USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 712 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 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 157:sc= -2.1! USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00437 USER MOD Single : A 25 LYS NZ :NH3+ -107:sc= 0.607 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 28 GLN : amide:sc= -8.44! C(o=-8.4!,f=-24!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -111:sc= -0.477 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.2) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -48:sc= 0.0186 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 51 ASN : amide:sc= -0.0561 X(o=-0.056,f=-0.23) USER MOD Single : A 57 MET CE :methyl 147:sc= -0.419 (180deg=-1.57!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.102 K(o=-0.1,f=-0.93) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.552 X(o=-0.55,f=-0.59!) USER MOD Single : A 73 ASN :FLIP amide:sc= -4.45 F(o=-6.2!,f=-4.4) USER MOD Single : A 75 ASN : amide:sc= -0.0265 K(o=-0.027,f=-1.1) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -2.88! C(o=-3.9!,f=-2.9!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 34:sc= -0.281 USER MOD Single : A 81 TYR OH : rot 140:sc= 0.445 USER MOD Single : A 90 GLN : amide:sc= -0.359 X(o=-0.36,f=-0.38) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.00326 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 10 10.207 -7.445 -3.938 1.00 0.00 N ATOM 104 CA GLY A 10 9.356 -7.693 -2.787 1.00 0.00 C ATOM 105 C GLY A 10 8.508 -6.464 -2.456 1.00 0.00 C ATOM 106 O GLY A 10 8.778 -5.763 -1.481 1.00 0.00 O ATOM 0 HA2 GLY A 10 8.706 -8.544 -2.988 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.970 -7.958 -1.926 1.00 0.00 H new ATOM 110 N LEU A 11 7.501 -6.238 -3.287 1.00 0.00 N ATOM 111 CA LEU A 11 6.612 -5.105 -3.094 1.00 0.00 C ATOM 112 C LEU A 11 5.680 -5.388 -1.914 1.00 0.00 C ATOM 113 O LEU A 11 5.258 -6.525 -1.710 1.00 0.00 O ATOM 114 CB LEU A 11 5.875 -4.776 -4.394 1.00 0.00 C ATOM 115 CG LEU A 11 5.942 -3.318 -4.853 1.00 0.00 C ATOM 116 CD1 LEU A 11 5.190 -2.404 -3.883 1.00 0.00 C ATOM 117 CD2 LEU A 11 7.392 -2.872 -5.053 1.00 0.00 C ATOM 0 H LEU A 11 7.281 -6.820 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 11 7.183 -4.211 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.280 -5.405 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.827 -5.050 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 11 5.445 -3.241 -5.820 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.253 -1.373 -4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.144 -2.707 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.637 -2.479 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.411 -1.832 -5.379 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.935 -2.967 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.864 -3.498 -5.810 1.00 0.00 H new ATOM 129 N ARG A 12 5.387 -4.334 -1.167 1.00 0.00 N ATOM 130 CA ARG A 12 4.513 -4.454 -0.013 1.00 0.00 C ATOM 131 C ARG A 12 3.652 -3.198 0.135 1.00 0.00 C ATOM 132 O ARG A 12 4.146 -2.081 -0.017 1.00 0.00 O ATOM 133 CB ARG A 12 5.321 -4.664 1.270 1.00 0.00 C ATOM 134 CG ARG A 12 6.024 -6.022 1.259 1.00 0.00 C ATOM 135 CD ARG A 12 6.065 -6.630 2.663 1.00 0.00 C ATOM 136 NE ARG A 12 7.441 -7.072 2.982 1.00 0.00 N ATOM 137 CZ ARG A 12 8.011 -8.175 2.480 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.328 -8.955 1.630 1.00 0.00 N ATOM 139 NH2 ARG A 12 9.265 -8.499 2.826 1.00 0.00 N ATOM 0 H ARG A 12 5.740 -3.392 -1.339 1.00 0.00 H new ATOM 0 HA ARG A 12 3.872 -5.321 -0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.060 -3.869 1.373 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.660 -4.599 2.135 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.504 -6.699 0.581 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.039 -5.907 0.879 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.731 -5.896 3.396 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.379 -7.475 2.723 1.00 0.00 H new ATOM 0 HE ARG A 12 7.990 -6.501 3.625 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.374 -8.708 1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.762 -9.795 1.248 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.785 -7.905 3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.699 -9.339 2.443 1.00 0.00 H new ATOM 153 N VAL A 13 2.380 -3.422 0.429 1.00 0.00 N ATOM 154 CA VAL A 13 1.446 -2.322 0.599 1.00 0.00 C ATOM 155 C VAL A 13 0.977 -2.277 2.054 1.00 0.00 C ATOM 156 O VAL A 13 0.234 -3.152 2.498 1.00 0.00 O ATOM 157 CB VAL A 13 0.292 -2.457 -0.398 1.00 0.00 C ATOM 158 CG1 VAL A 13 -0.820 -1.453 -0.088 1.00 0.00 C ATOM 159 CG2 VAL A 13 0.789 -2.299 -1.836 1.00 0.00 C ATOM 0 H VAL A 13 1.974 -4.349 0.554 1.00 0.00 H new ATOM 0 HA VAL A 13 1.933 -1.371 0.385 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.124 -3.459 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.628 -1.570 -0.811 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.203 -1.633 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.423 -0.440 -0.149 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.050 -2.399 -2.524 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.243 -1.316 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.529 -3.070 -2.052 1.00 0.00 H new ATOM 169 N TYR A 14 1.429 -1.249 2.757 1.00 0.00 N ATOM 170 CA TYR A 14 1.065 -1.079 4.153 1.00 0.00 C ATOM 171 C TYR A 14 -0.301 -0.402 4.285 1.00 0.00 C ATOM 172 O TYR A 14 -0.444 0.780 3.977 1.00 0.00 O ATOM 173 CB TYR A 14 2.133 -0.167 4.759 1.00 0.00 C ATOM 174 CG TYR A 14 3.413 -0.897 5.172 1.00 0.00 C ATOM 175 CD1 TYR A 14 4.241 -1.436 4.208 1.00 0.00 C ATOM 176 CD2 TYR A 14 3.740 -1.015 6.507 1.00 0.00 C ATOM 177 CE1 TYR A 14 5.446 -2.123 4.597 1.00 0.00 C ATOM 178 CE2 TYR A 14 4.944 -1.702 6.896 1.00 0.00 C ATOM 179 CZ TYR A 14 5.738 -2.222 5.921 1.00 0.00 C ATOM 180 OH TYR A 14 6.876 -2.870 6.288 1.00 0.00 O ATOM 0 H TYR A 14 2.044 -0.525 2.386 1.00 0.00 H new ATOM 0 HA TYR A 14 1.006 -2.045 4.655 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.386 0.609 4.036 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.715 0.335 5.632 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.986 -1.343 3.163 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.093 -0.592 7.261 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.103 -2.550 3.853 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.211 -1.802 7.938 1.00 0.00 H new ATOM 0 HH TYR A 14 6.956 -2.862 7.265 1.00 0.00 H new ATOM 190 N SER A 15 -1.270 -1.181 4.742 1.00 0.00 N ATOM 191 CA SER A 15 -2.619 -0.672 4.918 1.00 0.00 C ATOM 192 C SER A 15 -3.071 -0.876 6.366 1.00 0.00 C ATOM 193 O SER A 15 -2.312 -1.381 7.191 1.00 0.00 O ATOM 194 CB SER A 15 -3.595 -1.353 3.957 1.00 0.00 C ATOM 195 OG SER A 15 -4.221 -2.489 4.547 1.00 0.00 O ATOM 0 H SER A 15 -1.148 -2.161 4.996 1.00 0.00 H new ATOM 0 HA SER A 15 -2.614 0.394 4.692 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.358 -0.638 3.649 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.063 -1.659 3.057 1.00 0.00 H new ATOM 0 HG SER A 15 -5.066 -2.672 4.087 1.00 0.00 H new ATOM 201 N THR A 16 -4.305 -0.472 6.630 1.00 0.00 N ATOM 202 CA THR A 16 -4.867 -0.605 7.963 1.00 0.00 C ATOM 203 C THR A 16 -6.324 -1.066 7.885 1.00 0.00 C ATOM 204 O THR A 16 -7.118 -0.502 7.134 1.00 0.00 O ATOM 205 CB THR A 16 -4.691 0.733 8.685 1.00 0.00 C ATOM 206 OG1 THR A 16 -5.247 0.506 9.977 1.00 0.00 O ATOM 207 CG2 THR A 16 -5.566 1.838 8.092 1.00 0.00 C ATOM 0 H THR A 16 -4.931 -0.052 5.943 1.00 0.00 H new ATOM 0 HA THR A 16 -4.347 -1.372 8.537 1.00 0.00 H new ATOM 0 HB THR A 16 -3.645 1.035 8.639 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.173 1.323 10.513 1.00 0.00 H new ATOM 0 HG21 THR A 16 -5.403 2.765 8.641 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.305 1.986 7.044 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.615 1.552 8.168 1.00 0.00 H new ATOM 215 N SER A 17 -6.631 -2.087 8.671 1.00 0.00 N ATOM 216 CA SER A 17 -7.978 -2.630 8.701 1.00 0.00 C ATOM 217 C SER A 17 -8.846 -1.825 9.670 1.00 0.00 C ATOM 218 O SER A 17 -9.981 -1.474 9.348 1.00 0.00 O ATOM 219 CB SER A 17 -7.968 -4.107 9.099 1.00 0.00 C ATOM 220 OG SER A 17 -8.271 -4.959 7.998 1.00 0.00 O ATOM 0 H SER A 17 -5.970 -2.553 9.292 1.00 0.00 H new ATOM 0 HA SER A 17 -8.399 -2.555 7.698 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.989 -4.368 9.500 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.693 -4.273 9.896 1.00 0.00 H new ATOM 0 HG SER A 17 -8.253 -5.893 8.293 1.00 0.00 H new ATOM 226 N VAL A 18 -8.280 -1.555 10.837 1.00 0.00 N ATOM 227 CA VAL A 18 -8.988 -0.797 11.855 1.00 0.00 C ATOM 228 C VAL A 18 -8.729 0.696 11.646 1.00 0.00 C ATOM 229 O VAL A 18 -7.662 1.199 11.995 1.00 0.00 O ATOM 230 CB VAL A 18 -8.582 -1.285 13.247 1.00 0.00 C ATOM 231 CG1 VAL A 18 -9.186 -0.398 14.337 1.00 0.00 C ATOM 232 CG2 VAL A 18 -8.977 -2.749 13.451 1.00 0.00 C ATOM 0 H VAL A 18 -7.339 -1.848 11.100 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.063 -0.955 11.770 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.497 -1.216 13.323 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.882 -0.767 15.316 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.834 0.626 14.210 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.273 -0.420 14.263 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.677 -3.071 14.448 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.057 -2.853 13.346 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.479 -3.368 12.705 1.00 0.00 H new ATOM 242 N THR A 19 -9.722 1.363 11.077 1.00 0.00 N ATOM 243 CA THR A 19 -9.615 2.788 10.817 1.00 0.00 C ATOM 244 C THR A 19 -10.993 3.380 10.515 1.00 0.00 C ATOM 245 O THR A 19 -11.856 2.703 9.958 1.00 0.00 O ATOM 246 CB THR A 19 -8.607 2.988 9.684 1.00 0.00 C ATOM 247 OG1 THR A 19 -8.536 4.403 9.528 1.00 0.00 O ATOM 248 CG2 THR A 19 -9.133 2.490 8.337 1.00 0.00 C ATOM 0 H THR A 19 -10.605 0.942 10.789 1.00 0.00 H new ATOM 0 HA THR A 19 -9.251 3.323 11.694 1.00 0.00 H new ATOM 0 HB THR A 19 -7.681 2.467 9.926 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.902 4.622 8.813 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.379 2.656 7.568 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.355 1.425 8.404 1.00 0.00 H new ATOM 0 HG23 THR A 19 -10.041 3.034 8.077 1.00 0.00 H new ATOM 256 N GLY A 20 -11.158 4.639 10.896 1.00 0.00 N ATOM 257 CA GLY A 20 -12.416 5.330 10.673 1.00 0.00 C ATOM 258 C GLY A 20 -12.364 6.164 9.392 1.00 0.00 C ATOM 259 O GLY A 20 -13.244 6.054 8.539 1.00 0.00 O ATOM 0 H GLY A 20 -10.441 5.198 11.358 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.227 4.604 10.606 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.636 5.976 11.523 1.00 0.00 H new ATOM 263 N SER A 21 -11.324 6.980 9.297 1.00 