -14.158 8.350 -8.306 1.00 0.00 O ATOM 435 OD2 ASP A 30 -15.546 6.944 -7.341 1.00 0.00 O ATOM 0 H ASP A 30 -13.477 6.911 -4.686 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.566 8.843 -6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.249 8.170 -5.229 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.104 9.686 -6.095 1.00 0.00 H new ATOM 440 N GLU A 31 -13.367 9.976 -3.424 1.00 0.00 N ATOM 441 CA GLU A 31 -13.520 11.058 -2.469 1.00 0.00 C ATOM 442 C GLU A 31 -12.806 10.642 -1.169 1.00 0.00 C ATOM 443 O GLU A 31 -12.588 9.441 -0.959 1.00 0.00 O ATOM 444 CB GLU A 31 -15.013 11.251 -2.172 1.00 0.00 C ATOM 445 CG GLU A 31 -15.942 11.540 -3.361 1.00 0.00 C ATOM 446 CD GLU A 31 -17.304 10.877 -3.139 1.00 0.00 C ATOM 447 OE1 GLU A 31 -17.880 11.056 -2.041 1.00 0.00 O ATOM 448 OE2 GLU A 31 -17.750 10.132 -4.040 1.00 0.00 O ATOM 0 H GLU A 31 -13.502 9.064 -2.989 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.100 11.983 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.375 10.352 -1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.111 12.072 -1.461 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -16.068 12.616 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -15.493 11.167 -4.282 1.00 0.00 H new ATOM 455 N PRO A 32 -12.458 11.593 -0.283 1.00 0.00 N ATOM 456 CA PRO A 32 -11.764 11.335 0.971 1.00 0.00 C ATOM 457 C PRO A 32 -12.740 10.791 2.025 1.00 0.00 C ATOM 458 O PRO A 32 -13.104 11.460 2.997 1.00 0.00 O ATOM 459 CB PRO A 32 -11.096 12.669 1.323 1.00 0.00 C ATOM 460 CG PRO A 32 -11.989 13.736 0.690 1.00 0.00 C ATOM 461 CD PRO A 32 -12.705 13.016 -0.450 1.00 0.00 C ATOM 0 HA PRO A 32 -11.004 10.556 0.910 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.025 12.803 2.402 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.081 12.719 0.929 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -12.699 14.138 1.413 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -11.401 14.576 0.320 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -13.774 13.226 -0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.334 13.360 -1.415 1.00 0.00 H new ATOM 469 N GLY A 33 -13.145 9.544 1.826 1.00 0.00 N ATOM 470 CA GLY A 33 -14.019 8.753 2.671 1.00 0.00 C ATOM 471 C GLY A 33 -14.506 7.485 1.959 1.00 0.00 C ATOM 472 O GLY A 33 -15.105 6.620 2.605 1.00 0.00 O ATOM 0 H GLY A 33 -12.845 9.021 1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.490 8.477 3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -14.878 9.354 2.970 1.00 0.00 H new ATOM 476 N GLN A 34 -14.269 7.349 0.650 1.00 0.00 N ATOM 477 CA GLN A 34 -14.704 6.188 -0.121 1.00 0.00 C ATOM 478 C GLN A 34 -13.850 4.955 0.217 1.00 0.00 C ATOM 479 O GLN A 34 -12.715 5.097 0.682 1.00 0.00 O ATOM 480 CB GLN A 34 -14.638 6.526 -1.621 1.00 0.00 C ATOM 481 CG GLN A 34 -15.772 7.478 -2.007 1.00 0.00 C ATOM 482 CD GLN A 34 -17.078 6.803 -2.389 1.00 0.00 C ATOM 483 OE1 GLN A 34 -17.404 5.727 -1.904 1.00 0.00 O ATOM 484 NE2 GLN A 34 -17.895 7.453 -3.191 1.00 0.00 N ATOM 0 H GLN A 34 -13.768 8.045 0.097 1.00 0.00 H new ATOM 0 HA GLN A 34 -15.734 5.943 0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.676 6.983 -1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.707 5.611 -2.209 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -15.960 8.152 -1.171 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.440 8.093 -2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -17.613 8.349 -3.589 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -18.810 7.061 -3.414 1.00 0.00 H new ATOM 493 N PRO A 35 -14.356 3.740 -0.034 1.00 0.00 N ATOM 494 CA PRO A 35 -13.595 2.519 0.151 1.00 0.00 C ATOM 495 C PRO A 35 -12.531 2.426 -0.932 1.00 0.00 C ATOM 496 O PRO A 35 -12.809 2.682 -2.107 1.00 0.00 O ATOM 497 CB PRO A 35 -14.607 1.373 0.058 1.00 0.00 C ATOM 498 CG PRO A 35 -15.890 1.975 -0.534 1.00 0.00 C ATOM 499 CD PRO A 35 -15.609 3.472 -0.717 1.00 0.00 C ATOM 0 HA PRO A 35 -13.078 2.484 1.110 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.227 0.570 -0.574 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.798 0.942 1.041 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.138 1.505 -1.486 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.739 1.816 0.131 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -15.537 3.727 -1.774 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.416 4.073 -0.298 1.00 0.00 H new ATOM 507 N ILE A 36 -11.328 2.017 -0.550 1.00 0.00 N ATOM 508 CA ILE A 36 -10.218 1.824 -1.463 1.00 0.00 C ATOM 509 C ILE A 36 -9.974 0.333 -1.546 1.00 0.00 C ATOM 510 O ILE A 36 -9.272 -0.234 -0.718 1.00 0.00 O ATOM 511 CB ILE A 36 -8.985 2.643 -1.026 1.00 0.00 C ATOM 512 CG1 ILE A 36 -9.343 4.146 -1.047 1.00 0.00 C ATOM 513 CG2 ILE A 36 -7.818 2.351 -1.990 1.00 0.00 C ATOM 514 CD1 ILE A 36 -8.174 5.104 -0.799 1.00 0.00 C ATOM 0 H ILE A 36 -11.096 1.807 0.421 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.445 2.198 -2.461 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.685 2.366 -0.015 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.786 4.383 -2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.108 4.330 -0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.943 2.926 -1.687 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.580 1.288 -1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.104 2.632 -3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.533 6.133 -0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.742 4.904 0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.415 4.958 -1.567 1.00 0.00 H new ATOM 526 N LEU A 37 -10.580 -0.317 -2.531 1.00 0.00 N ATOM 527 CA LEU A 37 -10.319 -1.719 -2.803 1.00 0.00 C ATOM 528 C LEU A 37 -9.165 -1.862 -3.785 1.00 0.00 C ATOM 529 O LEU A 37 -8.893 -0.984 -4.609 1.00 0.00 O ATOM 530 CB LEU A 37 -11.569 -2.466 -3.298 1.00 0.00 C ATOM 531 CG LEU A 37 -12.879 -2.128 -2.558 1.00 0.00 C ATOM 532 CD1 LEU A 37 -14.008 -3.057 -3.016 1.00 0.00 C ATOM 533 CD2 LEU A 37 -12.764 -2.219 -1.041 1.00 0.00 C ATOM 0 H LEU A 37 -11.261 0.111 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.036 -2.186 -1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -11.704 -2.250 -4.358 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.389 -3.538 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.099 -1.091 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.925 -2.805 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.166 -2.937 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.737 -4.091 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.723 -1.968 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.483 -3.233 -0.758 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.004 -1.521 -0.691 1.00 0.00 H new ATOM 545 N ILE A 38 -8.523 -3.023 -3.727 1.00 0.00 N ATOM 546 CA ILE A 38 -7.701 -3.575 -4.781 1.00 0.00 C ATOM 547 C ILE A 38 -8.636 -3.670 -5.991 1.00 0.00 C ATOM 548 O ILE A 38 -9.582 -4.461 -5.992 1.00 0.00 O ATOM 549 CB ILE A 38 -7.147 -4.945 -4.338 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.275 -4.836 -3.067 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.368 -5.633 -5.472 1.00 0.00 C ATOM 552 CD1 ILE A 38 -4.977 -4.035 -3.226 1.00 0.00 C ATOM 0 H ILE A 38 -8.567 -3.626 -2.906 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.827 -2.969 -5.022 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.010 -5.565 -4.093 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.870 -4.378 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.022 -5.842 -2.733 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.993 -6.595 -5.124 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.029 -5.788 -6.325 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.530 -5.004 -5.772 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.440 -4.020 -2.277 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.353 -4.501 -3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.214 -3.014 -3.525 1.00 0.00 H new ATOM 564 N GLY A 39 -8.444 -2.802 -6.980 1.00 0.00 N ATOM 565 CA GLY A 39 -9.381 -2.623 -8.073 1.00 0.00 C ATOM 566 C GLY A 39 -9.389 -3.828 -8.998 1.00 0.00 C ATOM 567 O GLY A 39 -10.459 -4.249 -9.441 1.00 0.00 O ATOM 0 H GLY A 39 -7.624 -2.199 -7.041 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.382 -2.462 -7.673 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.116 -1.730 -8.639 1.00 0.00 H new ATOM 571 N ALA A 40 -8.207 -4.377 -9.285 1.00 0.00 N ATOM 572 CA ALA A 40 -7.986 -5.654 -9.947 1.00 0.00 C ATOM 573 C ALA A 40 -6.560 -6.106 -9.616 1.00 0.00 C ATOM 574 O ALA A 40 -5.791 -5.341 -9.023 1.00 0.00 O ATOM 575 CB ALA A 40 -8.159 -5.493 -11.460 1.00 0.00 C ATOM 0 H ALA A 40 -7.331 -3.912 -9.046 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.706 -6.397 -9.604 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.992 -6.453 -11.949 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.170 -5.146 -11.676 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.438 -4.765 -11.833 1.00 0.00 H new ATOM 581 N VAL A 41 -6.173 -7.303 -10.052 1.00 0.00 N ATOM 582 CA VAL A 41 -4.820 -7.823 -9.897 1.00 0.00 C ATOM 583 C VAL A 41 -4.321 -8.221 -11.292 1.00 0.00 C ATOM 584 O VAL A 41 -5.109 -8.534 -12.191 1.00 0.00 O ATOM 585 CB VAL A 41 -4.807 -8.942 -8.827 1.00 0.00 C ATOM 586 CG1 VAL A 41 -3.390 -9.476 -8.569 1.00 0.00 C ATOM 587 CG2 VAL A 41 -5.354 -8.428 -7.478 1.00 0.00 C ATOM 0 H VAL A 41 -6.802 -7.948 -10.530 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.117 -7.084 -9.513 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.437 -9.739 -9.222 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.429 -10.259 -7.812 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.981 -9.885 -9.493 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.753 -8.664 -8.219 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.333 -9.235 -6.746 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.736 -7.602 -7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.380 -8.083 -7.609 1.00 0.00 H new ATOM 597 N ILE A 42 -3.014 -8.116 -11.529 1.00 0.00 N ATOM 598 CA ILE A 42 -2.413 -8.441 -12.805 1.00 0.00 C ATOM 599 C ILE A 42 -2.056 -9.919 -12.772 1.00 0.00 C ATOM 600 O ILE A 42 -1.152 -10.303 -12.031 1.00 0.00 O ATOM 601 CB ILE A 42 -1.189 -7.546 -13.057 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.545 -6.046 -12.976 1.00 0.00 C ATOM 603 CG2 ILE A 42 -0.584 -7.909 -14.417 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.537 -5.544 -14.037 1.00 0.00 C ATOM 0 H ILE A 42 -2.343 -7.799 -10.829 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.101 -8.257 -13.630 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.452 -7.724 -12.274 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.961 -5.842 -11.989 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.625 -5.467 -13.060 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.286 -7.280 -14.608 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.281 -8.956 -14.413 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.326 -7.749 -15.200 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.718 -4.479 -13.891 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.121 -5.708 -15.031 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.477 -6.088 -13.943 1.00 0.00 H new ATOM 616 N ALA A 43 -2.741 -10.717 -13.595 1.00 0.00 N ATOM 617 CA ALA A 43 -2.657 -12.172 -13.603 1.00 0.00 C ATOM 618 C ALA A 43 -1.227 -12.700 -13.557 1.00 0.00 C ATOM 619 O ALA A 43 -0.887 -13.477 -12.673 1.00 0.00 O ATOM 620 CB ALA A 43 -3.400 -12.727 -14.822 1.00 0.00 C ATOM 0 H ALA A 43 -3.388 -10.353 -14.294 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.133 -12.521 -12.687 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.334 -13.815 -14.824 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.447 -12.427 -14.778 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.948 -12.335 -15.733 1.00 0.00 H new ATOM 626 N MET A 44 -0.373 -12.278 -14.491 1.00 0.00 N ATOM 627 CA MET A 44 1.004 -12.761 -14.550 1.00 0.00 C ATOM 628 C MET A 44 1.964 -11.898 -13.725 1.00 0.00 C ATOM 629 O MET A 44 3.162 -12.192 -13.695 1.00 0.00 O ATOM 630 CB MET A 44 1.449 -12.863 -16.012 1.00 0.00 C ATOM 631 CG MET A 44 0.682 -13.996 -16.696 1.00 0.00 C ATOM 632 SD MET A 44 1.327 -14.447 -18.323 1.00 0.00 S ATOM 633 CE MET A 44 0.581 -13.142 -19.328 1.00 0.00 C ATOM 0 H MET A 44 -0.613 -11.602 -15.217 1.00 0.00 H new ATOM 0 HA MET A 44 1.035 -13.753 -14.100 1.00 0.00 H new ATOM 0 HB2 MET A 44 1.264 -11.920 -16.527 1.00 0.00 H new ATOM 0 HB3 MET A 44 2.521 -13.050 -16.065 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.703 -14.875 -16.052 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.363 -13.702 -16.800 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.878 -13.270 -20.369 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.505 -13.199 -19.250 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.920 -12.169 -18.971 1.00 0.00 H new ATOM 643 N GLY A 45 1.480 -10.837 -13.081 1.00 0.00 N ATOM 644 CA GLY A 45 2.308 -9.931 -12.312 1.00 0.00 C ATOM 645 C GLY A 45 2.722 -10.583 -11.001 1.00 0.00 C ATOM 646 O GLY A 45 1.999 -11.399 -10.429 1.00 0.00 O ATOM 0 H GLY A 45 0.491 -10.586 -13.083 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.193 -9.659 -12.887 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.762 -9.009 -12.112 1.00 0.00 H new ATOM 650 N SER A 46 3.866 -10.161 -10.467 1.00 0.00 N ATOM 651 CA SER A 46 4.481 -10.749 -9.282 1.00 0.00 C ATOM 652 C SER A 46 3.619 -10.628 -8.007 1.00 0.00 C ATOM 653 O SER A 46 4.005 -11.194 -6.986 1.00 0.00 O ATOM 654 CB SER A 46 5.888 -10.146 -9.119 1.00 0.00 C ATOM 655 OG SER A 46 6.794 -11.011 -8.460 1.00 0.00 O ATOM 0 H SER A 46 4.402 -9.384 -10.855 1.00 0.00 H new ATOM 0 HA SER A 46 4.562 -11.826 -9.429 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.285 -9.896 -10.103 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.814 -9.214 -8.559 1.00 0.00 H new ATOM 0 HG SER A 46 7.669 -10.575 -8.388 1.00 0.00 H new ATOM 661 N ALA A 47 2.487 -9.907 -8.015 1.00 0.00 N ATOM 662 CA ALA A 47 1.546 -9.894 -6.895 1.00 0.00 C ATOM 663 C ALA A 47 0.653 -11.139 -6.875 1.00 0.00 C ATOM 664 O ALA A 47 0.413 -11.674 -5.796 1.00 0.00 O ATOM 665 CB ALA A 47 0.656 -8.652 -6.958 1.00 0.00 C ATOM 0 H ALA A 47 2.203 -9.319 -8.799 1.00 0.00 H new ATOM 0 HA ALA A 47 2.145 -9.883 -5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.038 -8.659 -6.117 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.276 -7.757 -6.909 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.094 -8.654 -7.892 1.00 0.00 H new ATOM 671 N ASP A 48 0.153 -11.594 -8.026 1.00 0.00 N ATOM 672 CA ASP A 48 -0.799 -12.710 -8.112 1.00 0.00 C ATOM 673 C ASP A 48 -0.121 -14.006 -7.662 1.00 0.00 C ATOM 674 O ASP A 48 -0.551 -14.661 -6.709 1.00 0.00 O ATOM 675 CB ASP A 48 -1.314 -12.817 -9.548 1.00 0.00 C ATOM 676 CG ASP A 48 -2.267 -13.998 -9.719 1.00 0.00 C ATOM 677 OD1 ASP A 48 -1.797 -15.110 -10.038 1.00 0.00 O ATOM 678 OD2 ASP A 48 -3.490 -13.811 -9.522 1.00 0.00 O ATOM 0 H ASP A 48 0.398 -11.197 -8.933 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.648 -12.533 -7.452 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.825 -11.894 -9.821 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.471 -12.928 -10.230 1.00 0.00 H new ATOM 683 N ARG A 49 1.037 -14.301 -8.258 1.00 0.00 N ATOM 684 CA ARG A 49 1.950 -15.348 -7.808 1.00 0.00 C ATOM 685 C ARG A 49 2.496 -15.142 -6.391 1.00 0.00 C ATOM 686 O ARG A 49 3.092 -16.073 -5.856 1.00 0.00 O ATOM 687 CB ARG A 49 3.119 -15.484 -8.796 1.00 0.00 C ATOM 688 CG ARG A 49 3.842 -14.167 -9.079 1.00 0.00 C ATOM 689 CD ARG A 49 5.355 -14.354 -9.282 1.00 0.00 C ATOM 690 NE ARG A 49 6.101 -14.057 -8.041 1.00 0.00 N ATOM 691 CZ ARG A 49 6.407 -14.907 -7.051 1.00 0.00 C ATOM 692 NH1 ARG A 49 6.245 -16.217 -7.178 1.00 0.00 N ATOM 693 NH2 ARG A 49 6.867 -14.417 -5.912 1.00 0.00 N ATOM 0 H ARG A 49 1.371 -13.806 -9.085 1.00 0.00 H new ATOM 0 HA ARG A 49 1.360 -16.264 -7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.836 -16.204 -8.400 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.744 -15.891 -9.735 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.414 -13.706 -9.969 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.673 -13.479 -8.251 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.559 -15.378 -9.596 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.701 -13.700 -10.083 1.00 0.00 H new ATOM 0 HE ARG A 49 6.419 -13.095 -7.925 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.878 -16.604 -8.048 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.487 -16.838 -6.406 1.00 0.00 H new ATOM 0 HH21 ARG A 49 6.983 -13.410 -5.800 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.106 -15.046 -5.146 1.00 0.00 H new ATOM 707 N ASP A 50 2.351 -13.962 -5.778 1.00 0.00 N ATOM 708 CA ASP A 50 2.711 -13.803 -4.364 1.00 0.00 C ATOM 709 C ASP A 50 1.708 -14.516 -3.461 1.00 0.00 C ATOM 710 O ASP A 50 2.027 -14.802 -2.309 1.00 0.00 O ATOM 711 CB ASP A 50 2.846 -12.342 -3.927 1.00 0.00 C ATOM 712 CG ASP A 50 3.817 -12.201 -2.757 1.00 0.00 C ATOM 713 OD1 ASP A 50 5.035 -12.355 -3.020 1.00 0.00 O ATOM 714 OD2 ASP A 50 3.398 -11.841 -1.637 1.00 0.00 O ATOM 0 H ASP A 50 1.994 -13.119 -6.227 1.00 0.00 H new ATOM 0 HA ASP A 50 3.695 -14.261 -4.260 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.194 -11.740 -4.766 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.869 -11.954 -3.640 1.00 0.00 H new ATOM 719 N GLY A 51 0.519 -14.843 -3.973 1.00 0.00 N ATOM 720 CA GLY A 51 -0.387 -15.763 -3.312 1.00 0.00 C ATOM 721 C GLY A 51 -1.154 -15.130 -2.158 1.00 0.00 C ATOM 722 O GLY A 51 -1.396 -15.825 -1.173 1.00 0.00 O ATOM 0 H GLY A 51 0.165 -14.474 -4.856 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.098 -16.150 -4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.181 -16.615 -2.938 1.00 0.00 H new ATOM 726 N ARG A 52 -1.492 -13.834 -2.226 1.00 0.00 N ATOM 727 CA ARG A 52 -2.220 -13.158 -1.149 1.00 0.00 C ATOM 728 C ARG A 52 -3.371 -12.325 -1.694 1.00 0.00 C ATOM 729 O ARG A 52 -4.517 -12.635 -1.378 1.00 0.00 O ATOM 730 CB ARG A 52 -1.291 -12.334 -0.241 1.00 0.00 C ATOM 731 CG ARG A 52 -0.107 -13.151 0.286 1.00 0.00 C ATOM 732 CD ARG A 52 0.593 -12.514 1.496 1.00 0.00 C ATOM 733 NE ARG A 52 1.996 -12.946 1.576 1.00 0.00 N ATOM 734 CZ ARG A 52 2.430 -14.209 1.589 1.00 0.00 C ATOM 735 NH1 ARG A 52 1.628 -15.217 1.923 1.00 0.00 N ATOM 736 NH2 ARG A 52 3.686 -14.454 1.255 1.00 0.00 N ATOM 0 H ARG A 52 -1.270 -13.233 -3.020 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.651 -13.936 -0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.916 -11.474 -0.796 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.863 -11.945 0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.457 -14.145 0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.619 -13.280 -0.516 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.546 -11.428 1.418 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.070 -12.791 2.411 1.00 0.00 H new ATOM 0 HE ARG A 52 2.704 -12.213 1.626 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.657 -15.034 2.177 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.984 -16.173 1.925 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.304 -13.685 0.994 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.037 -15.412 1.259 1.00 0.00 H new ATOM 750 N LEU A 53 -3.078 -11.266 -2.446 1.00 0.00 N ATOM 751 CA LEU A 53 -4.045 -10.258 -2.869 1.00 0.00 C ATOM 752 C LEU A 53 -5.138 -10.863 -3.729 1.00 0.00 C ATOM 753 O LEU A 53 -4.856 -11.675 -4.613 1.00 0.00 O ATOM 754 CB LEU A 53 -3.334 -9.182 -3.709 1.00 0.00 C ATOM 755 CG LEU A 53 -2.598 -8.164 -2.831 1.00 0.00 C ATOM 756 CD1 LEU A 53 -1.440 -7.514 -3.594 1.00 0.00 C ATOM 757 CD2 LEU A 53 -3.566 -7.085 -2.362 1.00 0.00 C ATOM 0 H LEU A 53 -2.135 -11.081 -2.787 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.487 -9.831 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.624 -9.659 -4.384 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.065 -8.664 -4.330 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.192 -8.693 -1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.936 -6.796 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.732 -8.282 -3.905 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.827 -7.000 -4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.035 -6.366 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.988 -6.574 -3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.369 -7.543 -1.784 1.00 0.00 H new ATOM 769 N HIS A 54 -6.352 -10.343 -3.580 1.00 0.00 N ATOM 770 CA HIS A 54 -7.455 -10.538 -4.504 1.00 0.00 C ATOM 771 C HIS A 54 -8.081 -9.185 -4.836 1.00 0.00 C ATOM 772 O HIS A 54 -8.061 -8.266 -4.014 1.00 0.00 O ATOM 773 CB HIS A 54 -8.504 -11.458 -3.880 1.00 0.00 C ATOM 774 CG HIS A 54 -7.958 -12.811 -3.518 1.00 0.00 C ATOM 775 ND1 HIS A 54 -7.614 -13.224 -2.255 1.00 0.00 N ATOM 776 CD2 HIS A 54 -7.713 -13.844 -4.378 1.00 0.00 C ATOM 777 CE1 HIS A 54 -7.228 -14.505 -2.346 1.00 0.00 C ATOM 778 NE2 HIS A 54 -7.283 -14.936 -3.617 1.00 0.00 N ATOM 0 H HIS A 54 -6.600 -9.755 -2.784 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.083 -11.000 -5.418 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -8.909 -10.984 -2.986 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -9.332 -11.581 -4.578 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -7.830 -13.821 -5.451 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -6.914 -15.110 -1.508 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -7.057 -15.870 -3.958 1.00 0.00 H new ATOM 786 N PRO A 55 -8.674 -9.048 -6.030 1.00 0.00 N ATOM 787 CA PRO A 55 -9.585 -7.958 -6.323 1.00 0.00 C ATOM 788 C PRO A 55 -10.679 -7.865 -5.255 1.00 0.00 C ATOM 789 O PRO A 55 -11.184 -8.881 -4.771 1.00 0.00 O ATOM 790 CB PRO A 55 -10.160 -8.262 -7.707 1.00 0.00 C ATOM 791 CG PRO A 55 -9.159 -9.229 -8.332 1.00 0.00 C ATOM 792 CD PRO A 55 -8.580 -9.973 -7.144 1.00 0.00 C ATOM 0 HA PRO A 55 -9.082 -6.991 -6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -11.152 -8.709 -7.636 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.261 -7.355 -8.303 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.644 -9.909 -9.032 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.385 -8.699 -8.887 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.137 -10.888 -6.943 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.546 -10.263 -7.328 1.00 0.00 H new ATOM 800 N GLY A 56 -11.072 -6.642 -4.907 1.00 0.00 N ATOM 801 CA GLY A 56 -12.107 -6.378 -3.918 1.00 0.00 C ATOM 802 C GLY A 56 -11.627 -6.516 -2.468 1.00 0.00 C ATOM 803 O GLY A 56 -12.401 -6.221 -1.551 