USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 609 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 60 ASN : amide:sc= -2.39! K(o=-4.1!,f=1.8) USER MOD Set 1.2: A 79 SER OG : rot -120:sc= -1.74! USER MOD Single : A 12 CYS SG : rot 39:sc= -1.38 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 19:sc= 0.697 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 130:sc= -0.446 USER MOD Single : A 36 MET CE :methyl -124:sc= -0.758 (180deg=-6.51!) USER MOD Single : A 37 THR OG1 : rot -136:sc= -0.323 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.0394 X(o=-0.039,f=0) USER MOD Single : A 63 ASN : amide:sc=-0.00345 X(o=-0.0034,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HD1:sc= -1.16 X(o=-1.2,f=-1.4) USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.815) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0113) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -168:sc=-0.00641 (180deg=-0.289) USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= -0.196 (180deg=-0.256) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 9 -0.462 -8.262 -12.373 1.00 0.00 N ATOM 84 CA PRO A 9 -0.740 -7.272 -11.328 1.00 0.00 C ATOM 85 C PRO A 9 -0.451 -5.847 -11.788 1.00 0.00 C ATOM 86 O PRO A 9 -0.118 -5.615 -12.950 1.00 0.00 O ATOM 87 CB PRO A 9 0.211 -7.672 -10.198 1.00 0.00 C ATOM 88 CG PRO A 9 1.328 -8.386 -10.878 1.00 0.00 C ATOM 89 CD PRO A 9 0.713 -9.090 -12.056 1.00 0.00 C ATOM 0 HA PRO A 9 -1.791 -7.270 -11.038 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.572 -6.798 -9.656 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.286 -8.315 -9.471 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.099 -7.687 -11.200 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.805 -9.097 -10.203 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.404 -9.145 -12.897 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.429 -10.113 -11.809 1.00 0.00 H new ATOM 97 N ARG A 10 -0.581 -4.896 -10.869 1.00 0.00 N ATOM 98 CA ARG A 10 -0.334 -3.493 -11.181 1.00 0.00 C ATOM 99 C ARG A 10 0.872 -2.968 -10.408 1.00 0.00 C ATOM 100 O ARG A 10 0.927 -3.064 -9.181 1.00 0.00 O ATOM 101 CB ARG A 10 -1.569 -2.651 -10.854 1.00 0.00 C ATOM 102 CG ARG A 10 -1.436 -1.192 -11.259 1.00 0.00 C ATOM 103 CD ARG A 10 -1.561 -1.018 -12.764 1.00 0.00 C ATOM 104 NE ARG A 10 -2.864 -1.454 -13.259 1.00 0.00 N ATOM 105 CZ ARG A 10 -3.162 -1.562 -14.549 1.00 0.00 C ATOM 106 NH1 ARG A 10 -2.253 -1.269 -15.469 1.00 0.00 N ATOM 107 NH2 ARG A 10 -4.370 -1.965 -14.921 1.00 0.00 N ATOM 0 H ARG A 10 -0.856 -5.071 -9.902 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.122 -3.416 -12.247 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.435 -3.081 -11.357 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.762 -2.706 -9.783 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.204 -0.603 -10.759 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.472 -0.807 -10.926 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.407 0.030 -13.022 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.775 -1.587 -13.261 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.585 -1.688 -12.577 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.323 -0.960 -15.187 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.484 -1.353 -16.459 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.071 -2.192 -14.216 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.597 -2.047 -15.912 1.00 0.00 H new ATOM 121 N LEU A 11 1.837 -2.413 -11.133 1.00 0.00 N ATOM 122 CA LEU A 11 3.044 -1.873 -10.516 1.00 0.00 C ATOM 123 C LEU A 11 2.814 -0.446 -10.028 1.00 0.00 C ATOM 124 O LEU A 11 2.604 0.467 -10.827 1.00 0.00 O ATOM 125 CB LEU A 11 4.206 -1.903 -11.510 1.00 0.00 C ATOM 126 CG LEU A 11 5.589 -1.600 -10.934 1.00 0.00 C ATOM 127 CD1 LEU A 11 5.614 -0.216 -10.305 1.00 0.00 C ATOM 128 CD2 LEU A 11 5.987 -2.658 -9.916 1.00 0.00 C ATOM 0 H LEU A 11 1.807 -2.325 -12.149 1.00 0.00 H new ATOM 0 HA LEU A 11 3.293 -2.496 -9.657 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.236 -2.889 -11.974 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.999 -1.184 -12.302 1.00 0.00 H new ATOM 0 HG LEU A 11 6.312 -1.619 -11.749 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.607 -0.018 -9.900 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.375 0.532 -11.061 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.879 -0.168 -9.502 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.974 -2.426 -9.517 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.261 -2.672 -9.103 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.011 -3.635 -10.398 1.00 0.00 H new ATOM 140 N CYS A 12 2.856 -0.263 -8.713 1.00 0.00 N ATOM 141 CA CYS A 12 2.654 1.054 -8.118 1.00 0.00 C ATOM 142 C CYS A 12 3.987 1.688 -7.736 1.00 0.00 C ATOM 143 O CYS A 12 4.567 1.362 -6.700 1.00 0.00 O ATOM 144 CB CYS A 12 1.754 0.947 -6.886 1.00 0.00 C ATOM 145 SG CYS A 12 0.275 -0.063 -7.137 1.00 0.00 S ATOM 0 H CYS A 12 3.028 -1.009 -8.039 1.00 0.00 H new ATOM 0 HA CYS A 12 2.169 1.690 -8.859 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.332 0.527 -6.063 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.450 1.949 -6.584 1.00 0.00 H new ATOM 0 HG CYS A 12 0.575 -1.098 -7.864 1.00 0.00 H new ATOM 151 N TYR A 13 4.468 2.595 -8.579 1.00 0.00 N ATOM 152 CA TYR A 13 5.735 3.272 -8.332 1.00 0.00 C ATOM 153 C TYR A 13 5.530 4.512 -7.467 1.00 0.00 C ATOM 154 O TYR A 13 5.064 5.547 -7.945 1.00 0.00 O ATOM 155 CB TYR A 13 6.395 3.664 -9.655 1.00 0.00 C ATOM 156 CG TYR A 13 7.906 3.633 -9.611 1.00 0.00 C ATOM 157 CD1 TYR A 13 8.599 2.432 -9.698 1.00 0.00 C ATOM 158 CD2 TYR A 13 8.641 4.805 -9.479 1.00 0.00 C ATOM 159 CE1 TYR A 13 9.979 2.399 -9.657 1.00 0.00 C ATOM 160 CE2 TYR