0.00 N ATOM 264 CA SER A 21 -11.146 7.832 8.134 1.00 0.00 C ATOM 265 C SER A 21 -11.295 7.009 6.853 1.00 0.00 C ATOM 266 O SER A 21 -10.418 6.214 6.516 1.00 0.00 O ATOM 267 CB SER A 21 -9.782 8.526 8.163 1.00 0.00 C ATOM 268 OG SER A 21 -9.458 9.012 9.463 1.00 0.00 O ATOM 0 H SER A 21 -10.597 7.069 10.006 1.00 0.00 H new ATOM 0 HA SER A 21 -11.917 8.603 8.154 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.013 7.827 7.835 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.782 9.355 7.455 1.00 0.00 H new ATOM 0 HG SER A 21 -8.580 9.447 9.440 1.00 0.00 H new ATOM 274 N ARG A 22 -12.411 7.227 6.174 1.00 0.00 N ATOM 275 CA ARG A 22 -12.686 6.514 4.938 1.00 0.00 C ATOM 276 C ARG A 22 -11.628 6.850 3.885 1.00 0.00 C ATOM 277 O ARG A 22 -11.231 5.988 3.102 1.00 0.00 O ATOM 278 CB ARG A 22 -14.070 6.872 4.392 1.00 0.00 C ATOM 279 CG ARG A 22 -15.174 6.376 5.328 1.00 0.00 C ATOM 280 CD ARG A 22 -16.444 7.216 5.171 1.00 0.00 C ATOM 281 NE ARG A 22 -17.522 6.666 6.023 1.00 0.00 N ATOM 282 CZ ARG A 22 -18.790 7.099 6.003 1.00 0.00 C ATOM 283 NH1 ARG A 22 -19.146 8.091 5.176 1.00 0.00 N ATOM 284 NH2 ARG A 22 -19.701 6.541 6.811 1.00 0.00 N ATOM 0 H ARG A 22 -13.136 7.887 6.456 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.659 5.447 5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -14.149 7.952 4.271 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.200 6.431 3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -15.396 5.331 5.113 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.828 6.422 6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.242 8.251 5.448 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -16.760 7.221 4.128 1.00 0.00 H new ATOM 0 HE ARG A 22 -17.285 5.910 6.666 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -18.452 8.517 4.562 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.111 8.421 5.161 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -19.430 5.787 7.441 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -20.666 6.871 6.796 1.00 0.00 H new ATOM 298 N GLU A 23 -11.201 8.104 3.900 1.00 0.00 N ATOM 299 CA GLU A 23 -10.197 8.564 2.956 1.00 0.00 C ATOM 300 C GLU A 23 -9.021 7.586 2.913 1.00 0.00 C ATOM 301 O GLU A 23 -8.640 7.115 1.843 1.00 0.00 O ATOM 302 CB GLU A 23 -9.723 9.977 3.305 1.00 0.00 C ATOM 303 CG GLU A 23 -10.238 10.995 2.287 1.00 0.00 C ATOM 304 CD GLU A 23 -11.400 11.808 2.863 1.00 0.00 C ATOM 305 OE1 GLU A 23 -11.105 12.790 3.578 1.00 0.00 O ATOM 306 OE2 GLU A 23 -12.555 11.428 2.576 1.00 0.00 O ATOM 0 H GLU A 23 -11.532 8.816 4.551 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.649 8.602 1.965 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -10.072 10.246 4.302 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.634 10.003 3.331 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.429 11.666 1.997 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.563 10.479 1.384 1.00 0.00 H new ATOM 313 N ILE A 24 -8.479 7.310 4.091 1.00 0.00 N ATOM 314 CA ILE A 24 -7.355 6.397 4.201 1.00 0.00 C ATOM 315 C ILE A 24 -7.657 5.124 3.407 1.00 0.00 C ATOM 316 O ILE A 24 -6.999 4.843 2.406 1.00 0.00 O ATOM 317 CB ILE A 24 -7.017 6.138 5.671 1.00 0.00 C ATOM 318 CG1 ILE A 24 -6.652 7.440 6.387 1.00 0.00 C ATOM 319 CG2 ILE A 24 -5.916 5.084 5.803 1.00 0.00 C ATOM 320 CD1 ILE A 24 -6.247 7.174 7.838 1.00 0.00 C ATOM 0 H ILE A 24 -8.798 7.703 4.977 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.460 6.841 3.765 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.905 5.739 6.160 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.833 7.931 5.861 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.501 8.123 6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.695 4.919 6.857 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.251 4.150 5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.017 5.431 5.294 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.993 8.116 8.323 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.077 6.706 8.367 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.383 6.510 7.859 1.00 0.00 H new ATOM 332 N LYS A 25 -8.651 4.390 3.883 1.00 0.00 N ATOM 333 CA LYS A 25 -9.048 3.155 3.229 1.00 0.00 C ATOM 334 C LYS A 25 -8.993 3.344 1.712 1.00 0.00 C ATOM 335 O LYS A 25 -8.284 2.618 1.017 1.00 0.00 O ATOM 336 CB LYS A 25 -10.414 2.692 3.742 1.00 0.00 C ATOM 337 CG LYS A 25 -10.290 2.039 5.120 1.00 0.00 C ATOM 338 CD LYS A 25 -11.525 1.196 5.441 1.00 0.00 C ATOM 339 CE LYS A 25 -12.399 1.881 6.494 1.00 0.00 C ATOM 340 NZ LYS A 25 -12.594 0.994 7.662 1.00 0.00 N ATOM 0 H LYS A 25 -9.193 4.626 4.714 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.352 2.353 3.475 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.093 3.543 3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.850 1.983 3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.399 1.411 5.150 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.163 2.809 5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.105 1.033 4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.216 0.215 5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.932 2.813 6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.365 2.140 6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.567 0.627 7.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.924 0.200 7.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.428 1.531 8.537 1.00 0.00 H new ATOM 354 N SER A 26 -9.750 4.325 1.243 1.00 0.00 N ATOM 355 CA SER A 26 -9.797 4.619 -0.180 1.00 0.00 C ATOM 356 C SER A 26 -8.382 4.614 -0.761 1.00 0.00 C ATOM 357 O SER A 26 -8.118 3.939 -1.756 1.00 0.00 O ATOM 358 CB SER A 26 -10.473 5.967 -0.441 1.00 0.00 C ATOM 359 OG SER A 26 -11.657 5.827 -1.222 1.00 0.00 O ATOM 0 H SER A 26 -10.336 4.926 1.823 1.00 0.00 H new ATOM 0 HA SER A 26 -10.388 3.845 -0.671 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.719 6.439 0.510 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.776 6.629 -0.955 1.00 0.00 H new ATOM 0 HG SER A 26 -12.060 6.709 -1.366 1.00 0.00 H new ATOM 365 N GLN A 27 -7.508 5.373 -0.117 1.00 0.00 N ATOM 366 CA GLN A 27 -6.127 5.464 -0.558 1.00 0.00 C ATOM 367 C GLN A 27 -5.507 4.069 -0.653 1.00 0.00 C ATOM 368 O GLN A 27 -4.780 3.772 -1.600 1.00 0.00 O ATOM 369 CB GLN A 27 -5.312 6.364 0.374 1.00 0.00 C ATOM 370 CG GLN A 27 -5.674 7.836 0.169 1.00 0.00 C ATOM 371 CD GLN A 27 -5.217 8.684 1.358 1.00 0.00 C ATOM 372 OE1 GLN A 27 -4.380 8.286 2.152 1.00 0.00 O ATOM 373 NE2 GLN A 27 -5.811 9.871 1.436 1.00 0.00 N ATOM 0 H GLN A 27 -7.730 5.931 0.707 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.112 5.915 -1.550 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.496 6.082 1.411 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.248 6.218 0.188 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.209 8.205 -0.745 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.752 7.935 0.040 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.503 10.142 0.738 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.574 10.511 2.194 1.00 0.00 H new ATOM 382 N GLN A 28 -5.817 3.249 0.341 1.00 0.00 N ATOM 383 CA GLN A 28 -5.299 1.892 0.381 1.00 0.00 C ATOM 384 C GLN A 28 -5.912 1.057 -0.744 1.00 0.00 C ATOM 385 O GLN A 28 -5.200 0.353 -1.458 1.00 0.00 O ATOM 386 CB GLN A 28 -5.556 1.248 1.745 1.00 0.00 C ATOM 387 CG GLN A 28 -5.144 2.186 2.881 1.00 0.00 C ATOM 388 CD GLN A 28 -5.282 1.495 4.239 1.00 0.00 C ATOM 389 OE1 GLN A 28 -4.394 1.532 5.076 1.00 0.00 O ATOM 390 NE2 GLN A 28 -6.440 0.866 4.412 1.00 0.00 N ATOM 0 H GLN A 28 -6.420 3.498 1.125 1.00 0.00 H new ATOM 0 HA GLN A 28 -4.220 1.930 0.231 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.613 0.999 1.840 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.000 0.314 1.820 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.113 2.508 2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.764 3.082 2.860 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.141 0.874 3.671 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.628 0.375 5.286 1.00 0.00 H new ATOM 399 N SER A 29 -7.227 1.163 -0.868 1.00 0.00 N ATOM 400 CA SER A 29 -7.944 0.426 -1.895 1.00 0.00 C ATOM 401 C SER A 29 -7.480 0.874 -3.282 1.00 0.00 C ATOM 402 O SER A 29 -7.354 0.057 -4.192 1.00 0.00 O ATOM 403 CB SER A 29 -9.456 0.615 -1.754 1.00 0.00 C ATOM 404 OG SER A 29 -10.138 -0.627 -1.605 1.00 0.00 O ATOM 0 H SER A 29 -7.815 1.748 -0.274 1.00 0.00 H new ATOM 0 HA SER A 29 -7.724 -0.634 -1.771 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.663 1.248 -0.891 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.839 1.136 -2.631 1.00 0.00 H new ATOM 0 HG SER A 29 -11.100 -0.463 -1.516 1.00 0.00 H new ATOM 410 N GLU A 30 -7.237 2.171 -3.399 1.00 0.00 N ATOM 411 CA GLU A 30 -6.788 2.738 -4.659 1.00 0.00 C ATOM 412 C GLU A 30 -5.429 2.156 -5.050 1.00 0.00 C ATOM 413 O GLU A 30 -5.315 1.452 -6.052 1.00 0.00 O ATOM 414 CB GLU A 30 -6.730 4.265 -4.584 1.00 0.00 C ATOM 415 CG GLU A 30 -7.840 4.899 -5.425 1.00 0.00 C ATOM 416 CD GLU A 30 -7.275 5.507 -6.710 1.00 0.00 C ATOM 417 OE1 GLU A 30 -6.207 6.149 -6.612 1.00 0.00 O ATOM 418 OE2 GLU A 30 -7.924 5.317 -7.761 1.00 0.00 O ATOM 0 H GLU A 30 -7.343 2.846 -2.641 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.510 2.472 -5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.827 4.585 -3.547 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.759 4.613 -4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.588 4.146 -5.673 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.345 5.671 -4.845 1.00 0.00 H new ATOM 425 N VAL A 31 -4.431 2.470 -4.237 1.00 0.00 N ATOM 426 CA VAL A 31 -3.083 1.987 -4.484 1.00 0.00 C ATOM 427 C VAL A 31 -3.146 0.532 -4.954 1.00 0.00 C ATOM 428 O VAL A 31 -2.580 0.185 -5.989 1.00 0.00 O ATOM 429 CB VAL A 31 -2.221 2.175 -3.234 1.00 0.00 C ATOM 430 CG1 VAL A 31 -0.835 1.555 -3.425 1.00 0.00 C ATOM 431 CG2 VAL A 31 -2.114 3.654 -2.860 1.00 0.00 C ATOM 0 H VAL A 31 -4.529 3.053 -3.406 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.610 2.565 -5.278 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.709 1.656 -2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.243 1.703 -2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.938 0.488 -3.621 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.336 2.032 -4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.496 3.760 -1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.660 4.206 -3.683 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.109 4.052 -2.661 1.00 0.00 H new ATOM 441 N THR A 32 -3.840 -0.280 -4.169 1.00 0.00 N ATOM 442 CA THR A 32 -3.984 -1.690 -4.492 1.00 0.00 C ATOM 443 C THR A 32 -4.669 -1.859 -5.849 1.00 0.00 C ATOM 444 O THR A 32 -4.288 -2.723 -6.637 1.00 0.00 O ATOM 445 CB THR A 32 -4.737 -2.362 -3.343 1.00 0.00 C ATOM 446 OG1 THR A 32 -5.825 -1.481 -3.077 1.00 0.00 O ATOM 447 CG2 THR A 32 -3.935 -2.368 -2.040 1.00 0.00 C ATOM 0 H THR A 32 -4.308 0.011 -3.311 1.00 0.00 H new ATOM 0 HA THR A 32 -3.013 -2.175 -4.592 1.00 0.00 H new ATOM 0 HB THR A 32 -4.983 -3.387 -3.622 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.691 -1.049 -2.208 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.516 -2.857 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.001 -2.909 -2.190 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.716 -1.342 -1.743 1.00 0.00 H new ATOM 455 N ARG A 33 -5.668 -1.020 -6.081 1.00 0.00 N ATOM 456 CA ARG A 33 -6.409 -1.066 -7.329 1.00 0.00 C ATOM 457 C ARG A 33 -5.463 -0.870 -8.516 1.00 0.00 C ATOM 458 O ARG A 33 -5.424 -1.697 -9.426 1.00 0.00 O ATOM 459 CB ARG A 33 -7.493 0.014 -7.367 1.00 0.00 C ATOM 460 CG ARG A 33 -8.612 -0.366 -8.338 1.00 0.00 C ATOM 461 CD ARG A 33 -9.336 0.880 -8.854 1.00 0.00 C ATOM 462 NE ARG A 33 -10.768 0.577 -9.076 1.00 0.00 N ATOM 463 CZ ARG A 33 -11.695 0.577 -8.108 1.00 0.00 C ATOM 464 NH1 ARG A 33 -11.347 0.865 -6.847 1.00 0.00 N ATOM 465 NH2 ARG A 33 -12.971 0.290 -8.402 1.00 0.00 N ATOM 0 H ARG A 33 -5.981 -0.304 -5.425 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.884 -2.045 -7.396 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.906 0.155 -6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.053 0.965 -7.667 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -8.196 -0.923 -9.177 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -9.323 -1.024 -7.839 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.235 1.693 -8.135 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.879 1.218 -9.784 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.068 0.354 -10.025 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.376 1.084 -6.623 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.053 0.865 -6.111 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.236 0.072 -9.362 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -13.677 0.290 -7.665 1.00 0.00 H new ATOM 479 N ILE A 34 -4.725 0.228 -8.468 1.00 0.00 N ATOM 480 CA ILE A 34 -3.782 0.543 -9.528 1.00 0.00 C ATOM 481 C ILE A 34 -2.782 -0.607 -9.673 1.00 0.00 C ATOM 482 O ILE A 34 -2.543 -1.090 -10.779 1.00 0.00 O ATOM 483 CB ILE A 34 -3.124 1.901 -9.274 1.00 0.00 C ATOM 484 CG1 ILE A 34 -4.178 2.997 -9.102 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.121 2.239 -10.379 1.00 0.00 C ATOM 486 CD1 ILE A 34 -4.054 3.666 -7.731 1.00 0.00 C ATOM 0 H ILE A 34 -4.760 0.911 -7.712 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.300 0.639 -10.482 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.566 1.841 -8.340 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.062 3.744 -9.887 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.174 2.569 -9.213 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.668 3.209 -10.175 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.344 1.475 -10.412 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.636 2.274 -11.339 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.814 4.441 -7.634 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.194 2.920 -6.948 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.065 4.114 -7.633 1.00 0.00 H new ATOM 498 N LEU A 35 -2.226 -1.011 -8.541 1.00 0.00 N ATOM 499 CA LEU A 35 -1.258 -2.095 -8.528 1.00 0.00 C ATOM 500 C LEU A 35 -1.869 -3.326 -9.201 1.00 0.00 C ATOM 501 O LEU A 35 -1.173 -4.072 -9.888 1.00 0.00 O ATOM 502 CB LEU A 35 -0.763 -2.354 -7.104 1.00 0.00 C ATOM 503 CG LEU A 35 0.260 -1.356 -6.558 1.00 0.00 C ATOM 504 CD1 LEU A 35 0.585 -1.651 -5.092 1.00 0.00 C ATOM 505 CD2 LEU A 35 1.518 -1.328 -7.429 1.00 0.00 C ATOM 0 H LEU A 35 -2.427 -0.608 -7.626 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.373 -1.823 -9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.625 -2.362 -6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.323 -3.351 -7.069 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.181 -0.360 -6.597 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.314 -0.927 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.325 -1.580 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.997 -2.656 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.229 -0.611 -7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.971 -2.319 -7.445 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.251 -1.034 -8.444 1.00 0.00 H new ATOM 517 N ASP A 36 -3.164 -3.501 -8.979 1.00 0.00 N ATOM 518 CA ASP A 36 -3.876 -4.629 -9.555 1.00 0.00 C ATOM 519 C ASP A 36 -3.874 -4.504 -11.079 1.00 0.00 C ATOM 520 O ASP A 36 -3.723 -5.498 -11.788 1.00 0.00 O ATOM 521 CB ASP A 36 -5.332 -4.659 -9.085 1.00 0.00 C ATOM 522 CG ASP A 36 -6.031 -6.012 -9.232 1.00 0.00 C ATOM 523 OD1 ASP A 36 -6.483 -6.298 -10.362 1.00 0.00 O ATOM 524 OD2 ASP A 36 -6.097 -6.730 -8.211 1.00 0.00 O ATOM 0 H ASP A 36 -3.738 -2.881 -8.408 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.375 -5.543 -9.236 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.366 -4.361 -8.037 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.895 -3.913 -9.647 1.00 0.00 H new ATOM 529 N GLY A 37 -4.043 -3.273 -11.540 1.00 0.00 N ATOM 530 CA GLY A 37 -4.062 -3.005 -12.968 1.00 0.00 C ATOM 531 C GLY A 37 -2.649 -3.051 -13.554 1.00 0.00 C ATOM 532 O GLY A 37 -2.443 -3.578 -14.646 1.00 0.00 O ATOM 0 H GLY A 37 -4.168 -2.450 -10.950 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.692 -3.739 -13.471 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.504 -2.026 -13.152 1.00 0.00 H new ATOM 536 N LYS A 38 -1.713 -2.492 -12.802 1.00 0.00 N ATOM 537 CA LYS A 38 -0.325 -2.463 -13.233 1.00 0.00 C ATOM 538 C LYS A 38 0.210 -3.894 -13.311 1.00 0.00 C ATOM 539 O LYS A 38 1.247 -4.140 -13.925 1.00 0.00 O ATOM 540 CB LYS A 38 0.498 -1.547 -12.326 1.00 0.00 C ATOM 541 CG LYS A 38 0.026 -0.096 -12.437 1.00 0.00 C ATOM 542 CD LYS A 38 1.181 0.828 -12.828 1.00 0.00 C ATOM 543 CE LYS A 38 0.766 2.297 -12.727 1.00 0.00 C ATOM 544 NZ LYS A 38 0.601 2.884 -14.075 1.00 0.00 N ATOM 0 H LYS A 38 -1.888 -2.055 -11.897 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.245 -2.038 -14.233 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.414 -1.882 -11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.552 -1.612 -12.597 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.769 -0.024 -13.179 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.396 0.227 -11.485 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.036 0.642 -12.178 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.501 0.606 -13.846 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.168 2.379 -12.171 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.518 2.856 -12.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.319 3.881 -13.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.501 2.823 -14.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.133 2.361 -14.594 1.00 0.00 H new ATOM 558 N ARG A 39 -0.522 -4.801 -12.680 1.00 0.00 N ATOM 559 CA ARG A 39 -0.134 -6.201 -12.671 1.00 0.00 C ATOM 560 C ARG A 39 1.212 -6.374 -11.963 1.00 0.00 C ATOM 561 O ARG A 39 1.989 -7.263 -12.308 1.00 0.00 O ATOM 562 CB ARG A 39 -0.028 -6.753 -14.094 1.00 0.00 C ATOM 563 CG ARG A 39 -1.392 -6.747 -14.787 1.00 0.00 C ATOM 564 CD ARG A 39 -2.305 -7.831 -14.211 1.00 0.00 C ATOM 565 NE ARG A 39 -1.996 -9.137 -14.836 1.00 0.00 N ATOM 566 CZ ARG A 39 -1.109 -10.013 -14.347 1.00 0.00 C ATOM 567 NH1 ARG A 39 -0.437 -9.729 -13.223 1.00 0.00 N ATOM 568 NH2 ARG A 39 -0.893 -11.174 -14.981 1.00 0.00 N ATOM 0 H ARG A 39 -1.381 -4.593 -12.172 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.905 -6.755 -12.135 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.679 -6.154 -14.669 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.365 -7.769 -14.065 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.861 -5.770 -14.667 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.261 -6.908 -15.857 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.172 -7.895 -13.131 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.349 -7.571 -14.388 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.490 -9.385 -15.693 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.601 -8.846 -12.740 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.239 -10.396 -12.850 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.404 -11.391 -15.837 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.217 -11.841 -14.608 1.00 0.00 H new ATOM 582 N ILE A 40 1.446 -5.509 -10.987 1.00 0.00 N ATOM 583 CA ILE A 40 2.684 -5.555 -10.228 1.00 0.00 C ATOM 584 C ILE A 40 2.548 -6.579 -9.100 1.00 0.00 C ATOM 585 O ILE A 40 1.456 -6.786 -8.573 1.00 0.00 O ATOM 586 CB ILE A 40 3.069 -4.155 -9.745 1.00 0.00 C ATOM 587 CG1 ILE A 40 3.405 -3.241 -10.924 1.00 0.00 C ATOM 588 CG2 ILE A 40 4.209 -4.221 -8.727 1.00 0.00 C ATOM 589 CD1 ILE A 40 3.526 -1.784 -10.472 1.00 0.00 C ATOM 0 H ILE A 40 0.799 -4.772 -10.704 1.00 0.00 H new ATOM 0 HA ILE A 40 3.507 -5.886 -10.862 1.00 0.00 H new ATOM 0 HB ILE A 40 2.208 -3.720 -9.237 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.340 -3.562 -11.382 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.631 -3.326 -11.687 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.463 -3.213 -8.400 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.895 -4.813 -7.867 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.082 -4.684 -9.188 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.765 -1.156 -11.330 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.581 -1.459 -10.036 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.318 -1.699 -9.728 1.00 0.00 H new ATOM 601 N GLN A 41 3.673 -7.194 -8.762 1.00 0.00 N ATOM 602 CA GLN A 41 3.692 -8.191 -7.706 1.00 0.00 C ATOM 603 C GLN A 41 3.942 -7.525 -6.351 1.00 0.00 C ATOM 604 O GLN A 41 5.039 -7.033 -6.090 1.00 0.00 O ATOM 605 CB GLN A 41 4.741 -9.269 -7.989 1.00 0.00 C ATOM 606 CG GLN A 41 4.081 -10.629 -8.220 1.00 0.00 C ATOM 607 CD GLN A 41 4.151 -11.494 -6.960 1.00 0.00 C ATOM 608 OE1 GLN A 41 4.389 -11.019 -5.862 1.00 0.00 O ATOM 609 NE2 GLN A 41 3.929 -12.787 -7.178 1.00 0.00 N ATOM 0 H GLN A 41 4.577 -7.020 -9.201 1.00 0.00 H new ATOM 0 HA GLN A 41 2.717 -8.678 -7.675 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.326 -8.991 -8.866 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.435 -9.335 -7.151 1.00 0.00 H new ATOM 0 HG2 GLN A 41 3.040 -10.487 -8.511 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.575 -11.142 -9.045 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.735 -13.119 -8.123 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.952 -13.447 -6.400 1.00 0.00 H new ATOM 618 N TYR A 42 2.907 -7.532 -5.525 1.00 0.00 N ATOM 619 CA TYR A 42 3.000 -6.934 -4.203 1.00 0.00 C ATOM 620 C TYR A 42 2.211 -7.748 -3.176 