1.00 0.00 O ATOM 0 H GLY A 56 -10.672 -5.795 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.492 -5.370 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.938 -7.064 -4.083 1.00 0.00 H new ATOM 807 N ASP A 57 -10.371 -6.915 -2.219 1.00 0.00 N ATOM 808 CA ASP A 57 -9.770 -6.771 -0.894 1.00 0.00 C ATOM 809 C ASP A 57 -9.677 -5.272 -0.623 1.00 0.00 C ATOM 810 O ASP A 57 -9.300 -4.519 -1.517 1.00 0.00 O ATOM 811 CB ASP A 57 -8.376 -7.415 -0.804 1.00 0.00 C ATOM 812 CG ASP A 57 -8.374 -8.931 -0.600 1.00 0.00 C ATOM 813 OD1 ASP A 57 -9.268 -9.443 0.119 1.00 0.00 O ATOM 814 OD2 ASP A 57 -7.419 -9.598 -1.045 1.00 0.00 O ATOM 0 H ASP A 57 -9.758 -7.337 -2.917 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.384 -7.284 -0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.827 -7.186 -1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.831 -6.952 0.019 1.00 0.00 H new ATOM 819 N GLU A 58 -10.063 -4.805 0.562 1.00 0.00 N ATOM 820 CA GLU A 58 -10.045 -3.380 0.879 1.00 0.00 C ATOM 821 C GLU A 58 -8.673 -3.049 1.446 1.00 0.00 C ATOM 822 O GLU A 58 -8.240 -3.690 2.396 1.00 0.00 O ATOM 823 CB GLU A 58 -11.165 -3.077 1.865 1.00 0.00 C ATOM 824 CG GLU A 58 -11.579 -1.596 2.003 1.00 0.00 C ATOM 825 CD GLU A 58 -11.454 -1.130 3.466 1.00 0.00 C ATOM 826 OE1 GLU A 58 -11.942 -1.875 4.350 1.00 0.00 O ATOM 827 OE2 GLU A 58 -10.898 -0.050 3.756 1.00 0.00 O ATOM 0 H GLU A 58 -10.394 -5.398 1.323 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.215 -2.765 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.044 -3.651 1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.862 -3.440 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.950 -0.976 1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.606 -1.467 1.661 1.00 0.00 H new ATOM 834 N LEU A 59 -7.971 -2.104 0.837 1.00 0.00 N ATOM 835 CA LEU A 59 -6.695 -1.593 1.306 1.00 0.00 C ATOM 836 C LEU A 59 -6.930 -0.720 2.530 1.00 0.00 C ATOM 837 O LEU A 59 -7.865 0.077 2.565 1.00 0.00 O ATOM 838 CB LEU A 59 -5.991 -0.771 0.208 1.00 0.00 C ATOM 839 CG LEU A 59 -4.873 -1.542 -0.510 1.00 0.00 C ATOM 840 CD1 LEU A 59 -4.235 -0.654 -1.577 1.00 0.00 C ATOM 841 CD2 LEU A 59 -3.741 -1.963 0.439 1.00 0.00 C ATOM 0 H LEU A 59 -8.286 -1.659 -0.025 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.052 -2.435 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.730 -0.451 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.572 0.132 0.653 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.341 -2.430 -0.935 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.443 -1.206 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.992 -0.357 -2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.815 0.235 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.979 -2.504 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.297 -1.076 0.892 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.142 -2.608 1.221 1.00 0.00 H new ATOM 853 N VAL A 60 -6.027 -0.834 3.496 1.00 0.00 N ATOM 854 CA VAL A 60 -6.087 -0.136 4.771 1.00 0.00 C ATOM 855 C VAL A 60 -4.842 0.717 4.921 1.00 0.00 C ATOM 856 O VAL A 60 -4.939 1.920 5.176 1.00 0.00 O ATOM 857 CB VAL A 60 -6.173 -1.134 5.943 1.00 0.00 C ATOM 858 CG1 VAL A 60 -6.562 -0.358 7.202 1.00 0.00 C ATOM 859 CG2 VAL A 60 -7.177 -2.260 5.703 1.00 0.00 C ATOM 0 H VAL A 60 -5.207 -1.434 3.409 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.980 0.489 4.790 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.198 -1.610 6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.629 -1.044 8.046 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.807 0.400 7.410 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.528 0.124 7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.189 -2.927 6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.171 -1.837 5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.889 -2.821 4.814 1.00 0.00 H new ATOM 869 N TYR A 61 -3.684 0.081 4.755 1.00 0.00 N ATOM 870 CA TYR A 61 -2.386 0.690 4.895 1.00 0.00 C ATOM 871 C TYR A 61 -1.581 0.335 3.661 1.00 0.00 C ATOM 872 O TYR A 61 -1.724 -0.760 3.113 1.00 0.00 O ATOM 873 CB TYR A 61 -1.680 0.190 6.161 1.00 0.00 C ATOM 874 CG TYR A 61 -2.359 0.541 7.468 1.00 0.00 C ATOM 875 CD1 TYR A 61 -2.118 1.796 8.049 1.00 0.00 C ATOM 876 CD2 TYR A 61 -3.219 -0.372 8.106 1.00 0.00 C ATOM 877 CE1 TYR A 61 -2.760 2.169 9.242 1.00 0.00 C ATOM 878 CE2 TYR A 61 -3.828 -0.032 9.325 1.00 0.00 C ATOM 879 CZ TYR A 61 -3.608 1.240 9.894 1.00 0.00 C ATOM 880 OH TYR A 61 -4.187 1.561 11.085 1.00 0.00 O ATOM 0 H TYR A 61 -3.635 -0.908 4.511 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.486 1.771 4.989 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.587 -0.894 6.100 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.669 0.596 6.177 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.432 2.482 7.574 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.411 -1.336 7.658 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.608 3.154 9.658 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.465 -0.745 9.827 1.00 0.00 H new ATOM 0 HH TYR A 61 -4.738 0.812 11.393 1.00 0.00 H new ATOM 890 N VAL A 62 -0.724 1.261 3.260 1.00 0.00 N ATOM 891 CA VAL A 62 0.277 1.081 2.234 1.00 0.00 C ATOM 892 C VAL A 62 1.551 1.631 2.845 1.00 0.00 C ATOM 893 O VAL A 62 1.566 2.774 3.295 1.00 0.00 O ATOM 894 CB VAL A 62 -0.137 1.795 0.933 1.00 0.00 C ATOM 895 CG1 VAL A 62 1.049 1.913 -0.040 1.00 0.00 C ATOM 896 CG2 VAL A 62 -1.297 1.038 0.267 1.00 0.00 C ATOM 0 H VAL A 62 -0.711 2.198 3.662 1.00 0.00 H new ATOM 0 HA VAL A 62 0.410 0.040 1.940 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.464 2.803 1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.725 2.421 -0.948 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.850 2.484 0.430 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.414 0.917 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.584 1.548 -0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.982 0.021 0.034 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.149 1.007 0.946 1.00 0.00 H new ATOM 906 N ASP A 63 2.604 0.820 2.889 1.00 0.00 N ATOM 907 CA ASP A 63 3.912 1.137 3.464 1.00 0.00 C ATOM 908 C ASP A 63 3.829 1.431 4.972 1.00 0.00 C ATOM 909 O ASP A 63 4.790 1.920 5.574 1.00 0.00 O ATOM 910 CB ASP A 63 4.606 2.260 2.655 1.00 0.00 C ATOM 911 CG ASP A 63 6.079 1.978 2.323 1.00 0.00 C ATOM 912 OD1 ASP A 63 6.477 0.795 2.195 1.00 0.00 O ATOM 913 OD2 ASP A 63 6.842 2.936 2.064 1.00 0.00 O ATOM 0 H ASP A 63 2.569 -0.125 2.506 1.00 0.00 H new ATOM 0 HA ASP A 63 4.543 0.252 3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.059 2.414 1.725 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.544 3.191 3.219 1.00 0.00 H new ATOM 918 N GLY A 64 2.706 1.084 5.610 1.00 0.00 N ATOM 919 CA GLY A 64 2.387 1.380 7.001 1.00 0.00 C ATOM 920 C GLY A 64 1.615 2.693 7.159 1.00 0.00 C ATOM 921 O GLY A 64 1.360 3.115 8.290 1.00 0.00 O ATOM 0 H GLY A 64 1.963 0.564 5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.797 0.563 7.417 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.310 1.433 7.579 1.00 0.00 H new ATOM 925 N ILE A 65 1.261 3.377 6.068 1.00 0.00 N ATOM 926 CA ILE A 65 0.558 4.653 6.055 1.00 0.00 C ATOM 927 C ILE A 65 -0.914 4.382 5.731 1.00 0.00 C ATOM 928 O ILE A 65 -1.200 3.679 4.760 1.00 0.00 O ATOM 929 CB ILE A 65 1.182 5.582 5.002 1.00 0.00 C ATOM 930 CG1 ILE A 65 2.702 5.418 4.816 1.00 0.00 C ATOM 931 CG2 ILE A 65 0.805 7.034 5.319 1.00 0.00 C ATOM 932 CD1 ILE A 65 3.613 5.637 6.019 1.00 0.00 C ATOM 0 H ILE A 65 1.468 