A 13 10.021 4.782 -9.439 1.00 0.00 C ATOM 161 CZ TYR A 13 10.686 3.576 -9.528 1.00 0.00 C ATOM 162 OH TYR A 13 12.061 3.549 -9.487 1.00 0.00 O ATOM 0 H TYR A 13 3.999 2.878 -9.440 1.00 0.00 H new ATOM 0 HA TYR A 13 6.388 2.582 -7.798 1.00 0.00 H new ATOM 0 HB2 TYR A 13 6.049 2.989 -10.438 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.069 4.667 -9.931 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.049 1.508 -9.799 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.124 5.750 -9.406 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.502 1.456 -9.726 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.577 5.703 -9.339 1.00 0.00 H new ATOM 0 HH TYR A 13 12.404 4.463 -9.394 1.00 0.00 H new ATOM 172 N LEU A 14 5.882 4.400 -6.191 1.00 0.00 N ATOM 173 CA LEU A 14 5.739 5.511 -5.257 1.00 0.00 C ATOM 174 C LEU A 14 6.999 6.371 -5.235 1.00 0.00 C ATOM 175 O LEU A 14 8.115 5.853 -5.206 1.00 0.00 O ATOM 176 CB LEU A 14 5.441 4.986 -3.851 1.00 0.00 C ATOM 177 CG LEU A 14 3.982 4.635 -3.560 1.00 0.00 C ATOM 178 CD1 LEU A 14 3.244 5.841 -2.999 1.00 0.00 C ATOM 179 CD2 LEU A 14 3.295 4.126 -4.819 1.00 0.00 C ATOM 0 H LEU A 14 6.269 3.551 -5.779 1.00 0.00 H new ATOM 0 HA LEU A 14 4.906 6.129 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.048 4.097 -3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.764 5.736 -3.129 1.00 0.00 H new ATOM 0 HG LEU A 14 3.961 3.842 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.207 5.572 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.722 6.162 -2.073 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.274 6.655 -3.723 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.257 3.881 -4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.327 4.898 -5.588 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.808 3.234 -5.178 1.00 0.00 H new ATOM 191 N VAL A 15 6.811 7.687 -5.248 1.00 0.00 N ATOM 192 CA VAL A 15 7.932 8.619 -5.226 1.00 0.00 C ATOM 193 C VAL A 15 7.753 9.669 -4.136 1.00 0.00 C ATOM 194 O VAL A 15 6.687 10.271 -4.008 1.00 0.00 O ATOM 195 CB VAL A 15 8.099 9.327 -6.584 1.00 0.00 C ATOM 196 CG1 VAL A 15 9.201 10.373 -6.508 1.00 0.00 C ATOM 197 CG2 VAL A 15 8.388 8.314 -7.681 1.00 0.00 C ATOM 0 H VAL A 15 5.893 8.131 -5.274 1.00 0.00 H new ATOM 0 HA VAL A 15 8.827 8.033 -5.017 1.00 0.00 H new ATOM 0 HB VAL A 15 7.165 9.834 -6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.305 10.863 -7.476 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.947 11.115 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 15 10.142 9.891 -6.242 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.503 8.832 -8.633 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.307 7.776 -7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.561 7.607 -7.750 1.00 0.00 H new ATOM 207 N LYS A 16 8.803 9.884 -3.351 1.00 0.00 N ATOM 208 CA LYS A 16 8.764 10.863 -2.271 1.00 0.00 C ATOM 209 C LYS A 16 8.457 12.257 -2.811 1.00 0.00 C ATOM 210 O LYS A 16 9.360 12.988 -3.215 1.00 0.00 O ATOM 211 CB LYS A 16 10.098 10.878 -1.521 1.00 0.00 C ATOM 212 CG LYS A 16 10.167 9.874 -0.383 1.00 0.00 C ATOM 213 CD LYS A 16 11.428 10.055 0.444 1.00 0.00 C ATOM 214 CE LYS A 16 11.321 9.347 1.787 1.00 0.00 C ATOM 215 NZ LYS A 16 12.616 9.351 2.521 1.00 0.00 N ATOM 0 H LYS A 16 9.692 9.393 -3.443 1.00 0.00 H new ATOM 0 HA LYS A 16 7.969 10.576 -1.582 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.904 10.672 -2.226 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.270 11.878 -1.123 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.292 9.987 0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.138 8.862 -0.787 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.284 9.666 -0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.609 11.118 0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.558 9.834 2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.996 8.319 1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.501 8.859 3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.338 8.864 1.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.914 10.332 2.693 1.00 0.00 H new ATOM 229 N GLU A 17 7.177 12.617 -2.813 1.00 0.00 N ATOM 230 CA GLU A 17 6.753 13.923 -3.302 1.00 0.00 C ATOM 231 C GLU A 17 6.434 14.862 -2.142 1.00 0.00 C ATOM 232 O GLU A 17 6.718 16.057 -2.201 1.00 0.00 O ATOM 233 CB GLU A 17 5.527 13.779 -4.207 1.00 0.00 C ATOM 234 CG GLU A 17 4.927 15.108 -4.635 1.00 0.00 C ATOM 235 CD GLU A 17 5.653 15.723 -5.816 1.00 0.00 C ATOM 236 OE1 GLU A 17 6.899 15.646 -5.853 1.00 0.00 O ATOM 237 OE2 GLU A 17 4.974 16.280 -6.704 1.00 0.00 O ATOM 0 H GLU A 17 6.417 12.023 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 17 7.574 14.351 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.806 13.213 -5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.767 13.198 -3.685 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.878 14.962 -4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.954 15.802 -3.795 1.00 0.00 H new ATOM 244 N GLY A 18 5.842 14.310 -1.087 1.00 0.00 N ATOM 245 CA GLY A 18 5.494 15.111 0.071 1.00 0.00 C ATOM 246 C GLY A 18 5.939 14.473 1.372 1.00 0.00 C ATOM 247 O GLY A 18 6.448 13.353 1.381 1.00 0.00 O ATOM 0 H GLY A 18 5.597 13.322 -1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.951 16.096 -0.022 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.415 15.261 0.094 1.00 0.00 H new ATOM 251 N GLY A 19 5.749 15.190 2.477 1.00 0.00 N ATOM 252 CA GLY A 19 6.142 14.671 3.774 1.00 0.00 C ATOM 253 C GLY A 19 5.958 13.170 3.878 1.00 0.00 C ATOM 254 O GLY A 19 6.865 12.455 4.306 1.00 0.00 O ATOM 0 H GLY A 19 5.330 16.120 2.496 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.187 14.920 3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.555 