1.00 0.00 C ATOM 621 O TYR A 42 1.523 -8.704 -3.533 1.00 0.00 O ATOM 622 CB TYR A 42 2.374 -5.544 -4.324 1.00 0.00 C ATOM 623 CG TYR A 42 0.844 -5.549 -4.341 1.00 0.00 C ATOM 624 CD1 TYR A 42 0.142 -5.650 -3.157 1.00 0.00 C ATOM 625 CD2 TYR A 42 0.167 -5.454 -5.539 1.00 0.00 C ATOM 626 CE1 TYR A 42 -1.298 -5.655 -3.173 1.00 0.00 C ATOM 627 CE2 TYR A 42 -1.273 -5.459 -5.555 1.00 0.00 C ATOM 628 CZ TYR A 42 -1.934 -5.560 -4.371 1.00 0.00 C ATOM 629 OH TYR A 42 -3.294 -5.565 -4.386 1.00 0.00 O ATOM 0 H TYR A 42 1.999 -7.942 -5.745 1.00 0.00 H new ATOM 0 HA TYR A 42 4.037 -6.898 -3.871 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.716 -4.929 -3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.736 -5.072 -5.238 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.672 -5.725 -2.219 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.717 -5.376 -6.465 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -1.860 -5.732 -2.254 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.815 -5.384 -6.486 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.611 -5.490 -5.310 1.00 0.00 H new ATOM 639 N GLN A 43 2.337 -7.341 -1.922 1.00 0.00 N ATOM 640 CA GLN A 43 1.644 -8.020 -0.841 1.00 0.00 C ATOM 641 C GLN A 43 1.121 -7.004 0.176 1.00 0.00 C ATOM 642 O GLN A 43 1.877 -6.168 0.669 1.00 0.00 O ATOM 643 CB GLN A 43 2.554 -9.051 -0.169 1.00 0.00 C ATOM 644 CG GLN A 43 1.749 -10.256 0.321 1.00 0.00 C ATOM 645 CD GLN A 43 2.675 -11.379 0.793 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.139 -12.202 0.020 1.00 0.00 O ATOM 647 NE2 GLN A 43 2.918 -11.367 2.100 1.00 0.00 N ATOM 0 H GLN A 43 2.909 -6.549 -1.630 1.00 0.00 H new ATOM 0 HA GLN A 43 0.792 -8.555 -1.261 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.318 -9.381 -0.873 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.073 -8.590 0.671 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.094 -9.952 1.138 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.109 -10.621 -0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.497 -10.649 2.690 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.525 -12.075 2.512 1.00 0.00 H new ATOM 656 N LEU A 44 -0.169 -7.109 0.461 1.00 0.00 N ATOM 657 CA LEU A 44 -0.801 -6.210 1.410 1.00 0.00 C ATOM 658 C LEU A 44 -0.342 -6.564 2.826 1.00 0.00 C ATOM 659 O LEU A 44 -0.122 -7.734 3.137 1.00 0.00 O ATOM 660 CB LEU A 44 -2.321 -6.228 1.234 1.00 0.00 C ATOM 661 CG LEU A 44 -3.026 -4.875 1.349 1.00 0.00 C ATOM 662 CD1 LEU A 44 -3.229 -4.485 2.815 1.00 0.00 C ATOM 663 CD2 LEU A 44 -2.272 -3.796 0.569 1.00 0.00 C ATOM 0 H LEU A 44 -0.793 -7.804 0.051 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.493 -5.181 1.223 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.549 -6.652 0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.745 -6.901 1.979 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.015 -4.966 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.732 -3.520 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.839 -5.240 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.261 -4.417 3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.794 -2.844 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.262 -3.698 0.967 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.222 -4.076 -0.483 1.00 0.00 H new ATOM 675 N VAL A 45 -0.210 -5.532 3.646 1.00 0.00 N ATOM 676 CA VAL A 45 0.220 -5.720 5.022 1.00 0.00 C ATOM 677 C VAL A 45 -0.686 -4.908 5.950 1.00 0.00 C ATOM 678 O VAL A 45 -0.696 -3.680 5.895 1.00 0.00 O ATOM 679 CB VAL A 45 1.699 -5.355 5.162 1.00 0.00 C ATOM 680 CG1 VAL A 45 2.096 -5.230 6.635 1.00 0.00 C ATOM 681 CG2 VAL A 45 2.585 -6.372 4.440 1.00 0.00 C ATOM 0 H VAL A 45 -0.393 -4.563 3.385 1.00 0.00 H new ATOM 0 HA VAL A 45 0.128 -6.767 5.311 1.00 0.00 H new ATOM 0 HB VAL A 45 1.851 -4.384 4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.152 -4.970 6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.498 -4.451 7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.921 -6.180 7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.631 -6.089 4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.427 -7.361 4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.329 -6.391 3.381 1.00 0.00 H new ATOM 691 N ASP A 46 -1.426 -5.628 6.780 1.00 0.00 N ATOM 692 CA ASP A 46 -2.333 -4.991 7.719 1.00 0.00 C ATOM 693 C ASP A 46 -1.547 -4.529 8.948 1.00 0.00 C ATOM 694 O ASP A 46 -1.150 -5.345 9.778 1.00 0.00 O ATOM 695 CB ASP A 46 -3.415 -5.966 8.189 1.00 0.00 C ATOM 696 CG ASP A 46 -4.507 -5.348 9.064 1.00 0.00 C ATOM 697 OD1 ASP A 46 -4.893 -4.198 8.763 1.00 0.00 O ATOM 698 OD2 ASP A 46 -4.930 -6.039 10.016 1.00 0.00 O ATOM 0 H ASP A 46 -1.416 -6.647 6.822 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.803 -4.147 7.213 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -3.883 -6.415 7.313 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.939 -6.773 8.745 1.00 0.00 H new ATOM 703 N ILE A 47 -1.347 -3.222 9.025 1.00 0.00 N ATOM 704 CA ILE A 47 -0.615 -2.642 10.139 1.00 0.00 C ATOM 705 C ILE A 47 -1.489 -2.683 11.394 1.00 0.00 C ATOM 706 O ILE A 47 -0.981 -2.835 12.504 1.00 0.00 O ATOM 707 CB ILE A 47 -0.119 -1.239 9.781 1.00 0.00 C ATOM 708 CG1 ILE A 47 -1.253 -0.216 9.871 1.00 0.00 C ATOM 709 CG2 ILE A 47 0.554 -1.230 8.407 1.00 0.00 C ATOM 710 CD1 ILE A 47 -0.737 1.199 9.601 1.00 0.00 C ATOM 0 H ILE A 47 -1.679 -2.548 8.335 1.00 0.00 H new ATOM 0 HA ILE A 47 0.279 -3.227 10.353 1.00 0.00 H new ATOM 0 HB ILE A 47 0.636 -0.947 10.511 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.032 -0.467 9.151 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.708 -0.258 10.860 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.897 -0.221 8.177 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.406 -1.910 8.414 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.161 -1.552 7.650 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.563 1.907 9.671 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.024 1.455 10.338 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.304 1.244 8.602 1.00 0.00 H new ATOM 722 N SER A 48 -2.789 -2.544 11.176 1.00 0.00 N ATOM 723 CA SER A 48 -3.738 -2.564 12.276 1.00 0.00 C ATOM 724 C SER A 48 -3.708 -3.927 12.969 1.00 0.00 C ATOM 725 O SER A 48 -4.064 -4.040 14.141 1.00 0.00 O ATOM 726 CB SER A 48 -5.153 -2.247 11.788 1.00 0.00 C ATOM 727 OG SER A 48 -5.661 -3.263 10.928 1.00 0.00 O ATOM 0 H SER A 48 -3.207 -2.417 10.254 1.00 0.00 H new ATOM 0 HA SER A 48 -3.449 -1.794 12.991 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.816 -2.134 12.646 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.149 -1.293 11.260 1.00 0.00 H new ATOM 0 HG SER A 48 -4.992 -3.477 10.244 1.00 0.00 H new ATOM 733 N GLN A 49 -3.281 -4.929 12.215 1.00 0.00 N ATOM 734 CA GLN A 49 -3.200 -6.281 12.742 1.00 0.00 C ATOM 735 C GLN A 49 -2.165 -6.352 13.866 1.00 0.00 C ATOM 736 O GLN A 49 -2.446 -6.877 14.942 1.00 0.00 O ATOM 737 CB GLN A 49 -2.875 -7.283 11.633 1.00 0.00 C ATOM 738 CG GLN A 49 -4.069 -8.199 11.354 1.00 0.00 C ATOM 739 CD GLN A 49 -4.014 -9.453 12.229 1.00 0.00 C ATOM 740 OE1 GLN A 49 -3.357 -9.497 13.255 1.00 0.00 O ATOM 741 NE2 GLN A 49 -4.741 -10.467 11.767 1.00 0.00 N ATOM 0 H GLN A 49 -2.987 -4.832 11.243 1.00 0.00 H new ATOM 0 HA GLN A 49 -4.173 -6.548 13.154 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.602 -6.748 10.723 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.012 -7.883 11.921 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.997 -7.660 11.543 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.075 -8.485 10.302 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.268 -10.363 10.900 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.771 -11.348 12.280 1.00 0.00 H new ATOM 750 N ASP A 50 -0.988 -5.815 13.578 1.00 0.00 N ATOM 751 CA ASP A 50 0.091 -5.811 14.551 1.00 0.00 C ATOM 752 C ASP A 50 0.513 -4.367 14.831 1.00 0.00 C ATOM 753 O ASP A 50 1.064 -3.697 13.959 1.00 0.00 O ATOM 754 CB ASP A 50 1.312 -6.566 14.022 1.00 0.00 C ATOM 755 CG ASP A 50 1.866 -7.638 14.962 1.00 0.00 C ATOM 756 OD1 ASP A 50 1.198 -7.894 15.988 1.00 0.00 O ATOM 757 OD2 ASP A 50 2.944 -8.179 14.634 1.00 0.00 O ATOM 0 H ASP A 50 -0.758 -5.380 12.685 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.269 -6.298 15.457 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.047 -7.036 13.075 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.102 -5.846 13.811 1.00 0.00 H new ATOM 762 N ASN A 51 0.238 -3.930 16.052 1.00 0.00 N ATOM 763 CA ASN A 51 0.582 -2.579 16.458 1.00 0.00 C ATOM 764 C ASN A 51 2.027 -2.281 16.052 1.00 0.00 C ATOM 765 O ASN A 51 2.353 -1.152 15.689 1.00 0.00 O ATOM 766 CB ASN A 51 0.474 -2.415 17.976 1.00 0.00 C ATOM 767 CG ASN A 51 -0.914 -1.913 18.376 1.00 0.00 C ATOM 768 OD1 ASN A 51 -1.438 -0.957 17.828 1.00 0.00 O ATOM 769 ND2 ASN A 51 -1.478 -2.608 19.359 1.00 0.00 N ATOM 0 H ASN A 51 -0.219 -4.489 16.773 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.112 -1.894 15.971 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.674 -3.369 18.463 1.00 0.00 H new ATOM 0 HB3 ASN A 51 1.232 -1.714 18.324 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.405 -2.351 19.698 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.984 -3.398 19.774 1.00 0.00 H new ATOM 776 N ALA A 52 2.854 -3.313 16.128 1.00 0.00 N ATOM 777 CA ALA A 52 4.256 -3.176 15.773 1.00 0.00 C ATOM 778 C ALA A 52 4.367 -2.559 14.377 1.00 0.00 C ATOM 779 O ALA A 52 5.009 -1.525 14.201 1.00 0.00 O ATOM 780 CB ALA A 52 4.942 -4.541 15.863 1.00 0.00 C ATOM 0 H ALA A 52 2.580 -4.248 16.430 1.00 0.00 H new ATOM 0 HA ALA A 52 4.764 -2.509 16.470 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.994 -4.438 15.597 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.861 -4.922 16.881 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.460 -5.236 15.176 1.00 0.00 H new ATOM 786 N LEU A 53 3.731 -3.220 13.421 1.00 0.00 N ATOM 787 CA LEU A 53 3.749 -2.750 12.046 1.00 0.00 C ATOM 788 C LEU A 53 3.620 -1.225 12.032 1.00 0.00 C ATOM 789 O LEU A 53 4.495 -0.529 11.519 1.00 0.00 O ATOM 790 CB LEU A 53 2.678 -3.465 11.221 1.00 0.00 C ATOM 791 CG LEU A 53 2.946 -4.939 10.908 1.00 0.00 C ATOM 792 CD1 LEU A 53 1.640 -5.733 10.852 1.00 0.00 C ATOM 793 CD2 LEU A 53 3.762 -5.087 9.622 1.00 0.00 C ATOM 0 H LEU A 53 3.200 -4.078 13.571 1.00 0.00 H new ATOM 0 HA LEU A 53 4.699 -2.995 11.572 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.730 -3.394 11.753 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.556 -2.930 10.279 1.00 0.00 H new ATOM 0 HG LEU A 53 3.543 -5.357 11.718 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.858 -6.777 10.628 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.132 -5.667 11.814 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.997 -5.322 10.074 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.938 -6.144 9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.212 -4.648 8.790 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.717 -4.575 9.736 1.00 0.00 H new ATOM 805 N ARG A 54 2.522 -0.751 12.602 1.00 0.00 N ATOM 806 CA ARG A 54 2.268 0.679 12.661 1.00 0.00 C ATOM 807 C ARG A 54 3.570 1.440 12.917 1.00 0.00 C ATOM 808 O ARG A 54 3.840 2.451 12.271 1.00 0.00 O ATOM 809 CB ARG A 54 1.263 1.014 13.765 1.00 0.00 C ATOM 810 CG ARG A 54 0.578 2.355 13.494 1.00 0.00 C ATOM 811 CD ARG A 54 -0.777 2.430 14.200 1.00 0.00 C ATOM 812 NE ARG A 54 -1.045 3.820 14.634 1.00 0.00 N ATOM 813 CZ ARG A 54 -2.222 4.242 15.117 1.00 0.00 C ATOM 814 NH1 ARG A 54 -3.246 3.386 15.230 1.00 0.00 N ATOM 815 NH2 ARG A 54 -2.374 5.521 15.486 1.00 0.00 N ATOM 0 H ARG A 54 1.798 -1.331 13.027 1.00 0.00 H new ATOM 0 HA ARG A 54 1.850 0.982 11.701 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.513 0.225 13.831 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.773 1.050 14.728 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.216 3.169 13.837 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.441 2.487 12.421 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.566 2.091 13.528 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.785 1.763 15.062 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.287 4.499 14.561 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.130 2.412 14.948 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.141 3.708 15.598 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.594 6.173 15.399 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.269 5.843 15.854 1.00 0.00 H new ATOM 829 N ASP A 55 4.343 0.924 13.862 1.00 0.00 N ATOM 830 CA ASP A 55 5.611 1.543 14.211 1.00 0.00 C ATOM 831 C ASP A 55 6.646 1.220 13.132 1.00 0.00 C ATOM 832 O ASP A 55 7.151 2.120 12.462 1.00 0.00 O ATOM 833 CB ASP A 55 6.135 1.007 15.545 1.00 0.00 C ATOM 834 CG ASP A 55 7.082 1.949 16.292 1.00 0.00 C ATOM 835 OD1 ASP A 55 7.559 2.906 15.645 1.00 0.00 O ATOM 836 OD2 ASP A 55 7.307 1.690 17.494 1.00 0.00 O ATOM 0 H ASP A 55 4.116 0.085 14.396 1.00 0.00 H new ATOM 0 HA ASP A 55 5.451 2.618 14.291 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.285 0.785 16.190 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.652 0.065 15.363 1.00 0.00 H new ATOM 841 N GLU A 56 6.930 -0.067 12.996 1.00 0.00 N ATOM 842 CA GLU A 56 7.896 -0.520 12.009 1.00 0.00 C ATOM 843 C GLU A 56 7.761 0.295 10.721 1.00 0.00 C ATOM 844 O GLU A 56 8.751 0.802 10.196 1.00 0.00 O ATOM 845 CB GLU A 56 7.735 -2.016 11.731 1.00 0.00 C ATOM 846 CG GLU A 56 9.096 -2.684 11.522 1.00 0.00 C ATOM 847 CD GLU A 56 9.740 -3.047 12.862 1.00 0.00 C ATOM 848 OE1 GLU A 56 9.944 -2.111 13.666 1.00 0.00 O ATOM 849 OE2 GLU A 56 10.014 -4.251 13.052 1.00 0.00 O ATOM 0 H GLU A 56 6.508 -0.810 13.553 1.00 0.00 H new ATOM 0 HA GLU A 56 8.897 -0.364 12.411 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.217 -2.491 12.564 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.115 -2.161 10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.975 -3.583 10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.753 -2.013 10.968 1.00 0.00 H new ATOM 856 N MET A 57 6.527 0.396 10.249 1.00 0.00 N ATOM 857 CA MET A 57 6.249 1.140 9.033 1.00 0.00 C ATOM 858 C MET A 57 6.652 2.608 9.185 1.00 0.00 C ATOM 859 O MET A 57 7.319 3.166 8.314 1.00 0.00 O ATOM 860 CB MET A 57 4.756 1.051 8.709 1.00 0.00 C ATOM 861 CG MET A 57 4.421 1.846 7.445 1.00 0.00 C ATOM 862 SD MET A 57 2.668 2.174 7.378 1.00 0.00 S ATOM 863 CE MET A 57 2.496 3.234 8.804 1.00 0.00 C ATOM 0 H MET A 57 5.708 -0.026 10.687 1.00 0.00 H new ATOM 0 HA MET A 57 6.832 0.704 8.222 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.471 0.008 8.573 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.175 1.433 9.548 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.976 2.784 7.438 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.729 1.287 6.561 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.712 3.968 8.619 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.232 2.633 9.674 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.439 3.749 8.991 1.00 0.00 H new ATOM 873 N ARG A 58 6.231 3.193 10.296 1.00 0.00 N ATOM 874 CA ARG A 58 6.539 4.585 10.573 1.00 0.00 C ATOM 875 C ARG A 58 8.045 4.830 10.449 1.00 0.00 C ATOM 876 O ARG A 58 8.472 5.757 9.762 1.00 0.00 O ATOM 877 CB ARG A 58 6.079 4.983 11.977 1.00 0.00 C ATOM 878 CG ARG A 58 4.690 5.623 11.938 1.00 0.00 C ATOM 879 CD ARG A 58 3.810 5.092 13.072 1.00 0.00 C ATOM 880 NE ARG A 58 2.466 4.753 12.553 1.00 0.00 N ATOM 881 CZ ARG A 58 1.463 5.633 12.431 1.00 0.00 C ATOM 882 NH1 ARG A 58 1.646 6.911 12.790 1.00 0.00 N ATOM 883 NH2 ARG A 58 0.278 5.235 11.950 1.00 0.00 N ATOM 0 H ARG A 58 5.678 2.728 11.016 1.00 0.00 H new ATOM 0 HA ARG A 58 6.006 5.194 9.843 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.060 4.103 12.620 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.793 5.682 12.413 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.782 6.706 12.021 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.217 5.416 10.978 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.270 4.210 13.518 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.727 5.841 13.860 1.00 0.00 H new ATOM 0 HE ARG A 58 2.292 3.788 12.270 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.549 7.214 13.156 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.883 7.581 12.697 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.139 4.262 11.677 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.486 5.905 11.857 1.00 0.00 H new ATOM 897 N THR A 59 8.807 3.983 11.124 1.00 0.00 N ATOM 898 CA THR A 59 10.256 4.096 11.098 1.00 0.00 C ATOM 899 C THR A 59 10.773 3.990 9.662 1.00 0.00 C ATOM 900 O THR A 59 11.411 4.913 9.159 1.00 0.00 O ATOM 901 CB THR A 59 10.830 3.028 12.031 1.00 0.00 C ATOM 902 OG1 THR A 59 10.816 3.646 13.316 1.00 0.00 O ATOM 903 CG2 THR A 59 12.312 2.755 11.766 1.00 0.00 C ATOM 0 H THR A 59 8.449 3.215 11.692 1.00 0.00 H new ATOM 0 HA THR A 59 10.584 5.072 11.457 1.00 0.00 H new ATOM 0 HB THR A 59 10.264 2.104 11.916 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.171 3.022 13.983 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.670 1.990 12.455 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.441 2.409 10.740 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.883 3.672 11.914 1.00 0.00 H new ATOM 911 N LEU A 60 10.478 2.856 9.043 1.00 0.00 N ATOM 912 CA LEU A 60 10.905 2.617 7.675 1.00 0.00 C ATOM 913 C LEU A 60 10.627 3.864 6.833 1.00 0.00 C ATOM 914 O LEU A 60 11.536 4.416 6.216 1.00 0.00 O ATOM 915 CB LEU A 60 10.256 1.346 7.125 1.00 0.00 C ATOM 916 CG LEU A 60 10.811 0.024 7.659 1.00 0.00 C ATOM 917 CD1 LEU A 60 9.880 -1.141 7.316 1.00 0.00 C ATOM 918 CD2 LEU A 60 12.236 -0.215 7.156 1.00 0.00 C ATOM 0 H LEU A 60 9.948 2.093 9.464 1.00 0.00 H new ATOM 0 HA LEU A 60 11.980 2.440 7.637 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.189 1.383 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.360 1.349 6.040 1.00 0.00 H new ATOM 0 HG LEU A 60 10.859 0.088 8.746 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.298 -2.068 7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.901 -0.968 7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.777 -1.218 6.234 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.607 -1.161 7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.236 -0.251 6.067 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.882 0.596 7.493 1.00 0.00 H new ATOM 930 N ALA A 61 9.366 4.271 6.836 1.00 0.00 N ATOM 931 CA ALA A 61 8.956 5.442 6.080 1.00 0.00 C ATOM 932 C ALA A 61 9.880 6.613 6.420 1.00 0.00 C ATOM 933 O ALA A 61 10.512 7.187 5.535 1.00 0.00 O ATOM 934 CB ALA A 61 7.487 5.753 6.377 1.00 0.00 C ATOM 0 H ALA A 61 8.615 3.811 7.350 1.00 0.00 H new ATOM 0 HA ALA A 61 9.040 5.256 5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.179 6.632 5.810 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.870 4.902 6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.365 5.948 7.442 1.00 0.00 H new ATOM 940 N GLY A 62 9.930 6.932 7.705 1.00 0.00 N ATOM 941 CA GLY A 62 10.767 8.023 8.174 1.00 0.00 C ATOM 942 C GLY A 62 9.924 9.112 8.841 1.00 0.00 C ATOM 943 O GLY A 62 10.221 10.299 8.711 1.00 0.00 O ATOM 0 H GLY A 62 9.404 6.454 8.436 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.503 7.643 8.882 1.00 0.00 H new ATOM 0 HA3 GLY A 62 11.320 8.448 7.336 1.00 0.00 H new ATOM 947 N ASN A 63 8.890 8.670 9.541 1.00 0.00 N ATOM 948 CA ASN A 63 8.002 9.592 10.229 1.00 0.00 C ATOM 949 C ASN A 63 7.095 8.807 11.179 1.00 0.00 C ATOM 950 O ASN A 63 6.470 7.828 10.778 1.00 0.00 O ATOM 951 CB ASN A 63 7.112 10.343 9.237 1.00 0.00 C ATOM 952 CG ASN A 63 6.751 11.732 9.767 1.00 0.00 C ATOM 953 OD1 ASN A 63 7.581 12.463 10.282 1.00 0.00 O ATOM 954 ND2 ASN A 63 5.470 12.055 9.611 1.00 0.00 N ATOM 0 H ASN A 63 8.647 7.685 9.647 1.00 0.00 H new ATOM 0 HA ASN A 63 8.616 10.308 10.775 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.626 10.437 8.281 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.202 9.772 9.055 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.130 12.962 9.931 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.828 11.396 9.171 1.00 0.00 H new ATOM 961 N PRO A 64 7.052 9.280 12.454 1.00 0.00 N ATOM 962 CA PRO A 64 6.232 8.633 13.464 1.00 0.00 C ATOM 963 C PRO A 64 4.751 8.956 13.257 1.00 0.00 C ATOM 964 O PRO A 64 3.884 8.143 13.575 1.00 0.00 O ATOM 965 CB PRO A 64 6.771 9.141 14.792 1.00 0.00 C ATOM 966 CG PRO A 64 7.559 10.400 14.468 1.00 0.00 C ATOM 967 CD PRO A 64 7.780 10.438 12.965 1.00 0.00 C ATOM 0 HA PRO A 64 6.286 7.545 13.417 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.959 9.356 15.486 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.407 8.394 15.267 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.015 11.286 14.796 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.514 10.399 14.994 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.403 11.365 12.533 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.840 10.379 12.719 1.00 0.00 H new ATOM 975 N LYS A 65 4.506 10.145 12.726 1.00 0.00 N ATOM 976 CA LYS A 65 3.145 10.586 12.473 1.00 0.00 C ATOM 977 C LYS A 65 2.777 10.283 11.019 1.00 0.00 C ATOM 978 O LYS A 65 2.201 11.125 10.332 1.00 0.00 O ATOM 979 CB LYS A 65 2.978 12.058 12.856 1.00 0.00 C ATOM 980 CG LYS A 65 3.247 12.270 14.347 1.00 0.00 C ATOM 981 CD LYS A 65 1.943 12.502 15.112 1.00 0.00 C ATOM 982 CE LYS A 65 2.202 13.234 16.430 1.00 0.00 C ATOM 983 NZ LYS A 65 1.047 14.090 16.783 1.00 0.00 N ATOM 0 H LYS A 65 5.227 10.817 12.464 1.00 0.00 H new ATOM 0 HA LYS A 65 2.444 10.036 13.101 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.662 12.670 12.269 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.968 12.388 12.614 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.762 11.400 14.755 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.909 13.125 14.483 1.00 0.00 H new ATOM 0 HD2 LYS A 65 1.256 13.084 14.498 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.460 11.546 15.312 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.383 12.511 17.225 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.101 13.844 16.