3.037 5.129 1.00 0.00 H new ATOM 0 HA ILE A 65 0.637 5.143 7.025 1.00 0.00 H new ATOM 0 HB ILE A 65 0.764 5.288 4.039 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.883 4.410 4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.016 6.108 4.033 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.246 7.696 4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.280 7.140 5.302 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.180 7.300 6.307 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.651 5.484 5.722 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.488 6.654 6.390 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.353 4.929 6.806 1.00 0.00 H new ATOM 944 N PRO A 66 -1.857 4.851 6.559 1.00 0.00 N ATOM 945 CA PRO A 66 -3.271 4.583 6.385 1.00 0.00 C ATOM 946 C PRO A 66 -3.781 5.352 5.176 1.00 0.00 C ATOM 947 O PRO A 66 -3.772 6.582 5.160 1.00 0.00 O ATOM 948 CB PRO A 66 -3.972 5.005 7.677 1.00 0.00 C ATOM 949 CG PRO A 66 -2.956 5.906 8.375 1.00 0.00 C ATOM 950 CD PRO A 66 -1.609 5.618 7.755 1.00 0.00 C ATOM 0 HA PRO A 66 -3.469 3.527 6.199 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.901 5.537 7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.228 4.142 8.292 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.222 6.956 8.250 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.937 5.708 9.447 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -1.086 6.545 7.519 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.976 5.062 8.447 1.00 0.00 H new ATOM 958 N VAL A 67 -4.265 4.626 4.174 1.00 0.00 N ATOM 959 CA VAL A 67 -4.945 5.223 3.031 1.00 0.00 C ATOM 960 C VAL A 67 -6.388 5.618 3.385 1.00 0.00 C ATOM 961 O VAL A 67 -7.056 6.297 2.605 1.00 0.00 O ATOM 962 CB VAL A 67 -4.859 4.270 1.824 1.00 0.00 C ATOM 963 CG1 VAL A 67 -3.388 4.021 1.447 1.00 0.00 C ATOM 964 CG2 VAL A 67 -5.514 2.896 2.011 1.00 0.00 C ATOM 0 H VAL A 67 -4.197 3.609 4.131 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.444 6.151 2.754 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.417 4.788 1.044 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.341 3.346 0.593 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.913 4.968 1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.866 3.573 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.394 2.309 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.039 2.377 2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.576 3.025 2.222 1.00 0.00 H new ATOM 974 N ALA A 68 -6.862 5.205 4.567 1.00 0.00 N ATOM 975 CA ALA A 68 -8.241 5.333 4.998 1.00 0.00 C ATOM 976 C ALA A 68 -8.599 6.811 5.148 1.00 0.00 C ATOM 977 O ALA A 68 -8.042 7.498 6.009 1.00 0.00 O ATOM 978 CB ALA A 68 -8.430 4.566 6.312 1.00 0.00 C ATOM 0 H ALA A 68 -6.268 4.759 5.266 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.912 4.905 4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.465 4.658 6.642 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.191 3.514 6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.769 4.980 7.073 1.00 0.00 H new ATOM 984 N GLY A 69 -9.535 7.296 4.334 1.00 0.00 N ATOM 985 CA GLY A 69 -10.014 8.674 4.370 1.00 0.00 C ATOM 986 C GLY A 69 -9.311 9.592 3.368 1.00 0.00 C ATOM 987 O GLY A 69 -9.560 10.799 3.384 1.00 0.00 O ATOM 0 H GLY A 69 -9.990 6.730 3.618 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.085 8.683 4.169 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -9.875 9.072 5.375 1.00 0.00 H new ATOM 991 N LYS A 70 -8.412 9.083 2.519 1.00 0.00 N ATOM 992 CA LYS A 70 -7.753 9.783 1.441 1.00 0.00 C ATOM 993 C LYS A 70 -8.334 9.300 0.116 1.00 0.00 C ATOM 994 O LYS A 70 -9.214 8.440 0.094 1.00 0.00 O ATOM 995 CB LYS A 70 -6.247 9.545 1.549 1.00 0.00 C ATOM 996 CG LYS A 70 -5.692 9.453 2.972 1.00 0.00 C ATOM 997 CD LYS A 70 -5.795 10.779 3.732 1.00 0.00 C ATOM 998 CE LYS A 70 -4.637 10.841 4.726 1.00 0.00 C ATOM 999 NZ LYS A 70 -4.462 12.186 5.298 1.00 0.00 N ATOM 0 H LYS A 70 -8.115 8.109 2.581 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.919 10.859 1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.005 8.621 1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.732 10.352 1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.233 8.682 3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.648 9.142 2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.749 11.620 3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.750 10.847 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.813 10.127 5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.716 10.538 4.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.665 12.178 5.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.267 12.865 4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.330 12.466 5.798 1.00 0.00 H new ATOM 1013 N THR A 71 -7.865 9.857 -0.988 1.00 0.00 N ATOM 1014 CA THR A 71 -8.399 9.505 -2.307 1.00 0.00 C ATOM 1015 C THR A 71 -7.538 8.414 -2.960 1.00 0.00 C ATOM 1016 O THR A 71 -6.526 7.997 -2.401 1.00 0.00 O ATOM 1017 CB THR A 71 -8.566 10.763 -3.174 1.00 0.00 C ATOM 1018 OG1 THR A 71 -7.318 11.280 -3.590 1.00 0.00 O ATOM 1019 CG2 THR A 71 -9.359 11.875 -2.482 1.00 0.00 C ATOM 0 H THR A 71 -7.119 10.552 -1.005 1.00 0.00 H new ATOM 0 HA THR A 71 -9.397 9.080 -2.198 1.00 0.00 H new ATOM 0 HB THR A 71 -9.136 10.434 -4.043 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.462 12.078 -4.140 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.440 12.733 -3.149 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.357 11.511 -2.236 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.846 12.173 -1.568 1.00 0.00 H new ATOM 1027 N HIS A 72 -7.886 7.977 -4.171 1.00 0.00 N ATOM 1028 CA HIS A 72 -7.053 7.117 -5.013 1.00 0.00 C ATOM 1029 C HIS A 72 -5.633 7.675 -5.128 1.00 0.00 C ATOM 1030 O HIS A 72 -4.661 6.990 -4.802 1.00 0.00 O ATOM 1031 CB HIS A 72 -7.725 6.969 -6.386 1.00 0.00 C ATOM 1032 CG HIS A 72 -6.860 6.401 -7.486 1.00 0.00 C ATOM 1033 ND1 HIS A 72 -6.555 7.051 -8.660 1.00 0.00 N ATOM 1034 CD2 HIS A 72 -6.300 5.152 -7.549 1.00 0.00 C ATOM 1035 CE1 HIS A 72 -5.809 6.226 -9.408 1.00 0.00 C ATOM 1036 NE2 HIS A 72 -5.641 5.049 -8.782 1.00 0.00 N ATOM 0 H HIS A 72 -8.777 8.217 -4.604 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.962 6.130 -4.559 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.601 6.331 -6.273 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.083 7.949 -6.701 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -6.846 7.995 -8.916 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.356 4.387 -6.788 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.401 6.472 -10.377 1.00 0.00 H new ATOM 1044 N ARG A 73 -5.489 8.934 -5.554 1.00 0.00 N ATOM 1045 CA ARG A 73 -4.189 9.533 -5.808 1.00 0.00 C ATOM 1046 C ARG A 73 -3.316 9.597 -4.560 1.00 0.00 C ATOM 1047 O ARG A 73 -2.097 9.527 -4.694 1.00 0.00 O ATOM 1048 CB ARG A 73 -4.388 10.921 -6.424 1.00 0.00 C ATOM 1049 CG ARG A 73 -3.172 11.353 -7.246 1.00 0.00 C ATOM 1050 CD ARG A 73 -2.950 10.491 -8.503 1.00 0.00 C ATOM 1051 NE ARG A 73 -2.899 11.332 -9.706 1.00 0.00 N ATOM 1052 CZ ARG A 73 -3.820 11.392 -10.674 1.00 0.00 C ATOM 1053 NH1 ARG A 73 -4.723 10.434 -10.810 1.00 0.00 N ATOM 1054 NH2 ARG A 73 -3.826 12.418 -11.511 1.00 0.00 N ATOM 0 H ARG A 73 -6.274 9.560 -5.730 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.652 8.896 -6.511 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.273 10.914 -7.060 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.570 11.648 -5.633 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.295 