15.161 4.551 1.00 0.00 H new ATOM 258 N SER A 20 4.782 12.691 3.487 1.00 0.00 N ATOM 259 CA SER A 20 4.480 11.265 3.544 1.00 0.00 C ATOM 260 C SER A 20 4.028 10.751 2.181 1.00 0.00 C ATOM 261 O SER A 20 3.242 11.399 1.490 1.00 0.00 O ATOM 262 CB SER A 20 3.397 10.992 4.590 1.00 0.00 C ATOM 263 OG SER A 20 2.208 11.703 4.289 1.00 0.00 O ATOM 0 H SER A 20 4.022 13.269 3.127 1.00 0.00 H new ATOM 0 HA SER A 20 5.390 10.737 3.829 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.186 9.923 4.629 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.758 11.282 5.577 1.00 0.00 H new ATOM 0 HG SER A 20 1.531 11.511 4.971 1.00 0.00 H new ATOM 269 N TYR A 21 4.530 9.581 1.800 1.00 0.00 N ATOM 270 CA TYR A 21 4.181 8.980 0.519 1.00 0.00 C ATOM 271 C TYR A 21 2.688 9.126 0.238 1.00 0.00 C ATOM 272 O TYR A 21 2.287 9.806 -0.706 1.00 0.00 O ATOM 273 CB TYR A 21 4.572 7.501 0.502 1.00 0.00 C ATOM 274 CG TYR A 21 6.011 7.260 0.107 1.00 0.00 C ATOM 275 CD1 TYR A 21 6.432 7.445 -1.204 1.00 0.00 C ATOM 276 CD2 TYR A 21 6.950 6.845 1.044 1.00 0.00 C ATOM 277 CE1 TYR A 21 7.746 7.225 -1.570 1.00 0.00 C ATOM 278 CE2 TYR A 21 8.266 6.624 0.687 1.00 0.00 C ATOM 279 CZ TYR A 21 8.659 6.816 -0.621 1.00 0.00 C ATOM 280 OH TYR A 21 9.969 6.595 -0.981 1.00 0.00 O ATOM 0 H TYR A 21 5.180 9.030 2.361 1.00 0.00 H new ATOM 0 HA TYR A 21 4.733 9.504 -0.262 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.400 7.077 1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 21 3.920 6.969 -0.191 1.00 0.00 H new ATOM 0 HD1 TYR A 21 5.720 7.766 -1.950 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.645 6.693 2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 21 8.056 7.373 -2.594 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.983 6.303 1.428 1.00 0.00 H new ATOM 0 HH TYR A 21 10.156 7.047 -1.830 1.00 0.00 H new ATOM 290 N GLY A 22 1.871 8.482 1.065 1.00 0.00 N ATOM 291 CA GLY A 22 0.432 8.552 0.890 1.00 0.00 C ATOM 292 C GLY A 22 -0.241 7.207 1.076 1.00 0.00 C ATOM 293 O GLY A 22 -1.270 6.929 0.459 1.00 0.00 O ATOM 0 H GLY A 22 2.180 7.913 1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.017 9.264 1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.208 8.932 -0.107 1.00 0.00 H new ATOM 297 N PHE A 23 0.341 6.368 1.927 1.00 0.00 N ATOM 298 CA PHE A 23 -0.208 5.043 2.190 1.00 0.00 C ATOM 299 C PHE A 23 0.138 4.582 3.603 1.00 0.00 C ATOM 300 O PHE A 23 1.163 4.972 4.161 1.00 0.00 O ATOM 301 CB PHE A 23 0.323 4.036 1.168 1.00 0.00 C ATOM 302 CG PHE A 23 1.802 3.797 1.275 1.00 0.00 C ATOM 303 CD1 PHE A 23 2.322 3.041 2.313 1.00 0.00 C ATOM 304 CD2 PHE A 23 2.673 4.329 0.337 1.00 0.00 C ATOM 305 CE1 PHE A 23 3.682 2.818 2.414 1.00 0.00 C ATOM 306 CE2 PHE A 23 4.034 4.110 0.433 1.00 0.00 C ATOM 307 CZ PHE A 23 4.539 3.355 1.474 1.00 0.00 C ATOM 0 H PHE A 23 1.193 6.582 2.446 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.293 5.102 2.102 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.200 3.089 1.297 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.092 4.393 0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 23 1.656 2.621 3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.284 4.921 -0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.074 2.225 3.227 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.702 4.529 -0.305 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.603 3.185 1.552 1.00 0.00 H new ATOM 317 N SER A 24 -0.726 3.750 4.175 1.00 0.00 N ATOM 318 CA SER A 24 -0.516 3.238 5.524 1.00 0.00 C ATOM 319 C SER A 24 -0.494 1.713 5.530 1.00 0.00 C ATOM 320 O SER A 24 -1.220 1.067 4.773 1.00 0.00 O ATOM 321 CB SER A 24 -1.612 3.747 6.463 1.00 0.00 C ATOM 322 OG SER A 24 -1.634 5.164 6.500 1.00 0.00 O ATOM 0 H SER A 24 -1.578 3.416 3.725 1.00 0.00 H new ATOM 0 HA SER A 24 0.450 3.599 5.876 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.581 3.374 6.132 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.446 3.356 7.467 1.00 0.00 H new ATOM 0 HG SER A 24 -2.344 5.464 7.105 1.00 0.00 H new ATOM 328 N LEU A 25 0.344 1.143 6.388 1.00 0.00 N ATOM 329 CA LEU A 25 0.462 -0.307 6.494 1.00 0.00 C ATOM 330 C LEU A 25 -0.007 -0.794 7.861 1.00 0.00 C ATOM 331 O LEU A 25 0.228 -0.142 8.879 1.00 0.00 O ATOM 332 CB LEU A 25 1.910 -0.740 6.256 1.00 0.00 C ATOM 333 CG LEU A 25 2.549 -0.258 4.952 1.00 0.00 C ATOM 334 CD1 LEU A 25 4.064 -0.234 5.078 1.00 0.00 C ATOM 335 CD2 LEU A 25 2.122 -1.144 3.791 1.00 0.00 C ATOM 0 H LEU A 25 0.952 1.663 7.021 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.175 -0.754 5.731 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.517 -0.383 7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.951 -1.829 6.276 1.00 0.00 H new ATOM 0 HG LEU A 25 2.206 0.757 4.754 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.502 0.111 4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.351 0.442 5.884 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.427 -1.238 5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.586 -0.787 2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.437 -2.170 3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.037 -1.110 3.687 1.00 0.00 H new ATOM 347 N LYS A 26 -0.671 -1.945 7.878 1.00 0.00 N ATOM 348 CA LYS A 26 -1.172 -2.522 9.120 1.00 0.00 C ATOM 349 C LYS A 26 -1.120 -4.046 9.071 1.00 0.00 C ATOM 350 O LYS A 26 -1.203 -4.646 7.999 1.00 0.00 O ATOM 351 CB LYS A 26 -2.606 -2.057 9.381 1.00 0.00 C ATOM 352 CG LYS A 26 -3.581 -2.448 8.284 1.00 0.00 C ATOM 353 CD LYS A 26 -4.972 -1.899 8.552 1.00 0.00 C ATOM 354 CE LYS A 26 -5.811 -2.877 9.360 1.00 0.00 C ATOM 355 NZ LYS A 26 -6.969 -2.206 10.013 1.00 0.00 N ATOM 0 H LYS A 26 -0.875 -2.497 7.045 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.533 -2.180 9.934 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.949 -2.477 10.327 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.613 -0.973 9.492 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.220 -2.075 7.325 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.626 -3.534 8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.894 -0.954 9.090 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.469 -1.687 7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.172 -3.671 8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.188 -3.348 10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.516 -2.906 10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.624 -1.465 10.