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.239 14.580 17.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.893 14.792 16.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.196 13.500 16.886 1.00 0.00 H new ATOM 997 N ALA A 66 3.126 9.078 10.592 1.00 0.00 N ATOM 998 CA ALA A 66 2.840 8.654 9.232 1.00 0.00 C ATOM 999 C ALA A 66 1.557 7.821 9.222 1.00 0.00 C ATOM 1000 O ALA A 66 1.093 7.376 10.270 1.00 0.00 O ATOM 1001 CB ALA A 66 4.039 7.884 8.675 1.00 0.00 C ATOM 0 H ALA A 66 3.604 8.382 11.164 1.00 0.00 H new ATOM 0 HA ALA A 66 2.678 9.517 8.586 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.825 7.566 7.655 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.918 8.528 8.677 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.229 7.009 9.296 1.00 0.00 H new ATOM 1007 N THR A 67 1.019 7.636 8.025 1.00 0.00 N ATOM 1008 CA THR A 67 -0.202 6.865 7.864 1.00 0.00 C ATOM 1009 C THR A 67 -0.213 6.161 6.506 1.00 0.00 C ATOM 1010 O THR A 67 0.500 6.564 5.588 1.00 0.00 O ATOM 1011 CB THR A 67 -1.388 7.810 8.068 1.00 0.00 C ATOM 1012 OG1 THR A 67 -1.106 8.912 7.210 1.00 0.00 O ATOM 1013 CG2 THR A 67 -1.412 8.425 9.469 1.00 0.00 C ATOM 0 H THR A 67 1.407 8.007 7.157 1.00 0.00 H new ATOM 0 HA THR A 67 -0.269 6.071 8.607 1.00 0.00 H new ATOM 0 HB THR A 67 -2.318 7.268 7.893 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.826 9.573 7.279 1.00 0.00 H new ATOM 0 HG21 THR A 67 -2.273 9.087 9.561 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.483 7.632 10.213 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.497 8.995 9.632 1.00 0.00 H new ATOM 1021 N PRO A 68 -1.051 5.094 6.419 1.00 0.00 N ATOM 1022 CA PRO A 68 -1.164 4.330 5.188 1.00 0.00 C ATOM 1023 C PRO A 68 -1.974 5.095 4.140 1.00 0.00 C ATOM 1024 O PRO A 68 -2.625 6.089 4.458 1.00 0.00 O ATOM 1025 CB PRO A 68 -1.812 3.017 5.597 1.00 0.00 C ATOM 1026 CG PRO A 68 -2.459 3.276 6.948 1.00 0.00 C ATOM 1027 CD PRO A 68 -1.909 4.587 7.485 1.00 0.00 C ATOM 0 HA PRO A 68 -0.199 4.152 4.714 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -2.553 2.702 4.863 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.071 2.220 5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.543 3.329 6.848 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -2.242 2.460 7.638 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.711 5.288 7.715 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.347 4.433 8.406 1.00 0.00 H new ATOM 1035 N PRO A 69 -1.906 4.590 2.879 1.00 0.00 N ATOM 1036 CA PRO A 69 -1.111 3.409 2.588 1.00 0.00 C ATOM 1037 C PRO A 69 0.382 3.743 2.572 1.00 0.00 C ATOM 1038 O PRO A 69 0.770 4.880 2.835 1.00 0.00 O ATOM 1039 CB PRO A 69 -1.623 2.912 1.246 1.00 0.00 C ATOM 1040 CG PRO A 69 -2.356 4.086 0.618 1.00 0.00 C ATOM 1041 CD PRO A 69 -2.581 5.128 1.701 1.00 0.00 C ATOM 0 HA PRO A 69 -1.212 2.636 3.349 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -0.800 2.581 0.612 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.289 2.059 1.374 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -1.772 4.506 -0.201 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.308 3.761 0.197 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.166 6.094 1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.644 5.281 1.889 1.00 0.00 H new ATOM 1049 N GLN A 70 1.178 2.731 2.262 1.00 0.00 N ATOM 1050 CA GLN A 70 2.620 2.902 2.208 1.00 0.00 C ATOM 1051 C GLN A 70 3.252 1.817 1.335 1.00 0.00 C ATOM 1052 O GLN A 70 3.219 0.637 1.683 1.00 0.00 O ATOM 1053 CB GLN A 70 3.225 2.897 3.614 1.00 0.00 C ATOM 1054 CG GLN A 70 3.956 4.210 3.901 1.00 0.00 C ATOM 1055 CD GLN A 70 3.077 5.160 4.716 1.00 0.00 C ATOM 1056 OE1 GLN A 70 2.435 4.779 5.681 1.00 0.00 O ATOM 1057 NE2 GLN A 70 3.083 6.415 4.275 1.00 0.00 N ATOM 0 H GLN A 70 0.852 1.789 2.045 1.00 0.00 H new ATOM 0 HA GLN A 70 2.835 3.872 1.759 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.437 2.746 4.352 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.918 2.062 3.713 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.878 4.006 4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.239 4.686 2.962 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.643 6.667 3.461 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.527 7.126 4.751 1.00 0.00 H new ATOM 1066 N ILE A 71 3.813 2.253 0.217 1.00 0.00 N ATOM 1067 CA ILE A 71 4.452 1.333 -0.709 1.00 0.00 C ATOM 1068 C ILE A 71 5.901 1.105 -0.276 1.00 0.00 C ATOM 1069 O ILE A 71 6.623 2.058 0.015 1.00 0.00 O ATOM 1070 CB ILE A 71 4.311 1.837 -2.147 1.00 0.00 C ATOM 1071 CG1 ILE A 71 2.843 2.087 -2.499 1.00 0.00 C ATOM 1072 CG2 ILE A 71 4.981 0.877 -3.132 1.00 0.00 C ATOM 1073 CD1 ILE A 71 2.513 3.580 -2.445 1.00 0.00 C ATOM 0 H ILE A 71 3.838 3.232 -0.069 1.00 0.00 H new ATOM 0 HA ILE A 71 3.956 0.363 -0.686 1.00 0.00 H new ATOM 0 HB ILE A 71 4.828 2.793 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 71 2.634 1.700 -3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.201 1.544 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 71 4.866 1.258 -4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 71 6.041 0.793 -2.894 1.00 0.00 H new ATOM 0 HG23 ILE A 71 4.513 -0.105 -3.058 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.464 3.730 -2.699 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.701 3.958 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.139 4.117 -3.157 1.00 0.00 H new ATOM 1085 N VAL A 72 6.284 -0.163 -0.247 1.00 0.00 N ATOM 1086 CA VAL A 72 7.635 -0.528 0.145 1.00 0.00 C ATOM 1087 C VAL A 72 8.152 -1.626 -0.785 1.00 0.00 C ATOM 1088 O VAL A 72 7.433 -2.577 -1.090 1.00 0.00 O ATOM 1089 CB VAL A 72 7.659 -0.934 1.621 1.00 0.00 C ATOM 1090 CG1 VAL A 72 9.055 -0.744 2.218 1.00 0.00 C ATOM 1091 CG2 VAL A 72 6.610 -0.158 2.420 1.00 0.00 C ATOM 0 H VAL A 72 5.682 -0.951 -0.489 1.00 0.00 H new ATOM 0 HA VAL A 72 8.306 0.325 0.045 1.00 0.00 H new ATOM 0 HB VAL A 72 7.410 -1.993 1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.045 -1.039 3.267 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.770 -1.361 1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.345 0.304 2.139 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.648 -0.465 3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.815 0.910 2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.619 -0.365 2.017 1.00 0.00 H new ATOM 1101 N ASN A 73 9.396 -1.460 -1.211 1.00 0.00 N ATOM 1102 CA ASN A 73 10.018 -2.425 -2.101 1.00 0.00 C ATOM 1103 C ASN A 73 11.257 -3.012 -1.423 1.00 0.00 C ATOM 1104 O ASN A 73 12.261 -2.322 -1.252 1.00 0.00 O ATOM 1105 CB ASN A 73 10.461 -1.764 -3.408 1.00 0.00 C ATOM 1106 CG ASN A 73 10.540 -2.788 -4.541 1.00 0.00 C ATOM 1107 OD1 ASN A 73 10.095 -2.336 -5.710 1.00 0.00 O flip ATOM 1108 ND2 ASN A 73 10.975 -3.915 -4.367 1.00 0.00 N flip ATOM 0 H ASN A 73 9.990 -0.671 -0.956 1.00 0.00 H new ATOM 0 HA ASN A 73 9.286 -3.202 -2.321 1.00 0.00 H new ATOM 0 HB2 ASN A 73 9.760 -0.974 -3.676 1.00 0.00 H new ATOM 0 HB3 ASN A 73 11.434 -1.293 -3.270 1.00 0.00 H new ATOM 0 HD21 ASN A 73 11.301 -4.199 -3.443 1.00 0.00 H new ATOM 0 HD22 ASN A 73 11.012 -4.573 -5.145 1.00 0.00 H new ATOM 1115 N GLY A 74 11.147 -4.280 -1.055 1.00 0.00 N ATOM 1116 CA GLY A 74 12.246 -4.968 -0.400 1.00 0.00 C ATOM 1117 C GLY A 74 12.837 -4.113 0.723 1.00 0.00 C ATOM 1118 O GLY A 74 14.050 -4.099 0.925 1.00 0.00 O ATOM 0 H GLY A 74 10.313 -4.849 -1.198 1.00 0.00 H new ATOM 0 HA2 GLY A 74 11.895 -5.917 0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 74 13.021 -5.201 -1.130 1.00 0.00 H new ATOM 1122 N ASN A 75 11.951 -3.420 1.423 1.00 0.00 N ATOM 1123 CA ASN A 75 12.369 -2.564 2.520 1.00 0.00 C ATOM 1124 C ASN A 75 12.808 -1.207 1.965 1.00 0.00 C ATOM 1125 O ASN A 75 13.653 -0.535 2.554 1.00 0.00 O ATOM 1126 CB ASN A 75 13.554 -3.172 3.273 1.00 0.00 C ATOM 1127 CG ASN A 75 13.597 -2.678 4.720 1.00 0.00 C ATOM 1128 OD1 ASN A 75 12.721 -2.954 5.523 1.00 0.00 O ATOM 1129 ND2 ASN A 75 14.662 -1.935 5.007 1.00 0.00 N ATOM 0 H ASN A 75 10.946 -3.434 1.252 1.00 0.00 H new ATOM 0 HA ASN A 75 11.526 -2.455 3.202 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.479 -4.259 3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.484 -2.910 2.768 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.783 -1.558 5.947 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.358 -1.742 4.287 1.00 0.00 H new ATOM 1136 N HIS A 76 12.214 -0.846 0.837 1.00 0.00 N ATOM 1137 CA HIS A 76 12.533 0.418 0.195 1.00 0.00 C ATOM 1138 C HIS A 76 11.292 1.313 0.180 1.00 0.00 C ATOM 1139 O HIS A 76 10.424 1.163 -0.678 1.00 0.00 O ATOM 1140 CB HIS A 76 13.114 0.187 -1.201 1.00 0.00 C ATOM 1141 CG HIS A 76 14.308 -0.737 -1.225 1.00 0.00 C ATOM 1142 ND1 HIS A 76 14.648 -1.732 -2.093 1.00 0.00 N flip ATOM 1143 CD2 HIS A 76 15.311 -0.690 -0.272 1.00 0.00 C flip ATOM 1144 CE1 HIS A 76 15.797 -2.263 -1.694 1.00 0.00 C flip ATOM 1145 NE2 HIS A 76 16.209 -1.619 -0.565 1.00 0.00 N flip ATOM 0 H HIS A 76 11.514 -1.407 0.351 1.00 0.00 H new ATOM 0 HA HIS A 76 13.305 0.935 0.765 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.336 -0.225 -1.843 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.403 1.148 -1.627 1.00 0.00 H new ATOM 0 HD2 HIS A 76 15.354 -0.012 0.567 1.00 0.00 H new ATOM 0 HE1 HIS A 76 16.320 -3.072 -2.183 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.060 -1.818 -0.038 1.00 0.00 H new ATOM 1153 N TYR A 77 11.248 2.225 1.141 1.00 0.00 N ATOM 1154 CA TYR A 77 10.129 3.145 1.249 1.00 0.00 C ATOM 1155 C TYR A 77 9.974 3.973 -0.028 1.00 0.00 C ATOM 1156 O TYR A 77 10.804 4.833 -0.318 1.00 0.00 O ATOM 1157 CB TYR A 77 10.462 4.080 2.413 1.00 0.00 C ATOM 1158 CG TYR A 77 9.422 5.177 2.648 1.00 0.00 C ATOM 1159 CD1 TYR A 77 8.081 4.855 2.709 1.00 0.00 C ATOM 1160 CD2 TYR A 77 9.823 6.489 2.798 1.00 0.00 C ATOM 1161 CE1 TYR A 77 7.102 5.887 2.930 1.00 0.00 C ATOM 1162 CE2 TYR A 77 8.844 7.521 3.019 1.00 0.00 C ATOM 1163 CZ TYR A 77 7.532 7.169 3.074 1.00 0.00 C ATOM 1164 OH TYR A 77 6.607 8.144 3.283 1.00 0.00 O ATOM 0 H TYR A 77 11.970 2.346 1.852 1.00 0.00 H new ATOM 0 HA TYR A 77 9.198 2.600 1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.563 3.489 3.323 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.430 4.545 2.226 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.766 3.829 2.591 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.872 6.742 2.750 