12.394 -7.545 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.282 11.305 -6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.021 9.930 -8.406 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.755 9.762 -8.597 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.080 11.930 -9.814 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.722 9.638 -10.172 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.420 10.492 -11.552 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.130 13.158 -11.416 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.526 12.468 -12.251 1.00 0.00 H new ATOM 1068 N TYR A 74 -3.921 9.652 -3.369 1.00 0.00 N ATOM 1069 CA TYR A 74 -3.206 9.487 -2.103 1.00 0.00 C ATOM 1070 C TYR A 74 -2.268 8.282 -2.168 1.00 0.00 C ATOM 1071 O TYR A 74 -1.073 8.377 -1.892 1.00 0.00 O ATOM 1072 CB TYR A 74 -4.145 9.334 -0.928 1.00 0.00 C ATOM 1073 CG TYR A 74 -3.382 9.328 0.378 1.00 0.00 C ATOM 1074 CD1 TYR A 74 -3.030 10.542 0.990 1.00 0.00 C ATOM 1075 CD2 TYR A 74 -3.073 8.107 1.003 1.00 0.00 C ATOM 1076 CE1 TYR A 74 -2.331 10.534 2.208 1.00 0.00 C ATOM 1077 CE2 TYR A 74 -2.414 8.097 2.241 1.00 0.00 C ATOM 1078 CZ TYR A 74 -2.016 9.310 2.842 1.00 0.00 C ATOM 1079 OH TYR A 74 -1.425 9.299 4.067 1.00 0.00 O ATOM 0 H TYR A 74 -4.922 9.813 -3.257 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.625 10.397 -1.950 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.868 10.150 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.710 8.407 -1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -3.296 11.480 0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.344 7.175 0.529 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.033 11.467 2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.211 7.159 2.735 1.00 0.00 H new ATOM 0 HH TYR A 74 -1.919 8.699 4.663 1.00 0.00 H new ATOM 1089 N VAL A 75 -2.851 7.142 -2.528 1.00 0.00 N ATOM 1090 CA VAL A 75 -2.212 5.844 -2.555 1.00 0.00 C ATOM 1091 C VAL A 75 -1.246 5.762 -3.726 1.00 0.00 C ATOM 1092 O VAL A 75 -0.176 5.187 -3.577 1.00 0.00 O ATOM 1093 CB VAL A 75 -3.294 4.750 -2.658 1.00 0.00 C ATOM 1094 CG1 VAL A 75 -2.653 3.403 -2.317 1.00 0.00 C ATOM 1095 CG2 VAL A 75 -4.477 5.023 -1.717 1.00 0.00 C ATOM 0 H VAL A 75 -3.827 7.104 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.643 5.694 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.689 4.742 -3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.404 2.615 -2.384 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.846 3.196 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.253 3.437 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.216 4.228 -1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.122 5.056 -0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.933 5.979 -1.974 1.00 0.00 H new ATOM 1105 N ILE A 76 -1.565 6.359 -4.872 1.00 0.00 N ATOM 1106 CA ILE A 76 -0.637 6.423 -5.997 1.00 0.00 C ATOM 1107 C ILE A 76 0.658 7.103 -5.571 1.00 0.00 C ATOM 1108 O ILE A 76 1.732 6.633 -5.952 1.00 0.00 O ATOM 1109 CB ILE A 76 -1.321 7.121 -7.189 1.00 0.00 C ATOM 1110 CG1 ILE A 76 -2.544 6.299 -7.663 1.00 0.00 C ATOM 1111 CG2 ILE A 76 -0.358 7.444 -8.348 1.00 0.00 C ATOM 1112 CD1 ILE A 76 -2.262 4.827 -8.002 1.00 0.00 C ATOM 0 H ILE A 76 -2.464 6.808 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.367 5.418 -6.322 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.670 8.090 -6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.307 6.335 -6.885 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.965 6.782 -8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.907 7.934 -9.152 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.431 8.106 -7.992 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.085 6.521 -8.721 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.185 4.344 -8.323 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.526 4.773 -8.805 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.874 4.318 -7.120 1.00 0.00 H new ATOM 1124 N ASP A 77 0.561 8.169 -4.780 1.00 0.00 N ATOM 1125 CA ASP A 77 1.712 8.904 -4.277 1.00 0.00 C ATOM 1126 C ASP A 77 2.528 8.058 -3.292 1.00 0.00 C ATOM 1127 O ASP A 77 3.748 8.178 -3.234 1.00 0.00 O ATOM 1128 CB ASP A 77 1.223 10.195 -3.613 1.00 0.00 C ATOM 1129 CG ASP A 77 2.220 11.325 -3.814 1.00 0.00 C ATOM 1130 OD1 ASP A 77 2.297 11.829 -4.959 1.00 0.00 O ATOM 1131 OD2 ASP A 77 2.887 11.732 -2.837 1.00 0.00 O ATOM 0 H ASP A 77 -0.333 8.549 -4.468 1.00 0.00 H new ATOM 0 HA ASP A 77 2.371 9.148 -5.110 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.257 10.479 -4.031 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.072 10.025 -2.547 1.00 0.00 H new ATOM 1136 N LEU A 78 1.873 7.164 -2.545 1.00 0.00 N ATOM 1137 CA LEU A 78 2.522 6.234 -1.627 1.00 0.00 C ATOM 1138 C LEU A 78 3.202 5.100 -2.393 1.00 0.00 C ATOM 1139 O LEU A 78 4.388 4.851 -2.199 1.00 0.00 O ATOM 1140 CB LEU A 78 1.490 5.682 -0.631 1.00 0.00 C ATOM 1141 CG LEU A 78 1.124 6.651 0.505 1.00 0.00 C ATOM 1142 CD1 LEU A 78 0.089 5.961 1.392 1.00 0.00 C ATOM 1143 CD2 LEU A 78 2.327 7.062 1.362 1.00 0.00 C ATOM 0 H LEU A 78 0.858 7.068 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 78 3.294 6.767 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.583 5.419 -1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.879 4.761 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 78 0.736 7.565 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.191 6.626 2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.795 5.721 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.513 5.043 1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.999 7.746 2.145 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.770 6.176 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.068 7.557 0.735 1.00 0.00 H new ATOM 1155 N MET A 79 2.480 4.429 -3.293 1.00 0.00 N ATOM 1156 CA MET A 79 3.005 3.369 -4.146 1.00 0.00 C ATOM 1157 C MET A 79 4.214 3.857 -4.937 1.00 0.00 C ATOM 1158 O MET A 79 5.176 3.117 -5.106 1.00 0.00 O ATOM 1159 CB MET A 79 1.909 2.890 -5.112 1.00 0.00 C ATOM 1160 CG MET A 79 0.785 2.116 -4.417 1.00 0.00 C ATOM 1161 SD MET A 79 1.296 0.689 -3.425 1.00 0.00 S ATOM 1162 CE MET A 79 2.186 -0.273 -4.672 1.00 0.00 C ATOM 0 H MET A 79 1.489 4.615 -3.450 1.00 0.00 H new ATOM 0 HA MET A 79 3.321 2.540 -3.512 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.484 3.753 -5.624 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.359 2.256 -5.876 1.00 0.00 H new ATOM 0 HG2 MET A 79 0.242 2.806 -3.771 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.084 1.772 -5.178 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.428 -1.256 -4.269 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.561 -0.388 -5.557 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.106 0.245 -4.943 1.00 0.00 H new ATOM 1172 N HIS A 80 4.177 5.107 -5.394 1.00 0.00 N ATOM 1173 CA HIS A 80 5.269 5.805 -6.047 1.00 0.00 C ATOM 1174 C HIS A 80 6.509 5.796 -5.154 1.00 0.00 C ATOM 1175 O HIS A 80 7.549 5.281 -5.568 1.00 0.00 O ATOM 1176 CB HIS A 80 4.747 7.211 -6.353 1.00 0.00 C ATOM 1177 CG HIS A 80 5.704 8.287 -6.767 1.00 0.00 C ATOM 1178 ND1 HIS A 80 7.077 8.223 -6.859 1.00 0.00 N ATOM 1179 CD2 HIS A 80 5.310 9.556 -7.088 1.00 0.00 C ATOM 1180 CE1 HIS A 80 7.511 9.444 -7.188 1.00 0.00 C ATOM 1181 NE2 HIS A 80 6.474 10.277 -7.386 1.00 0.00 N ATOM 0 H HIS A 80 3.340 5.684 -5.312 1.00 0.00 H new ATOM 0 HA HIS A 80 5.582 5.325 -6.974 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.002 7.116 -7.143 1.00 0.00 H new ATOM 0 HB3 HIS A 80 4.225 