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.577 -1.778 9.286 1.00 0.00 H new ATOM 369 N THR A 27 -0.985 -4.666 10.239 1.00 0.00 N ATOM 370 CA THR A 27 -0.923 -6.120 10.329 1.00 0.00 C ATOM 371 C THR A 27 -2.237 -6.695 10.845 1.00 0.00 C ATOM 372 O THR A 27 -2.911 -6.084 11.675 1.00 0.00 O ATOM 373 CB THR A 27 0.222 -6.577 11.253 1.00 0.00 C ATOM 374 OG1 THR A 27 0.038 -6.036 12.566 1.00 0.00 O ATOM 375 CG2 THR A 27 1.570 -6.138 10.701 1.00 0.00 C ATOM 0 H THR A 27 -0.917 -4.184 11.136 1.00 0.00 H new ATOM 0 HA THR A 27 -0.737 -6.492 9.321 1.00 0.00 H new ATOM 0 HB THR A 27 0.206 -7.666 11.305 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.769 -6.333 13.147 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.363 -6.472 11.370 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.719 -6.576 9.714 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.595 -5.051 10.623 1.00 0.00 H new ATOM 383 N VAL A 28 -2.597 -7.874 10.348 1.00 0.00 N ATOM 384 CA VAL A 28 -3.831 -8.533 10.761 1.00 0.00 C ATOM 385 C VAL A 28 -3.562 -9.958 11.231 1.00 0.00 C ATOM 386 O VAL A 28 -2.863 -10.720 10.564 1.00 0.00 O ATOM 387 CB VAL A 28 -4.859 -8.568 9.614 1.00 0.00 C ATOM 388 CG1 VAL A 28 -6.130 -9.275 10.058 1.00 0.00 C ATOM 389 CG2 VAL A 28 -5.165 -7.158 9.131 1.00 0.00 C ATOM 0 H VAL A 28 -2.052 -8.392 9.659 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.239 -7.952 11.588 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.431 -9.128 8.782 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.844 -9.290 9.235 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.894 -10.298 10.352 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.564 -8.745 10.906 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.893 -7.201 8.321 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.573 -6.572 9.954 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.249 -6.690 8.771 1.00 0.00 H new ATOM 467 N GLY A 33 2.439 -11.280 6.001 1.00 0.00 N ATOM 468 CA GLY A 33 3.046 -10.001 5.682 1.00 0.00 C ATOM 469 C GLY A 33 2.124 -8.833 5.972 1.00 0.00 C ATOM 470 O GLY A 33 1.366 -8.858 6.941 1.00 0.00 O ATOM 0 HA2 GLY A 33 3.965 -9.885 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.324 -9.987 4.628 1.00 0.00 H new ATOM 474 N VAL A 34 2.190 -7.806 5.131 1.00 0.00 N ATOM 475 CA VAL A 34 1.355 -6.623 5.302 1.00 0.00 C ATOM 476 C VAL A 34 0.696 -6.221 3.988 1.00 0.00 C ATOM 477 O VAL A 34 1.013 -6.765 2.930 1.00 0.00 O ATOM 478 CB VAL A 34 2.172 -5.433 5.839 1.00 0.00 C ATOM 479 CG1 VAL A 34 2.445 -5.599 7.326 1.00 0.00 C ATOM 480 CG2 VAL A 34 3.472 -5.286 5.064 1.00 0.00 C ATOM 0 H VAL A 34 2.813 -7.769 4.324 1.00 0.00 H new ATOM 0 HA VAL A 34 0.584 -6.882 6.027 1.00 0.00 H new ATOM 0 HB VAL A 34 1.588 -4.523 5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.023 -4.748 7.687 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.500 -5.650 7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.008 -6.517 7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.036 -4.440 5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.063 -6.196 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.250 -5.116 4.010 1.00 0.00 H new ATOM 490 N TYR A 35 -0.223 -5.265 4.062 1.00 0.00 N ATOM 491 CA TYR A 35 -0.930 -4.791 2.878 1.00 0.00 C ATOM 492 C TYR A 35 -1.475 -3.383 3.096 1.00 0.00 C ATOM 493 O TYR A 35 -1.837 -3.012 4.212 1.00 0.00 O ATOM 494 CB TYR A 35 -2.073 -5.743 2.525 1.00 0.00 C ATOM 495 CG TYR A 35 -3.173 -5.779 3.562 1.00 0.00 C ATOM 496 CD1 TYR A 35 -3.964 -4.663 3.804 1.00 0.00 C ATOM 497 CD2 TYR A 35 -3.423 -6.930 4.299 1.00 0.00 C ATOM 498 CE1 TYR A 35 -4.969 -4.691 4.750 1.00 0.00 C ATOM 499 CE2 TYR A 35 -4.427 -6.968 5.247 1.00 0.00 C ATOM 500 CZ TYR A 35 -5.197 -5.845 5.469 1.00 0.00 C ATOM 501 OH TYR A 35 -6.199 -5.878 6.412 1.00 0.00 O ATOM 0 H TYR A 35 -0.496 -4.803 4.929 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.221 -4.763 2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -2.499 -5.447 1.566 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.671 -6.748 2.398 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.790 -3.757 3.242 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.822 -7.811 4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.573 -3.813 4.926 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.608 -7.871 5.811 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.761 -6.668 6.265 1.00 0.00 H new ATOM 511 N MET A 36 -1.531 -2.604 2.021 1.00 0.00 N ATOM 512 CA MET A 36 -2.033 -1.237 2.094 1.00 0.00 C ATOM 513 C MET A 36 -3.491 -1.216 2.544 1.00 0.00 C ATOM 514 O MET A 36 -4.314 -1.989 2.053 1.00 0.00 O ATOM 515 CB MET A 36 -1.897 -0.548 0.735 1.00 0.00 C ATOM 516 CG MET A 36 -0.503 -0.651 0.138 1.00 0.00 C ATOM 517 SD MET A 36 0.737 0.221 1.114 1.00 0.00 S ATOM 518 CE MET A 36 2.156 0.122 0.026 1.00 0.00 C ATOM 0 H MET A 36 -1.235 -2.896 1.089 1.00 0.00 H new ATOM 0 HA MET A 36 -1.437 -0.696 2.829 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.614 -0.987 0.041 