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.050 5.648 2.980 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.145 8.551 3.138 1.00 0.00 H new ATOM 0 HH TYR A 77 7.058 9.010 3.369 1.00 0.00 H new ATOM 1174 N CYS A 78 8.905 3.685 -0.756 1.00 0.00 N ATOM 1175 CA CYS A 78 8.631 4.393 -1.995 1.00 0.00 C ATOM 1176 C CYS A 78 8.066 5.772 -1.646 1.00 0.00 C ATOM 1177 O CYS A 78 8.652 6.794 -2.000 1.00 0.00 O ATOM 1178 CB CYS A 78 7.686 3.602 -2.902 1.00 0.00 C ATOM 1179 SG CYS A 78 8.504 2.067 -3.471 1.00 0.00 S ATOM 0 H CYS A 78 8.219 2.971 -0.512 1.00 0.00 H new ATOM 0 HA CYS A 78 9.555 4.513 -2.560 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.771 3.358 -2.363 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.398 4.210 -3.760 1.00 0.00 H new ATOM 0 HG CYS A 78 9.283 1.617 -2.533 1.00 0.00 H new ATOM 1185 N GLY A 79 6.935 5.755 -0.956 1.00 0.00 N ATOM 1186 CA GLY A 79 6.285 6.991 -0.555 1.00 0.00 C ATOM 1187 C GLY A 79 4.846 6.732 -0.106 1.00 0.00 C ATOM 1188 O GLY A 79 4.472 5.592 0.166 1.00 0.00 O ATOM 0 H GLY A 79 6.452 4.905 -0.665 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.845 7.454 0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 79 6.289 7.695 -1.387 1.00 0.00 H new ATOM 1192 N ASP A 80 4.077 7.809 -0.041 1.00 0.00 N ATOM 1193 CA ASP A 80 2.687 7.713 0.371 1.00 0.00 C ATOM 1194 C ASP A 80 1.796 7.628 -0.870 1.00 0.00 C ATOM 1195 O ASP A 80 2.283 7.720 -1.996 1.00 0.00 O ATOM 1196 CB ASP A 80 2.264 8.945 1.173 1.00 0.00 C ATOM 1197 CG ASP A 80 2.601 10.288 0.522 1.00 0.00 C ATOM 1198 OD1 ASP A 80 3.015 10.259 -0.658 1.00 0.00 O ATOM 1199 OD2 ASP A 80 2.439 11.313 1.218 1.00 0.00 O ATOM 0 H ASP A 80 4.390 8.753 -0.267 1.00 0.00 H new ATOM 0 HA ASP A 80 2.580 6.824 0.992 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.188 8.899 1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.741 8.903 2.152 1.00 0.00 H new ATOM 1204 N TYR A 81 0.506 7.452 -0.623 1.00 0.00 N ATOM 1205 CA TYR A 81 -0.457 7.354 -1.706 1.00 0.00 C ATOM 1206 C TYR A 81 -0.303 8.520 -2.685 1.00 0.00 C ATOM 1207 O TYR A 81 -0.450 8.345 -3.893 1.00 0.00 O ATOM 1208 CB TYR A 81 -1.838 7.431 -1.052 1.00 0.00 C ATOM 1209 CG TYR A 81 -2.977 7.709 -2.034 1.00 0.00 C ATOM 1210 CD1 TYR A 81 -3.168 8.985 -2.527 1.00 0.00 C ATOM 1211 CD2 TYR A 81 -3.815 6.686 -2.427 1.00 0.00 C ATOM 1212 CE1 TYR A 81 -4.240 9.246 -3.451 1.00 0.00 C ATOM 1213 CE2 TYR A 81 -4.887 6.947 -3.351 1.00 0.00 C ATOM 1214 CZ TYR A 81 -5.047 8.215 -3.818 1.00 0.00 C ATOM 1215 OH TYR A 81 -6.060 8.462 -4.691 1.00 0.00 O ATOM 0 H TYR A 81 0.106 7.375 0.312 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.311 6.430 -2.266 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -2.038 6.491 -0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.826 8.214 -0.294 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.513 9.787 -2.219 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -3.666 5.688 -2.041 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -4.400 10.239 -3.844 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -5.549 6.155 -3.667 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.129 7.722 -5.330 1.00 0.00 H new ATOM 1225 N GLU A 82 -0.009 9.685 -2.126 1.00 0.00 N ATOM 1226 CA GLU A 82 0.166 10.880 -2.934 1.00 0.00 C ATOM 1227 C GLU A 82 1.267 10.661 -3.973 1.00 0.00 C ATOM 1228 O GLU A 82 1.009 10.704 -5.175 1.00 0.00 O ATOM 1229 CB GLU A 82 0.474 12.094 -2.056 1.00 0.00 C ATOM 1230 CG GLU A 82 -0.737 12.476 -1.203 1.00 0.00 C ATOM 1231 CD GLU A 82 -1.234 13.880 -1.554 1.00 0.00 C ATOM 1232 OE1 GLU A 82 -2.044 13.976 -2.501 1.00 0.00 O ATOM 1233 OE2 GLU A 82 -0.793 14.826 -0.866 1.00 0.00 O ATOM 0 H GLU A 82 0.112 9.827 -1.123 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.768 11.080 -3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.323 11.873 -1.410 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.762 12.937 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.538 11.753 -1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.470 12.434 -0.147 1.00 0.00 H new ATOM 1240 N LEU A 83 2.472 10.430 -3.472 1.00 0.00 N ATOM 1241 CA LEU A 83 3.614 10.205 -4.343 1.00 0.00 C ATOM 1242 C LEU A 83 3.231 9.195 -5.426 1.00 0.00 C ATOM 1243 O LEU A 83 3.499 9.414 -6.607 1.00 0.00 O ATOM 1244 CB LEU A 83 4.839 9.794 -3.524 1.00 0.00 C ATOM 1245 CG LEU A 83 5.852 10.902 -3.230 1.00 0.00 C ATOM 1246 CD1 LEU A 83 5.183 12.082 -2.521 1.00 0.00 C ATOM 1247 CD2 LEU A 83 7.044 10.360 -2.439 1.00 0.00 C ATOM 0 H LEU A 83 2.682 10.394 -2.475 1.00 0.00 H new ATOM 0 HA LEU A 83 3.894 11.128 -4.851 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.495 9.382 -2.575 1.00 0.00 H new ATOM 0 HB3 LEU A 83 5.352 8.991 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 83 6.238 11.273 -4.180 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.925 12.856 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.395 12.488 -3.155 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.752 11.743 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 83 7.749 11.168 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.695 9.946 -1.493 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.539 9.579 -3.016 1.00 0.00 H new ATOM 1259 N PHE A 84 2.611 8.110 -4.987 1.00 0.00 N ATOM 1260 CA PHE A 84 2.189 7.065 -5.905 1.00 0.00 C ATOM 1261 C PHE A 84 1.372 7.648 -7.060 1.00 0.00 C ATOM 1262 O PHE A 84 1.678 7.403 -8.226 1.00 0.00 O ATOM 1263 CB PHE A 84 1.308 6.100 -5.109 1.00 0.00 C ATOM 1264 CG PHE A 84 1.168 4.716 -5.747 1.00 0.00 C ATOM 1265 CD1 PHE A 84 2.209 3.842 -5.711 1.00 0.00 C ATOM 1266 CD2 PHE A 84 0.001 4.360 -6.349 1.00 0.00 C ATOM 1267 CE1 PHE A 84 2.079 2.558 -6.303 1.00 0.00 C ATOM 1268 CE2 PHE A 84 -0.129 3.076 -6.941 1.00 0.00 C ATOM 1269 CZ PHE A 84 0.913 2.202 -6.905 1.00 0.00 C ATOM 0 H PHE A 84 2.390 7.931 -4.007 1.00 0.00 H new ATOM 0 HA PHE A 84 3.061 6.566 -6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.723 5.987 -4.108 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.317 6.539 -4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.135 4.124 -5.232 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.826 5.054 -6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.906 1.864 -6.275 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.055 2.793 -7.420 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.814 1.225 -7.355 1.00 0.00 H new ATOM 1279 N VAL A 85 0.350 8.408 -6.696 1.00 0.00 N ATOM 1280 CA VAL A 85 -0.513 9.027 -7.688 1.00 0.00 C ATOM 1281 C VAL A 85 0.325 9.936 -8.590 1.00 0.00 C ATOM 1282 O VAL A 85 0.150 9.939 -9.808 1.00 0.00 O ATOM 1283 CB VAL A 85 -1.660 9.766 -6.995 1.00 0.00 C ATOM 1284 CG1 VAL A 85 -1.436 11.279 -7.026 1.00 0.00 C ATOM 1285 CG2 VAL A 85 -3.006 9.398 -7.622 1.00 0.00 C ATOM 0 H VAL A 85 0.100 8.609 -5.728 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.970 8.269 -8.324 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.679 9.452 -5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.266 11.780 -6.527 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.505 11.520 -6.513 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.378 11.617 -8.061 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.805 9.936 -7.112 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.002 9.670 -8.678 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.172 8.325 -7.524 1.00 0.00 H new ATOM 1295 N GLU A 86 1.217 10.684 -7.958 1.00 0.00 N ATOM 1296 CA GLU A 86 2.082 11.595 -8.688 1.00 0.00 C ATOM 1297 C GLU A 86 2.700 10.886 -9.895 1.00 0.00 C ATOM 1298 O GLU A 86 2.446 11.264 -11.038 1.00 0.00 O ATOM 1299 CB GLU A 86 3.166 12.171 -7.776 1.00 0.00 C ATOM 1300 CG GLU A 86 3.223 13.696 -7.886 1.00 0.00 C ATOM 1301 CD GLU A 86 4.227 14.132 -8.955 1.00 0.00 C ATOM 1302 OE1 GLU A 86 5.439 14.064 -8.656 1.00 0.00 O ATOM 1303 OE2 GLU A 86 3.760 14.523 -10.047 1.00 0.00 O ATOM 0 H GLU A 86 1.360 10.678 -6.948 1.00 0.00 H new ATOM 0 HA GLU A 86 1.478 12.428 -9.050 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.967 11.885 -6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.134 11.747 -8.043 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.234 14.084 -8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.503 14.123 -6.923 1.00 0.00 H new ATOM 1310 N ALA A 87 3.500 9.872 -9.600 1.00 0.00 N ATOM 1311 CA ALA A 87 4.156 9.108 -10.647 1.00 0.00 C ATOM 1312 C ALA A 87 3.097 8.413 -11.506 1.00 0.00 C ATOM 1313 O ALA A 87 3.097 8.549 -12.728 1.00 0.00 O ATOM 1314 CB ALA A 87 5.137 8.117 -10.017 1.00 0.00 C ATOM 0 H ALA A 87 3.709 9.562 -8.651 1.00 0.00 H new ATOM 0 HA ALA A 87 4.730 9.766 -11.300 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.629 7.543 -10.802 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.886 8.662 -9.442 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.596 7.439 -9.357 1.00 0.00 H new ATOM 1320 N VAL A 88 2.220 7.684 -10.832 1.00 0.00 N ATOM 1321 CA VAL A 88 1.158 6.968 -11.518 1.00 0.00 C ATOM 1322 C VAL A 88 0.551 7.872 -12.593 1.00 0.00 C ATOM 1323 O VAL A 88 0.383 7.454 -13.738 1.00 0.00 O ATOM 1324 CB VAL A 88 0.125 6.468 -10.506 1.00 0.00 C ATOM 1325 CG1 VAL A 88 -1.245 6.287 -11.163 1.00 0.00 C ATOM 1326 CG2 VAL A 88 0.591 5.169 -9.844 1.00 0.00 C ATOM 0 H VAL A 88 2.223 7.574 -9.818 1.00 0.00 H new ATOM 0 HA VAL A 88 1.555 6.086 -12.020 1.00 0.00 H new ATOM 0 HB VAL A 88 0.025 7.225 -9.728 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -1.960 5.931 -10.421 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.584 7.241 -11.565 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.168 5.559 -11.971 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -0.161 4.835 -9.129 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.733 4.403 -10.606 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.533 5.343 -9.325 1.00 0.00 H new ATOM 1336 N GLU A 89 0.240 9.094 -12.187 1.00 0.00 N ATOM 1337 CA GLU A 89 -0.344 10.060 -13.102 1.00 0.00 C ATOM 1338 C GLU A 89 0.678 10.472 -14.163 1.00 0.00 C ATOM 1339 O GLU A 89 0.346 10.575 -15.343 1.00 0.00 O ATOM 1340 CB GLU A 89 -0.872 11.281 -12.346 1.00 0.00 C ATOM 1341 CG GLU A 89 -2.014 10.892 -11.405 1.00 0.00 C ATOM 1342 CD GLU A 89 -3.283 11.684 -11.727 1.00 0.00 C ATOM 1343 OE1 GLU A 89 -3.290 12.896 -11.420 1.00 0.00 O ATOM 1344 OE2 GLU A 89 -4.218 11.060 -12.274 1.00 0.00 O ATOM 0 H GLU A 89 0.381 9.437 -11.237 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.190 9.590 -13.604 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.064 11.736 -11.774 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.221 12.030 -13.057 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -2.215 9.824 -11.493 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.718 11.076 -10.372 1.00 0.00 H new ATOM 1351 N GLN A 90 1.901 10.696 -13.705 1.00 0.00 N ATOM 1352 CA GLN A 90 2.974 11.094 -14.600 1.00 0.00 C ATOM 1353 C GLN A 90 3.360 9.931 -15.517 1.00 0.00 C ATOM 1354 O GLN A 90 4.111 10.113 -16.473 1.00 0.00 O ATOM 1355 CB GLN A 90 4.186 11.598 -13.814 1.00 0.00 C ATOM 1356 CG GLN A 90 3.914 12.979 -13.213 1.00 0.00 C ATOM 1357 CD GLN A 90 3.643 14.010 -14.310 1.00 0.00 C ATOM 1358 OE1 GLN A 90 4.381 14.139 -15.273 1.00 0.00 O ATOM 1359 NE2 GLN A 90 2.546 14.736 -14.111 1.00 0.00 N ATOM 0 H GLN A 90 2.173 10.609 -12.726 1.00 0.00 H new ATOM 0 HA GLN A 90 2.617 11.917 -15.220 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.427 10.893 -13.019 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.055 11.648 -14.471 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.058 12.925 -12.540 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.769 13.295 -12.616 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.972 14.577 -13.283 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.279 15.452 -14.787 1.00 0.00 H new ATOM 1368 N ASP A 91 2.828 8.762 -15.191 1.00 0.00 N ATOM 1369 CA ASP A 91 3.108 7.570 -15.973 1.00 0.00 C ATOM 1370 C ASP A 91 4.564 7.153 -15.758 1.00 0.00 C ATOM 1371 O ASP A 91 5.086 6.309 -16.485 1.00 0.00 O ATOM 1372 CB ASP A 91 2.907 7.831 -17.467 1.00 0.00 C ATOM 1373 CG ASP A 91 2.076 6.777 -18.202 1.00 0.00 C ATOM 1374 OD1 ASP A 91 0.934 6.540 -17.753 1.00 0.00 O ATOM 1375 OD2 ASP A 91 2.602 6.232 -19.196 1.00 0.00 O ATOM 0 H ASP A 91 2.205 8.615 -14.397 1.00 0.00 H new ATOM 0 HA ASP A 91 2.423 6.786 -15.648 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.426 8.801 -17.589 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.885 7.898 -17.944 1.00 0.00 H new ATOM 1380 N THR A 92 5.179 7.765 -14.756 1.00 0.00 N ATOM 1381 CA THR A 92 6.565 7.468 -14.436 1.00 0.00 C ATOM 1382 C THR A 92 6.649 6.625 -13.163 1.00 0.00 C ATOM 1383 O THR A 92 7.706 6.541 -12.538 1.00 0.00 O ATOM 1384 CB THR A 92 7.321 8.795 -14.338 1.00 0.00 C ATOM 1385 OG1 THR A 92 6.533 9.579 -13.447 1.00 0.00 O ATOM 1386 CG2 THR A 92 7.296 9.582 -15.649 1.00 0.00 C ATOM 0 H THR A 92 4.743 8.465 -14.156 1.00 0.00 H new ATOM 0 HA THR A 92 7.032 6.868 -15.217 1.00 0.00 H new ATOM 0 HB THR A 92 8.355 8.603 -14.050 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.952 10.456 -13.325 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.847 10.514 -15.524 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.760 8.990 -16.438 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.264 9.804 -15.921 1.00 0.00 H new ATOM 1394 N LEU A 93 5.523 6.020 -12.816 1.00 0.00 N ATOM 1395 CA LEU A 93 5.456 5.186 -11.628 1.00 0.00 C ATOM 1396 C LEU A 93 6.659 4.241 -11.606 1.00 0.00 C ATOM 1397 O LEU A 93 7.278 4.043 -10.561 1.00 0.00 O ATOM 1398 CB LEU A 93 4.108 4.467 -11.554 1.00 0.00 C ATOM 1399 CG LEU A 93 3.874 3.607 -10.310 1.00 0.00 C ATOM 1400 CD1 LEU A 93 4.398 2.185 -10.519 1.00 0.00 C ATOM 1401 CD2 LEU A 93 4.479 4.264 -9.067 1.00 0.00 C ATOM 0 H LEU A 93 4.649 6.091 -13.337 1.00 0.00 H new ATOM 0 HA LEU A 93 5.514 5.798 -10.728 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.316 5.214 -11.609 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.008 3.832 -12.434 1.00 0.00 H new ATOM 0 HG LEU A 93 2.799 3.533 -10.144 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.219 1.595 -9.620 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.881 1.727 -11.362 1.00 0.00 H new ATOM 0 HD13 LEU A 93 5.468 2.218 -10.724 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.299 3.632 -8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.553 4.390 -9.208 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.017 5.239 -8.909 1.00 0.00 H new ATOM 1413 N GLN A 94 6.954 3.682 -12.770 1.00 0.00 N ATOM 1414 CA GLN A 94 8.072 2.763 -12.897 1.00 0.00 C ATOM 1415 C GLN A 94 9.332 3.371 -12.278 1.00 0.00 C ATOM 1416 O GLN A 94 10.228 2.647 -11.846 1.00 0.00 O ATOM 1417 CB GLN A 94 8.308 2.385 -14.361 1.00 0.00 C ATOM 1418 CG GLN A 94 7.306 1.324 -14.821 1.00 0.00 C ATOM 1419 CD GLN A 94 7.486 1.008 -16.308 1.00 0.00 C ATOM 1420 OE1 GLN A 94 8.355 1.539 -16.981 1.00 0.00 O ATOM 1421 NE2 GLN A 94 6.619 0.118 -16.780 1.00 0.00 N ATOM 0 H GLN A 94 6.438 3.848 -13.634 1.00 0.00 H new ATOM 0 HA GLN A 94 7.829 1.849 -12.355 1.00 0.00 H new ATOM 0 HB2 GLN A 94 8.218 3.272 -14.988 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.324 2.009 -14.484 1.00 0.00 H new ATOM 0 HG2 GLN A 94 7.438 0.415 -14.234 1.00 0.00 H new ATOM 0 HG3 GLN A 94 6.290 1.675 -14.641 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.917 -0.288 -16.161 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.656 -0.159 -17.761 1.00 0.00 H new ATOM 1430 N GLU A 95 9.362 4.696 -12.256 1.00 0.00 N ATOM 1431 CA GLU A 95 10.498 5.409 -11.697 1.00 0.00 C ATOM 1432 C GLU A 95 10.395 5.459 -10.171 1.00 0.00 C ATOM 1433 O GLU A 95 11.319 5.052 -9.469 1.00 0.00 O ATOM 1434 CB GLU A 95 10.604 6.817 -12.286 1.00 0.00 C ATOM 1435 CG GLU A 95 12.032 7.110 -12.752 1.00 0.00 C ATOM 1436 CD GLU A 95 12.063 7.445 -14.245 1.00 0.00 C ATOM 1437 OE1 GLU A 95 11.578 8.544 -14.590 1.00 0.00 O ATOM 1438 OE2 GLU A 95 12.572 6.594 -15.006 1.00 0.00 O ATOM 0 H GLU A 95 8.618 5.294 -12.616 1.00 0.00 H new ATOM 0 HA GLU A 95 11.407 4.870 -11.962 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.916 6.917 -13.125 1.00 0.00 H new ATOM 0 HB3 GLU A 95 10.304 7.551 -11.539 1.00 0.00 H new ATOM 0 HG2 GLU A 95 12.441 7.943 -12.180 1.00 0.00 H new ATOM 0 HG3 GLU A 95 12.667 6.246 -12.556 1.00 0.00 H new ATOM 1445 N PHE A 96 9.262 5.962 -9.703 1.00 0.00 N ATOM 1446 CA PHE A 96 9.026 6.070 -8.273 1.00 0.00 C ATOM 1447 C PHE A 96 9.348 4.754 -7.563 1.00 0.00 C ATOM 1448 O PHE A 96 10.229 4.706 -6.706 1.00 0.00 O ATOM 1449 CB PHE A 96 7.541 6.386 -8.087 1.00 0.00 C ATOM 1450 CG PHE A 96 7.083 6.390 -6.628 1.00 0.00 C ATOM 1451 CD1 PHE A 96 7.670 7.230 -5.733 1.00 0.00 C ATOM 1452 CD2 PHE A 96 6.089 5.555 -6.224 1.00 0.00 C ATOM 1453 CE1 PHE A 96 7.245 7.234 -4.378 1.00 0.00 C ATOM 1454 CE2 PHE A 96 5.664 5.559 -4.869 1.00 0.00 C ATOM 1455 CZ PHE A 96 6.251 6.398 -3.975 1.00 0.00 C ATOM 0 H PHE A 96 8.498 6.299 -10.288 1.00 0.00 H new ATOM 0 HA PHE A 96 9.663 6.846 -7.849 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.330 7.361 -8.526 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.952 5.654 -8.640 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.459 7.894 -6.053 1.00 0.00 H new ATOM 0 HD2 PHE A 96 5.622 4.888 -6.934 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.711 7.901 -3.668 1.00 0.00 H new ATOM 0 HE2 PHE A 96 4.874 4.895 -4.549 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.928 6.401 -2.944 1.00 0.00 H new ATOM 1465 N LEU A 97 8.616 3.718 -7.946 1.00 0.00 N ATOM 1466 CA LEU A 97 8.812 2.404 -7.356 1.00 0.00 C ATOM 1467 C LEU A 97 10.243 1.936 -7.630 1.00 0.00 C ATOM 1468 O LEU A 97 11.090 2.726 -8.043 1.00 0.00 O ATOM 1469 CB LEU A 97 7.741 1.430 -7.849 1.00 0.00 C ATOM 1470 CG LEU A 97 6.291 1.831 -7.571 1.00 0.00 C ATOM 1471 CD1 LEU A 97 5.320 0.757 -8.067 1.00 0.00 C ATOM 1472 CD2 LEU A 97 6.084 2.148 -6.088 1.00 0.00 C ATOM 0 H LEU A 97 7.886 3.762 -8.657 1.00 0.00 H new ATOM 0 HA LEU A 97 8.693 2.450 -6.274 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.862 1.302 -8.925 1.00 0.00 H new ATOM 0 HB3 LEU A 97 7.923 0.458 -7.390 1.00 0.00 H new ATOM 0 HG LEU A 97 6.076 2.743 -8.129 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.296 1.067 -7.857 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.445 0.622 -9.141 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.526 -0.184 -7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.045 2.430 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.324 1.268 -5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 97 6.736 2.972 -5.798 1.00 0.00 H new ATOM 1484 N LYS A 98 10.467 0.652 -7.390 1.00 0.00 N ATOM 1485 CA LYS A 98 11.780 0.069 -7.606 1.00 0.00 C ATOM 1486 C LYS A 98 11.743 -0.811 -8.858 1.00 0.00 C ATOM 1487 O LYS A 98 12.126 -1.979 -8.811 1.00 0.00 O ATOM 1488 CB LYS A 98 12.253 -0.667 -6.351 1.00 0.00 C ATOM 1489 CG LYS A 98 13.659 -0.219 -5.949 1.00 0.00 C ATOM 1490 CD LYS A 98 13.608 1.063 -5.115 1.00 0.00 C ATOM 1491 CE LYS A 98 14.904 1.254 -4.323 1.00 0.00 C ATOM 1492 NZ LYS A 98 15.372 2.654 -4.425 1.00 0.00 N ATOM 0 H LYS A 98 9.761 -0.000 -7.048 1.00 0.00 H new ATOM 0 HA LYS A 98 12.518 0.850 -7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.559 -0.478 -5.532 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.248 -1.742 -6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.147 -1.009 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 98 14.261 -0.052 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.447 1.920 -5.769 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.761 1.022 -4.430 1.00 0.00 H new ATOM 0 HE2 LYS A 98 14.740 0.995 -3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 98 15.672 0.579 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 16.252 2.766 -3.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 15.548 2.889 -5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 14.645 3.292 -4.042 1.00 0.00 H new ATOM 1506 N LEU A 99 11.279 -0.216 -9.947 1.00 0.00 N ATOM 1507 CA LEU A 99 11.186 -0.931 -11.208 1.00 0.00 C ATOM 1508 C LEU A 99 12.246 -0.394 -12.172 1.00 0.00 C ATOM 1509 O LEU A 99 12.951 -1.167 -12.819 1.00 0.00 O ATOM 1510 CB LEU A 99 9.761 -0.862 -11.761 1.00 0.00 C ATOM 1511 CG LEU A 99 8.718 -1.714 -11.034 1.00 0.00 C ATOM 1512 CD1 LEU A 99 8.263 -1.036 -9.739 1.00 0.00 C ATOM 1513 CD2 LEU A 99 7.541 -2.042 -11.953 1.00 0.00 C ATOM 0 H LEU A 99 10.963 0.753 -9.982 1.00 0.00 H new ATOM 0 HA LEU A 99 11.394 -1.991 -11.061 1.00 0.00 H new ATOM 0 HB2 LEU A 99 9.433 0.177 -11.737 1.00 0.00 H new ATOM 0 HB3 LEU A 99 9.783 -1.165 -12.808 1.00 0.00 H new ATOM 0 HG LEU A 99 9.183 -2.660 -10.757 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.522 -1.662 -9.242 1.00 0.00 H new ATOM 0 HD12 LEU A 99 9.121 -0.896 -9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 99 7.822 -0.067 -9.971 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.815 -2.648 -11.412 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.068 -1.117 -12.283 1.00 0.00 H new ATOM 0 HD23 LEU A 99 7.900 -2.595 -12.821 1.00 0.00 H new ATOM 1525 N ALA A 100 12.325 0.927 -12.238 1.00 0.00 N ATOM 1526 CA ALA A 100 13.287 1.576 -13.112 1.00 0.00 C ATOM 1527 C ALA A 100 14.299 2.350 -12.265 1.00 0.00 C ATOM 1528 O ALA A 100 15.061 1.755 -11.504 1.00 0.00 O ATOM 1529 CB ALA A 100 12.549 2.477 -14.105 1.00 0.00 C ATOM 0 H ALA A 100 11.738 1.565 -11.700 1.00 0.00 H new ATOM 0 HA ALA A 100 13.839 0.835 -13.691 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.271 2.964 -14.761 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.864 1.875 -14.703 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.986 3.234 -13.560 1.00 0.00 H new