7.565 -5.464 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.297 9.931 -7.108 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.550 9.723 -7.282 1.00 0.00 H new ATOM 0 HE2 HIS A 80 6.525 11.248 -7.694 1.00 0.00 H new ATOM 1189 N HIS A 81 6.417 6.379 -3.959 1.00 0.00 N ATOM 1190 CA HIS A 81 7.494 6.441 -2.990 1.00 0.00 C ATOM 1191 C HIS A 81 8.037 5.041 -2.671 1.00 0.00 C ATOM 1192 O HIS A 81 9.244 4.807 -2.761 1.00 0.00 O ATOM 1193 CB HIS A 81 6.947 7.134 -1.738 1.00 0.00 C ATOM 1194 CG HIS A 81 6.986 8.643 -1.782 1.00 0.00 C ATOM 1195 ND1 HIS A 81 8.103 9.432 -1.954 1.00 0.00 N ATOM 1196 CD2 HIS A 81 5.925 9.478 -1.560 1.00 0.00 C ATOM 1197 CE1 HIS A 81 7.722 10.714 -1.841 1.00 0.00 C ATOM 1198 NE2 HIS A 81 6.401 10.794 -1.603 1.00 0.00 N ATOM 0 H HIS A 81 5.563 6.833 -3.636 1.00 0.00 H new ATOM 0 HA HIS A 81 8.334 7.007 -3.392 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.916 6.815 -1.585 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.517 6.795 -0.873 1.00 0.00 H new ATOM 0 HD2 HIS A 81 4.903 9.176 -1.383 1.00 0.00 H new ATOM 0 HE1 HIS A 81 8.384 11.563 -1.929 1.00 0.00 H new ATOM 0 HE2 HIS A 81 5.854 11.646 -1.478 1.00 0.00 H new ATOM 1206 N ALA A 82 7.158 4.099 -2.332 1.00 0.00 N ATOM 1207 CA ALA A 82 7.520 2.727 -2.002 1.00 0.00 C ATOM 1208 C ALA A 82 8.204 2.024 -3.185 1.00 0.00 C ATOM 1209 O ALA A 82 9.156 1.261 -3.003 1.00 0.00 O ATOM 1210 CB ALA A 82 6.250 2.000 -1.557 1.00 0.00 C ATOM 0 H ALA A 82 6.155 4.275 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 82 8.248 2.717 -1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 82 6.492 0.968 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.832 2.500 -0.684 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.521 2.013 -2.367 1.00 0.00 H new ATOM 1216 N ALA A 83 7.784 2.310 -4.420 1.00 0.00 N ATOM 1217 CA ALA A 83 8.428 1.774 -5.607 1.00 0.00 C ATOM 1218 C ALA A 83 9.850 2.310 -5.785 1.00 0.00 C ATOM 1219 O ALA A 83 10.647 1.636 -6.437 1.00 0.00 O ATOM 1220 CB ALA A 83 7.584 2.036 -6.856 1.00 0.00 C ATOM 0 H ALA A 83 6.990 2.919 -4.618 1.00 0.00 H new ATOM 0 HA ALA A 83 8.507 0.696 -5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.089 1.624 -7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.610 1.561 -6.743 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.451 3.110 -6.986 1.00 0.00 H new ATOM 1226 N ARG A 84 10.207 3.472 -5.224 1.00 0.00 N ATOM 1227 CA ARG A 84 11.611 3.893 -5.183 1.00 0.00 C ATOM 1228 C ARG A 84 12.384 3.006 -4.212 1.00 0.00 C ATOM 1229 O ARG A 84 13.387 2.417 -4.615 1.00 0.00 O ATOM 1230 CB ARG A 84 11.784 5.381 -4.835 1.00 0.00 C ATOM 1231 CG ARG A 84 11.054 6.309 -5.819 1.00 0.00 C ATOM 1232 CD ARG A 84 11.756 7.670 -5.918 1.00 0.00 C ATOM 1233 NE ARG A 84 11.182 8.544 -6.963 1.00 0.00 N ATOM 1234 CZ ARG A 84 11.402 8.453 -8.285 1.00 0.00 C ATOM 1235 NH1 ARG A 84 12.175 7.488 -8.769 1.00 0.00 N ATOM 1236 NH2 ARG A 84 10.866 9.327 -9.133 1.00 0.00 N ATOM 0 H ARG A 84 9.553 4.129 -4.798 1.00 0.00 H new ATOM 0 HA ARG A 84 12.018 3.774 -6.187 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.410 5.560 -3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.846 5.627 -4.829 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.017 5.843 -6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.023 6.451 -5.494 1.00 0.00 H new ATOM 0 HD2 ARG A 84 11.692 8.176 -4.955 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.814 7.512 -6.126 1.00 0.00 H new ATOM 0 HE ARG A 84 10.559 9.288 -6.650 1.00 0.00 H new ATOM 0 HH11 ARG A 84 12.604 6.813 -8.136 1.00 0.00 H new ATOM 0 HH12 ARG A 84 12.340 7.422 -9.773 1.00 0.00 H new ATOM 0 HH21 ARG A 84 10.277 10.082 -8.782 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.044 9.242 -10.134 1.00 0.00 H new ATOM 1250 N ASN A 85 11.855 2.835 -2.988 1.00 0.00 N ATOM 1251 CA ASN A 85 12.481 2.027 -1.934 1.00 0.00 C ATOM 1252 C ASN A 85 12.761 0.623 -2.442 1.00 0.00 C ATOM 1253 O ASN A 85 13.792 0.029 -2.122 1.00 0.00 O ATOM 1254 CB ASN A 85 11.575 1.891 -0.697 1.00 0.00 C ATOM 1255 CG ASN A 85 11.486 3.131 0.168 1.00 0.00 C ATOM 1256 OD1 ASN A 85 12.473 3.830 0.363 1.00 0.00 O ATOM 1257 ND2 ASN A 85 10.311 3.424 0.690 1.00 0.00 N ATOM 0 H ASN A 85 10.972 3.259 -2.703 1.00 0.00 H new ATOM 0 HA ASN A 85 13.402 2.540 -1.658 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.571 1.624 -1.028 1.00 0.00 H new ATOM 0 HB3 ASN A 85 11.940 1.065 -0.086 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.205 4.253 1.275 1.00 0.00 H new ATOM 0 HD22 ASN A 85 9.508 2.822 0.509 1.00 0.00 H new ATOM 1264 N GLY A 86 11.840 0.091 -3.243 1.00 0.00 N ATOM 1265 CA GLY A 86 11.966 -1.203 -3.874 1.00 0.00 C ATOM 1266 C GLY A 86 11.244 -2.295 -3.083 1.00 0.00 C ATOM 1267 O GLY A 86 11.450 -3.479 -3.338 1.00 0.00 O ATOM 0 H GLY A 86 10.967 0.567 -3.471 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.558 -1.156 -4.884 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.021 -1.460 -3.968 1.00 0.00 H new ATOM 1271 N GLN A 87 10.373 -1.935 -2.137 1.00 0.00 N ATOM 1272 CA GLN A 87 9.429 -2.843 -1.497 1.00 0.00 C ATOM 1273 C GLN A 87 8.207 -2.040 -1.066 1.00 0.00 C ATOM 1274 O GLN A 87 8.263 -0.809 -1.023 1.00 0.00 O ATOM 1275 CB GLN A 87 10.068 -3.542 -0.281 1.00 0.00 C ATOM 1276 CG GLN A 87 10.570 -2.577 0.810 1.00 0.00 C ATOM 1277 CD GLN A 87 10.688 -3.280 2.158 1.00 0.00 C ATOM 1278 OE1 GLN A 87 11.763 -3.698 2.568 1.00 0.00 O ATOM 1279 NE2 GLN A 87 9.599 -3.384 2.901 1.00 0.00 N ATOM 0 H GLN A 87 10.306 -0.979 -1.789 1.00 0.00 H new ATOM 0 HA GLN A 87 9.138 -3.620 -2.204 1.00 0.00 H new ATOM 0 HB2 GLN A 87 9.338 -4.221 0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.904 -4.151 -0.624 1.00 0.00 H new ATOM 0 HG2 GLN A 87 11.540 -2.172 0.522 1.00 0.00 H new ATOM 0 HG3 GLN A 87 9.885 -1.733 0.896 1.00 0.00 H new ATOM 0 HE21 GLN A 87 8.708 -3.033 2.551 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.651 -3.815 3.824 1.00 0.00 H new ATOM 1288 N VAL A 88 7.129 -2.724 -0.711 1.00 0.00 N ATOM 1289 CA VAL A 88 5.953 -2.119 -0.113 1.00 0.00 C ATOM 1290 C VAL A 88 5.358 -3.134 0.852 1.00 0.00 C ATOM 1291 O VAL A 88 5.674 -4.330 0.796 1.00 0.00 O ATOM 1292 CB VAL A 88 5.000 -1.648 -1.239 1.00 0.00 C ATOM 1293 CG1 VAL A 88 4.364 -2.820 -2.002 1.00 0.00 C ATOM 1294 CG2 VAL A 88 3.904 -0.695 -0.754 1.00 0.00 C ATOM 0 H VAL A 88 7.048 -3.733 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 88 6.178 -1.224 0.467 1.00 0.00 H new ATOM 0 HB VAL A 88 5.642 -1.093 -1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.705 -2.433 -2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.147 -3.425 -2.458 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.787 -3.434 -1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.274 -0.406 -1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.295 -1.194 0.000 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.361 0.195 -0.321 1.00 0.00 H new ATOM 1304 N ASN A 89 4.466 -2.662 1.709 1.00 0.00 N ATOM 1305 CA ASN A 89 3.556 -3.486 2.475 1.00 0.00 C ATOM 1306 C ASN A 89 2.161 -2.949 2.218 1.00 0.00 C ATOM 1307 O ASN A 89 2.005 -1.754 1.977 1.00 0.00 O ATOM 1308 CB ASN A 89 3.952 -3.483 3.952 1.00 0.00 C ATOM 1309 CG ASN A 89 3.306 -4.642 4.715 1.00 0.00 C ATOM 1310 OD1 ASN A 89 2.458 -5.364 4.207 1.00 0.00 O ATOM 1311 ND2 ASN A 89 3.725 -4.874 5.946 1.00 0.00 N ATOM 0 H ASN A 89 4.355 -1.665 1.893 1.00 0.00 H new ATOM 0 HA ASN A 89 3.592 -4.533 2.173 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.037 -3.551 4.038 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.655 -2.538 4.406 