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.160 0.504 0.842 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.223 -1.701 0.057 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.514 -0.246 -0.874 1.00 0.00 H new ATOM 0 HE1 MET A 36 2.988 -0.344 0.554 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.902 -0.476 -0.850 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.443 1.125 -0.290 1.00 0.00 H new ATOM 528 N THR A 37 -3.804 -0.327 3.481 1.00 0.00 N ATOM 529 CA THR A 37 -5.161 -0.208 3.998 1.00 0.00 C ATOM 530 C THR A 37 -5.702 1.204 3.802 1.00 0.00 C ATOM 531 O THR A 37 -6.867 1.389 3.450 1.00 0.00 O ATOM 532 CB THR A 37 -5.226 -0.567 5.495 1.00 0.00 C ATOM 533 OG1 THR A 37 -6.582 -0.518 5.952 1.00 0.00 O ATOM 534 CG2 THR A 37 -4.374 0.388 6.318 1.00 0.00 C ATOM 0 H THR A 37 -3.136 0.321 3.897 1.00 0.00 H new ATOM 0 HA THR A 37 -5.776 -0.911 3.436 1.00 0.00 H new ATOM 0 HB THR A 37 -4.837 -1.577 5.621 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.619 -0.062 6.819 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.436 0.115 7.371 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.337 0.327 5.987 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.738 1.407 6.185 1.00 0.00 H new ATOM 542 N ASP A 38 -4.849 2.196 4.031 1.00 0.00 N ATOM 543 CA ASP A 38 -5.241 3.593 3.878 1.00 0.00 C ATOM 544 C ASP A 38 -4.442 4.262 2.764 1.00 0.00 C ATOM 545 O ASP A 38 -3.221 4.392 2.854 1.00 0.00 O ATOM 546 CB ASP A 38 -5.039 4.348 5.192 1.00 0.00 C ATOM 547 CG ASP A 38 -5.801 5.659 5.229 1.00 0.00 C ATOM 548 OD1 ASP A 38 -5.583 6.498 4.330 1.00 0.00 O ATOM 549 OD2 ASP A 38 -6.616 5.845 6.156 1.00 0.00 O ATOM 0 H ASP A 38 -3.881 2.059 4.323 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.297 3.622 3.611 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.362 3.720 6.022 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.976 4.544 5.335 1.00 0.00 H new ATOM 554 N ILE A 39 -5.139 4.684 1.714 1.00 0.00 N ATOM 555 CA ILE A 39 -4.494 5.340 0.583 1.00 0.00 C ATOM 556 C ILE A 39 -4.882 6.813 0.508 1.00 0.00 C ATOM 557 O ILE A 39 -5.958 7.160 0.021 1.00 0.00 O ATOM 558 CB ILE A 39 -4.860 4.656 -0.747 1.00 0.00 C ATOM 559 CG1 ILE A 39 -4.517 3.166 -0.691 1.00 0.00 C ATOM 560 CG2 ILE A 39 -4.138 5.328 -1.905 1.00 0.00 C ATOM 561 CD1 ILE A 39 -3.035 2.892 -0.566 1.00 0.00 C ATOM 0 H ILE A 39 -6.150 4.583 1.623 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.419 5.258 0.741 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.934 4.757 -0.906 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.035 2.714 0.155 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.893 2.681 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.407 4.833 -2.838 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.428 6.378 -1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.061 5.256 -1.753 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.866 1.816 -0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.513 3.314 -1.425 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.657 3.348 0.349 1.00 0.00 H new ATOM 573 N THR A 40 -3.995 7.677 0.993 1.00 0.00 N ATOM 574 CA THR A 40 -4.243 9.113 0.980 1.00 0.00 C ATOM 575 C THR A 40 -4.794 9.564 -0.368 1.00 0.00 C ATOM 576 O THR A 40 -4.213 9.304 -1.422 1.00 0.00 O ATOM 577 CB THR A 40 -2.960 9.908 1.289 1.00 0.00 C ATOM 578 OG1 THR A 40 -2.581 9.712 2.656 1.00 0.00 O ATOM 579 CG2 THR A 40 -3.164 11.391 1.021 1.00 0.00 C ATOM 0 H THR A 40 -3.099 7.407 1.399 1.00 0.00 H new ATOM 0 HA THR A 40 -4.981 9.313 1.757 1.00 0.00 H new ATOM 0 HB THR A 40 -2.167 9.544 0.636 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.764 10.219 2.845 1.00 0.00 H new ATOM 0 HG21 THR A 40 -2.245 11.931 1.246 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.424 11.539 -0.027 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.970 11.767 1.651 1.00 0.00 H new ATOM 587 N PRO A 41 -5.941 10.259 -0.337 1.00 0.00 N ATOM 588 CA PRO A 41 -6.595 10.762 -1.548 1.00 0.00 C ATOM 589 C PRO A 41 -5.812 11.896 -2.201 1.00 0.00 C ATOM 590 O PRO A 41 -5.330 12.801 -1.520 1.00 0.00 O ATOM 591 CB PRO A 41 -7.946 11.270 -1.038 1.00 0.00 C ATOM 592 CG PRO A 41 -7.711 11.596 0.396 1.00 0.00 C ATOM 593 CD PRO A 41 -6.688 10.606 0.884 1.00 0.00 C ATOM 0 HA PRO A 41 -6.676 9.993 -2.316 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.275 12.148 -1.595 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.722 10.512 -1.150 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.350 12.618 0.510 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -8.634 11.518 0.970 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.038 11.041 1.643 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.158 9.730 1.331 1.00 0.00 H new ATOM 601 N GLN A 42 -5.690 11.841 -3.523 1.00 0.00 N ATOM 602 CA GLN A 42 -4.965 12.864 -4.267 1.00 0.00 C ATOM 603 C GLN A 42 -3.521 12.967 -3.785 1.00 0.00 C ATOM 604 O GLN A 42 -3.036 14.054 -3.474 1.00 0.00 O ATOM 605 CB GLN A 42 -5.661 14.219 -4.122 1.00 0.00 C ATOM 606 CG GLN A 42 -5.363 15.180 -5.262 1.00 0.00 C ATOM 607 CD GLN A 42 -6.185 16.452 -5.182 1.00 0.00 C ATOM 608 OE1 GLN A 42 -7.342 16.485 -5.603 1.00 0.00 O ATOM 609 NE2 GLN A 42 -5.590 17.508 -4.640 1.00 0.00 N ATOM 0 H GLN A 42 -6.084 11.099 -4.101 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.958 12.577 -5.319 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.738 14.061 -4.063 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.354 14.677 -3.182 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.303 15.435 -5.250 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.560 14.683 -6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.630 17.436 -4.304 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.093 