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.342 -5.657 6.476 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.432 -4.271 6.366 1.00 0.00 H new ATOM 1318 N LEU A 90 1.177 -3.829 2.162 1.00 0.00 N ATOM 1319 CA LEU A 90 -0.173 -3.570 1.713 1.00 0.00 C ATOM 1320 C LEU A 90 -1.020 -4.325 2.720 1.00 0.00 C ATOM 1321 O LEU A 90 -1.162 -5.544 2.626 1.00 0.00 O ATOM 1322 CB LEU A 90 -0.382 -4.108 0.281 1.00 0.00 C ATOM 1323 CG LEU A 90 0.621 -3.634 -0.784 1.00 0.00 C ATOM 1324 CD1 LEU A 90 0.555 -4.554 -2.003 1.00 0.00 C ATOM 1325 CD2 LEU A 90 0.356 -2.185 -1.174 1.00 0.00 C ATOM 0 H LEU A 90 1.310 -4.799 2.446 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.421 -2.510 1.665 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.351 -5.197 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.384 -3.828 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 90 1.627 -3.681 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.267 -4.214 -2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.802 -5.573 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.451 -4.532 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.078 -1.873 -1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.652 -2.096 -1.578 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.452 -1.548 -0.295 1.00 0.00 H new ATOM 1337 N THR A 91 -1.524 -3.627 3.725 1.00 0.00 N ATOM 1338 CA THR A 91 -2.402 -4.242 4.700 1.00 0.00 C ATOM 1339 C THR A 91 -3.792 -4.135 4.086 1.00 0.00 C ATOM 1340 O THR A 91 -4.284 -3.018 3.897 1.00 0.00 O ATOM 1341 CB THR A 91 -2.292 -3.527 6.054 1.00 0.00 C ATOM 1342 OG1 THR A 91 -0.927 -3.428 6.434 1.00 0.00 O ATOM 1343 CG2 THR A 91 -3.090 -4.255 7.146 1.00 0.00 C ATOM 0 H THR A 91 -1.339 -2.637 3.884 1.00 0.00 H new ATOM 0 HA THR A 91 -2.148 -5.281 4.910 1.00 0.00 H new ATOM 0 HB THR A 91 -2.716 -2.529 5.943 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.860 -2.970 7.298 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.988 -3.719 8.090 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.142 -4.294 6.863 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.707 -5.269 7.261 1.00 0.00 H new ATOM 1351 N VAL A 92 -4.401 -5.262 3.721 1.00 0.00 N ATOM 1352 CA VAL A 92 -5.772 -5.312 3.229 1.00 0.00 C ATOM 1353 C VAL A 92 -6.686 -5.881 4.318 1.00 0.00 C ATOM 1354 O VAL A 92 -6.200 -6.470 5.280 1.00 0.00 O ATOM 1355 CB VAL A 92 -5.864 -6.113 1.917 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -5.112 -5.443 0.761 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -5.396 -7.570 2.049 1.00 0.00 C ATOM 0 H VAL A 92 -3.949 -6.175 3.760 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.107 -4.301 2.997 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.930 -6.124 1.688 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.211 -6.051 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.532 -4.454 0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.058 -5.347 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.490 -8.071 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.354 -7.590 2.369 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.012 -8.085 2.787 1.00 0.00 H new ATOM 1367 N ARG A 93 -8.012 -5.756 4.195 1.00 0.00 N ATOM 1368 CA ARG A 93 -8.958 -6.342 5.145 1.00 0.00 C ATOM 1369 C ARG A 93 -10.301 -6.638 4.500 1.00 0.00 C ATOM 1370 O ARG A 93 -10.652 -6.001 3.502 1.00 0.00 O ATOM 1371 CB ARG A 93 -9.122 -5.382 6.337 1.00 0.00 C ATOM 1372 CG ARG A 93 -10.046 -4.198 6.080 1.00 0.00 C ATOM 1373 CD ARG A 93 -10.121 -3.200 7.238 1.00 0.00 C ATOM 1374 NE ARG A 93 -10.526 -1.882 6.740 1.00 0.00 N ATOM 1375 CZ ARG A 93 -10.163 -0.693 7.217 1.00 0.00 C ATOM 1376 NH1 ARG A 93 -9.535 -0.595 8.393 1.00 0.00 N ATOM 1377 NH2 ARG A 93 -10.418 0.387 6.486 1.00 0.00 N ATOM 0 H ARG A 93 -8.458 -5.245 3.433 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.562 -7.297 5.490 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.504 -5.945 7.189 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -8.139 -5.004 6.619 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.708 -3.675 5.185 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -11.048 -4.572 5.871 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.834 -3.550 7.985 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.151 -3.129 7.731 1.00 0.00 H new ATOM 0 HE ARG A 93 -11.157 -1.875 5.938 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -9.330 -1.436 8.933 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.261 0.320 8.750 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.882 0.293 5.582 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -10.150 1.310 6.829 1.00 0.00 H new ATOM 1391 N ARG A 94 -11.107 -7.484 5.149 1.00 0.00 N ATOM 1392 CA ARG A 94 -12.536 -7.654 4.871 1.00 0.00 C ATOM 1393 C ARG A 94 -13.268 -8.065 6.141 1.00 0.00 C ATOM 1394 O ARG A 94 -12.718 -8.781 6.983 1.00 0.00 O ATOM 1395 CB ARG A 94 -12.746 -8.717 3.774 1.00 0.00 C ATOM 1396 CG ARG A 94 -12.848 -8.097 2.367 1.00 0.00 C ATOM 1397 CD ARG A 94 -12.171 -8.959 1.310 1.00 0.00 C ATOM 1398 NE ARG A 94 -12.963 -10.144 1.000 1.00 0.00 N ATOM 1399 CZ ARG A 94 -12.659 -11.044 0.069 1.00 0.00 C ATOM 1400 NH1 ARG A 94 -11.464 -11.070 -0.511 1.00 0.00 N ATOM 1401 NH2 ARG A 94 -13.590 -11.926 -0.262 1.00 0.00 N ATOM 0 H ARG A 94 -10.774 -8.086 5.902 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.939 -6.704 4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.919 -9.426 3.796 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.655 -9.280 3.987 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.898 -7.962 2.106 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.392 -7.107 2.374 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -12.020 -8.373 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -11.185 -9.261 1.662 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.816 -10.294 1.539 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.753 -10.389 -0.245 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.257 -11.771 -1.222 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.503 -11.899 0.193 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.394 -12.632 -0.972 1.00 0.00 H new ATOM 1415 N LYS A 95 -14.525 -7.632 6.275 1.00 0.00 N ATOM 1416 CA LYS A 95 -15.490 -8.167 7.229 1.00 0.00 C ATOM 1417 C LYS A 95 -15.579 -9.681 7.136 1.00 0.00 C ATOM 1418 O LYS A 95 -15.502 -10.270 6.054 1.00 0.00 O ATOM 1419 CB LYS A 95 -16.857 -7.520 7.032 1.00 0.00 C ATOM 1420 CG LYS A 95 -17.076 -6.418 8.086 1.00 0.00 C ATOM 1421 CD LYS A 95 -18.534 -6.360 8.503 1.00 0.00 C ATOM 1422 CE LYS A 95 -19.442 -6.115 7.293 1.00 0.00 C ATOM 1423 NZ LYS A 95 -20.872 -6.213 7.627 1.00 0.00 N ATOM 0 H LYS A 95 -14.906 -6.878 5.704 1.00 0.00 H new ATOM 0 HA LYS A 95 -15.141 -7.923 8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -16.926 -7.096 6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -17.640 -8.274 7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.450 -6.611 8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -16.769 -5.454 7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.814 -7.294 8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.675 -5.565 9.235 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -19.236 -5.126 6.883 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -19.205 -6.839 6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -21.441 -6.039 6.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -21.079 -7.164 7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -21.109 -5.505 8.351 1.00 0.00 H new