18.391 -4.559 1.00 0.00 H new ATOM 618 N GLY A 43 -2.839 11.827 -3.725 1.00 0.00 N ATOM 619 CA GLY A 43 -1.458 11.811 -3.280 1.00 0.00 C ATOM 620 C GLY A 43 -0.562 11.008 -4.201 1.00 0.00 C ATOM 621 O GLY A 43 -0.912 10.752 -5.353 1.00 0.00 O ATOM 0 H GLY A 43 -3.219 10.914 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.087 12.834 -3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.408 11.393 -2.274 1.00 0.00 H new ATOM 625 N VAL A 44 0.600 10.609 -3.693 1.00 0.00 N ATOM 626 CA VAL A 44 1.551 9.830 -4.477 1.00 0.00 C ATOM 627 C VAL A 44 1.001 8.443 -4.788 1.00 0.00 C ATOM 628 O VAL A 44 1.138 7.945 -5.906 1.00 0.00 O ATOM 629 CB VAL A 44 2.897 9.684 -3.744 1.00 0.00 C ATOM 630 CG1 VAL A 44 3.865 8.846 -4.566 1.00 0.00 C ATOM 631 CG2 VAL A 44 3.489 11.052 -3.440 1.00 0.00 C ATOM 0 H VAL A 44 0.905 10.813 -2.741 1.00 0.00 H new ATOM 0 HA VAL A 44 1.711 10.372 -5.409 1.00 0.00 H new ATOM 0 HB VAL A 44 2.722 9.171 -2.798 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.811 8.754 -4.032 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.441 7.855 -4.728 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.037 9.328 -5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.440 10.930 -2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.650 11.594 -4.372 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.801 11.614 -2.808 1.00 0.00 H new ATOM 641 N ALA A 45 0.376 7.823 -3.792 1.00 0.00 N ATOM 642 CA ALA A 45 -0.197 6.494 -3.960 1.00 0.00 C ATOM 643 C ALA A 45 -1.391 6.527 -4.908 1.00 0.00 C ATOM 644 O ALA A 45 -1.361 5.921 -5.979 1.00 0.00 O ATOM 645 CB ALA A 45 -0.608 5.922 -2.611 1.00 0.00 C ATOM 0 H ALA A 45 0.254 8.220 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 45 0.565 5.850 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.035 4.929 -2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.266 5.853 -1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.350 6.574 -2.150 1.00 0.00 H new ATOM 651 N MET A 46 -2.440 7.236 -4.507 1.00 0.00 N ATOM 652 CA MET A 46 -3.644 7.348 -5.322 1.00 0.00 C ATOM 653 C MET A 46 -3.295 7.731 -6.757 1.00 0.00 C ATOM 654 O MET A 46 -4.074 7.492 -7.680 1.00 0.00 O ATOM 655 CB MET A 46 -4.598 8.383 -4.723 1.00 0.00 C ATOM 656 CG MET A 46 -6.011 8.299 -5.276 1.00 0.00 C ATOM 657 SD MET A 46 -6.719 6.648 -5.128 1.00 0.00 S ATOM 658 CE MET A 46 -7.485 6.752 -3.512 1.00 0.00 C ATOM 0 H MET A 46 -2.481 7.742 -3.622 1.00 0.00 H new ATOM 0 HA MET A 46 -4.136 6.376 -5.333 1.00 0.00 H new ATOM 0 HB2 MET A 46 -4.631 8.251 -3.642 1.00 0.00 H new ATOM 0 HB3 MET A 46 -4.202 9.381 -4.910 1.00 0.00 H new ATOM 0 HG2 MET A 46 -6.646 9.011 -4.749 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.004 8.594 -6.325 1.00 0.00 H new ATOM 0 HE1 MET A 46 -7.967 5.803 -3.276 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.724 6.969 -2.762 1.00 0.00 H new ATOM 0 HE3 MET A 46 -8.230 7.547 -3.513 1.00 0.00 H new ATOM 668 N ARG A 47 -2.121 8.328 -6.936 1.00 0.00 N ATOM 669 CA ARG A 47 -1.671 8.745 -8.259 1.00 0.00 C ATOM 670 C ARG A 47 -0.926 7.615 -8.962 1.00 0.00 C ATOM 671 O ARG A 47 -0.993 7.479 -10.183 1.00 0.00 O ATOM 672 CB ARG A 47 -0.767 9.975 -8.148 1.00 0.00 C ATOM 673 CG ARG A 47 -1.531 11.280 -7.999 1.00 0.00 C ATOM 674 CD ARG A 47 -2.362 11.585 -9.235 1.00 0.00 C ATOM 675 NE ARG A 47 -2.519 13.021 -9.449 1.00 0.00 N ATOM 676 CZ ARG A 47 -3.258 13.542 -10.422 1.00 0.00 C ATOM 677 NH1 ARG A 47 -3.905 12.749 -11.266 1.00 0.00 N ATOM 678 NH2 ARG A 47 -3.352 14.859 -10.552 1.00 0.00 N ATOM 0 H ARG A 47 -1.465 8.534 -6.183 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.550 9.000 -8.851 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.104 9.852 -7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.135 10.033 -9.035 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.182 11.224 -7.127 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.829 12.095 -7.821 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.889 11.138 -10.109 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.345 11.124 -9.134 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.035 13.659 -8.817 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.836 11.736 -11.169 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.472 13.152 -12.012 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.857 15.472 -9.905 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.920 15.258 -11.299 1.00 0.00 H new ATOM 692 N ALA A 48 -0.216 6.806 -8.182 1.00 0.00 N ATOM 693 CA ALA A 48 0.540 5.686 -8.729 1.00 0.00 C ATOM 694 C ALA A 48 -0.391 4.591 -9.237 1.00 0.00 C ATOM 695 O ALA A 48 -0.009 3.777 -10.076 1.00 0.00 O ATOM 696 CB ALA A 48 1.491 5.129 -7.680 1.00 0.00 C ATOM 0 H ALA A 48 -0.149 6.906 -7.169 1.00 0.00 H new ATOM 0 HA ALA A 48 1.123 6.051 -9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.049 4.293 -8.102 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.186 5.909 -7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.920 4.785 -6.817 1.00 0.00 H new ATOM 702 N GLY A 49 -1.617 4.576 -8.721 1.00 0.00 N ATOM 703 CA GLY A 49 -2.583 3.575 -9.134 1.00 0.00 C ATOM 704 C GLY A 49 -2.748 2.470 -8.108 1.00 0.00 C ATOM 705 O GLY A 49 -3.073 1.335 -8.455 1.00 0.00 O ATOM 0 H GLY A 49 -1.958 5.239 -8.025 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.547 4.054 -9.306 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.269 3.141 -10.083 1.00 0.00 H new ATOM 709 N VAL A 50 -2.522 2.803 -6.841 1.00 0.00 N ATOM 710 CA VAL A 50 -2.647 1.831 -5.762 1.00 0.00 C ATOM 711 C VAL A 50 -3.912 2.075 -4.946 1.00 0.00 C ATOM 712 O VAL A 50 -4.259 3.218 -4.646 1.00 0.00 O ATOM 713 CB VAL A 50 -1.427 1.874 -4.823 1.00 0.00 C ATOM 714 CG1 VAL A 50 -1.318 3.235 -4.152 1.00 0.00 C ATOM 715 CG2 VAL A 50 -1.513 0.765 -3.786 1.00 0.00 C ATOM 0 H VAL A 50 -2.251 3.738 -6.537 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.703 0.847 -6.228 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.527 1.715 -5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.450 3.247 -3.492 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.206 4.008 -4.913 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.219 3.427 -3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.643 0.811 -3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.420 0.890 -3.194 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.538 -0.202 -4.289 1.00 0.00 H new ATOM 725 N LEU A 51 -4.596 0.994 -4.588 1.00 0.00 N ATOM 726 CA LEU A 51 -5.823 1.090 -3.805 1.00 0.00 C ATOM 727 C LEU A 51 -5.634 0.482 -2.419 1.00 0.00 C ATOM 728 O LEU A 51 -4.616 -0.152 -2.143 1.00 0.00 O ATOM 729 CB LEU A 51 -6.971 0.386 -4.531 1.00 0.00 C ATOM 730 CG LEU A 51 -6.755 -1.093 -4.852 1.00 0.00 C ATOM 731 CD1 LEU A 51 -8.082 -1.837 -4.858 1.00 0.00 C ATOM 732 CD2 LEU A 51 -6.047 -1.251 -6.189 1.00 0.00 C ATOM 0 H LEU A 51 -4.322 0.041 -4.827 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.068 2.146 -3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.870 0.477 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.163 0.915 -5.464 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.123 -1.525 -4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.909 -2.888 -5.088 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.551 -1.753 -3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.739 -1.404 -5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.902 -2.310 -6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.653 -0.803 -6.977 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.078 -0.753 -6.149 1.00 0.00 H new ATOM 744 N ALA A 52 -6.622 0.678 -1.553 1.00 0.00 N ATOM 745 CA ALA A 52 -6.566 0.146 -0.197 1.00 0.00 C ATOM 746 C ALA A 52 -6.828 -1.356 -0.186 1.00 0.00 C ATOM 747 O ALA A 52 -7.304 -1.920 -1.172 1.00 0.00 O ATOM 748 CB ALA A 52 -7.568 0.865 0.694 1.00 0.00 C ATOM 0 H ALA A 52 -7.471 1.201 -1.766 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.562 0.316 0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.515 0.457 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.334 1.929 0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.574 0.724 0.298 1.00 0.00 H new ATOM 754 N ASP A 53 -6.515 -1.999 0.934 1.00 0.00 N ATOM 755 CA ASP A 53 -6.717 -3.436 1.073 1.00 0.00 C ATOM 756 C ASP A 53 -6.077 -4.190 -0.089 1.00 0.00 C ATOM 757 O ASP A 53 -6.718 -5.025 -0.728 1.00 0.00 O ATOM 758 CB ASP A 53 -8.210 -3.758 1.146 1.00 0.00 C ATOM 759 CG ASP A 53 -8.882 -3.121 2.346 1.00 0.00 C ATOM 760 OD1 ASP A 53 -8.238 -3.039 3.413 1.00 0.00 O ATOM 761 OD2 ASP A 53 -10.052 -2.704 2.219 1.00 0.00 O ATOM 0 H ASP A 53 -6.120 -1.547 1.759 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.239 -3.757 1.998 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.698 -3.413 0.234 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.344 -4.839 1.190 1.00 0.00 H new ATOM 766 N ASP A 54 -4.812 -3.889 -0.357 1.00 0.00 N ATOM 767 CA ASP A 54 -4.085 -4.538 -1.442 1.00 0.00 C ATOM 768 C ASP A 54 -2.940 -5.386 -0.899 1.00 0.00 C ATOM 769 O ASP A 54 -1.921 -4.858 -0.450 1.00 0.00 O ATOM 770 CB ASP A 54 -3.543 -3.493 -2.419 1.00 0.00 C ATOM 771 CG ASP A 54 -4.533 -3.158 -3.517 1.00 0.00 C ATOM 772 OD1 ASP A 54 -5.702 -3.585 -3.412 1.00 0.00 O ATOM 773 OD2 ASP A 54 -4.140 -2.470 -4.482 1.00 0.00 O ATOM 0 H ASP A 54 -4.268 -3.200 0.162 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.779 -5.192 -1.970 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.291 -2.585 -1.872 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.620 -3.862 -2.866 1.00 0.00 H new ATOM 778 N HIS A 55 -3.113 -6.703 -0.940 1.00 0.00 N ATOM 779 CA HIS A 55 -2.094 -7.625 -0.451 1.00 0.00 C ATOM 780 C HIS A 55 -0.731 -7.295 -1.052 1.00 0.00 C ATOM 781 O HIS A 55 -0.441 -7.652 -2.194 1.00 0.00 O ATOM 782 CB HIS A 55 -2.477 -9.066 -0.786 1.00 0.00 C ATOM 783 CG HIS A 55 -1.890 -10.075 0.152 1.00 0.00 C ATOM 784 ND1 HIS A 55 -2.396 -11.350 0.300 1.00 0.00 N ATOM 785 CD2 HIS A 55 -0.832 -9.993 0.992 1.00 0.00 C ATOM 786 CE1 HIS A 55 -1.675 -12.006 1.191 1.00 0.00 C ATOM 787 NE2 HIS A 55 -0.720 -11.205 1.627 1.00 0.00 N ATOM 0 H HIS A 55 -3.950 -7.156 -1.307 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.030 -7.517 0.632 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.563 -9.157 -0.772 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.151 -9.293 -1.801 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.194 -9.133 1.136 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.839 -13.025 1.509 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -0.014 -11.447 2.322 1.00 0.00 H new ATOM 796 N LEU A 56 0.103 -6.612 -0.275 1.00 0.00 N ATOM 797 CA LEU A 56 1.436 -6.234 -0.730 1.00 0.00 C ATOM 798 C LEU A 56 2.225 -7.458 -1.182 1.00 0.00 C ATOM 799 O LEU A 56 2.295 -8.461 -0.471 1.00 0.00 O ATOM 800 CB LEU A 56 2.191 -5.509 0.386 1.00 0.00 C ATOM 801 CG LEU A 56 3.178 -4.430 -0.062 1.00 0.00 C ATOM 802 CD1 LEU A 56 2.493 -3.074 -0.122 1.00 0.00 C ATOM 803 CD2 LEU A 56 4.377 -4.383 0.873 1.00 0.00 C ATOM 0 H LEU A 56 -0.121 -6.309 0.673 1.00 0.00 H new ATOM 0 HA LEU A 56 1.325 -5.562 -1.581 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.461 -5.051 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.735 -6.251 0.970 1.00 0.00 H new ATOM 0 HG LEU A 56 3.532 -4.680 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.210 -2.318 -0.442 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.667 -3.115 -0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.110 -2.816 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.069 -3.610 0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.041 -4.157 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.882 -5.349 0.866 1.00 0.00 H new ATOM 815 N ILE A 57 2.820 -7.368 -2.367 1.00 0.00 N ATOM 816 CA ILE A 57 3.607 -8.468 -2.911 1.00 0.00 C ATOM 817 C ILE A 57 5.093 -8.272 -2.631 1.00 0.00 C ATOM 818 O ILE A 57 5.760 -9.167 -2.115 1.00 0.00 O ATOM 819 CB ILE A 57 3.397 -8.612 -4.430 1.00 0.00 C ATOM 820 CG1 ILE A 57 1.906 -8.732 -4.752 1.00 0.00 C ATOM 821 CG2 ILE A 57 4.157 -9.819 -4.958 1.00 0.00 C ATOM 822 CD1 ILE A 57 1.294 -10.040 -4.301 1.00 0.00 C ATOM 0 H ILE A 57 2.772 -6.545 -2.968 1.00 0.00 H new ATOM 0 HA ILE A 57 3.264 -9.377 -2.417 1.00 0.00 H new ATOM 0 HB ILE A 57 3.785 -7.720 -4.921 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.373 -7.908 -4.278 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.765 -8.626 -5.828 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.998 -9.907 -6.033 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.221 -9.695 -4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.797 -10.721 -4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.236 -10.056 -4.562 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.802 -10.869 -4.795 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.403 -10.139 -3.221 1.00 0.00 H new ATOM 834 N GLU A 58 5.604 -7.093 -2.974 1.00 0.00 N ATOM 835 CA GLU A 58 7.011 -6.779 -2.757 1.00 0.00 C ATOM 836 C GLU A 58 7.229 -5.270 -2.693 1.00 0.00 C ATOM 837 O GLU A 58 6.331 -4.488 -3.007 1.00 0.00 O ATOM 838 CB GLU A 58 7.868 -7.382 -3.873 1.00 0.00 C ATOM 839 CG GLU A 58 7.391 -7.021 -5.269 1.00 0.00 C ATOM 840 CD GLU A 58 8.135 -7.776 -6.354 1.00 0.00 C ATOM 841 OE1 GLU A 58 7.752 -8.929 -6.645 1.00 0.00 O ATOM 842 OE2 GLU A 58 9.101 -7.214 -6.911 1.00 0.00 O ATOM 0 H GLU A 58 5.065 -6.341 -3.403 1.00 0.00 H new ATOM 0 HA GLU A 58 7.311 -7.212 -1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.897 -7.045 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.874 -8.467 -3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.325 -7.232 -5.350 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.516 -5.950 -5.426 1.00 0.00 H new ATOM 849 N VAL A 59 8.427 -4.868 -2.282 1.00 0.00 N ATOM 850 CA VAL A 59 8.764 -3.453 -2.176 1.00 0.00 C ATOM 851 C VAL A 59 10.168 -3.182 -2.704 1.00 0.00 C ATOM 852 O VAL A 59 11.160 -3.578 -2.092 1.00 0.00 O ATOM 853 CB VAL A 59 8.671 -2.962 -0.719 1.00 0.00 C ATOM 854 CG1 VAL A 59 8.966 -1.472 -0.639 1.00 0.00 C ATOM 855 CG2 VAL A 59 7.300 -3.274 -0.139 1.00 0.00 C ATOM 0 H VAL A 59 9.181 -5.502 -2.017 1.00 0.00 H new ATOM 0 HA VAL A 59 8.040 -2.908 -2.782 1.00 0.00 H new ATOM 0 HB VAL A 59 9.419 -3.489 -0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.896 -1.142 0.398 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.971 -1.279 -1.014 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.243 -0.925 -1.244 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.252 -2.920 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.533 -2.775 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.132 -4.351 -0.161 1.00 0.00 H new ATOM 865 N ASN A 60 10.245 -2.504 -3.844 1.00 0.00 N ATOM 866 CA ASN A 60 11.529 -2.179 -4.455 1.00 0.00 C ATOM 867 C ASN A 60 12.187 -3.427 -5.035 1.00 0.00 C ATOM 868 O ASN A 60 13.412 -3.525 -5.094 1.00 0.00 O ATOM 869 CB ASN A 60 12.457 -1.530 -3.427 1.00 0.00 C ATOM 870 CG ASN A 60 13.443 -0.569 -4.063 1.00 0.00 C ATOM 871 OD1 ASN A 60 14.396 -0.985 -4.721 1.00 0.00 O ATOM 872 ND2 ASN A 60 13.217 0.725 -3.868 1.00 0.00 N ATOM 0 H ASN A 60 9.434 -2.169 -4.364 1.00 0.00 H new ATOM 0 HA ASN A 60 11.349 -1.475 -5.267 1.00 0.00 H new ATOM 0 HB2 ASN A 60 11.859 -0.997 -2.688 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.004 -2.307 -2.894 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.846 1.419 -4.271 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.414 1.025 -3.315 1.00 0.00 H new ATOM 879 N GLY A 61 11.364 -4.380 -5.462 1.00 0.00 N ATOM 880 CA GLY A 61 11.884 -5.609 -6.032 1.00 0.00 C ATOM 881 C GLY A 61 12.299 -6.609 -4.971 1.00 0.00 C ATOM 882 O GLY A 61 13.339 -7.255 -5.092 1.00 0.00 O ATOM 0 H GLY A 61 10.346 -4.323 -5.423 1.00 0.00 H new ATOM 0 HA2 GLY A 61 11.126 -6.058 -6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.741 -5.378 -6.665 1.00 0.00 H new ATOM 886 N GLU A 62 11.484 -6.737 -3.928 1.00 0.00 N ATOM 887 CA GLU A 62 11.775 -7.664 -2.841 1.00 0.00 C ATOM 888 C GLU A 62 10.493 -8.302 -2.313 1.00 0.00 C ATOM 889 O GLU A 62 9.625 -7.619 -1.770 1.00 0.00 O ATOM 890 CB GLU A 62 12.503 -6.942 -1.706 1.00 0.00 C ATOM 891 CG GLU A 62 13.394 -7.852 -0.878 1.00 0.00 C ATOM 892 CD GLU A 62 14.396 -7.083 -0.039 1.00 0.00 C ATOM 893 OE1 GLU A 62 14.518 -5.856 -0.237 1.00 0.00 O ATOM 894 OE2 GLU A 62 15.057 -7.709 0.816 1.00 0.00 O ATOM 0 H GLU A 62 10.618 -6.211 -3.813 1.00 0.00 H new ATOM 0 HA GLU A 62 12.419 -8.452 -3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 62 13.109 -6.139 -2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.766 -6.476 -1.052 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.773 -8.465 -0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.928 -8.533 -1.541 1.00 0.00 H new ATOM 901 N ASN A 63 10.382 -9.616 -2.477 1.00 0.00 N ATOM 902 CA ASN A 63 9.207 -10.347 -2.017 1.00 0.00 C ATOM 903 C ASN A 63 9.009 -10.171 -0.515 1.00 0.00 C ATOM 904 O ASN A 63 9.777 -10.699 0.289 1.00 0.00 O ATOM 905 CB ASN A 63 9.341 -11.833 -2.354 1.00 0.00 C ATOM 906 CG ASN A 63 8.827 -12.160 -3.744 1.00 0.00 C ATOM 907 OD1 ASN A 63 9.603 -12.474 -4.646 1.00 0.00 O ATOM 908 ND2 ASN A 63 7.513 -12.086 -3.921 1.00 0.00 N ATOM 0 H ASN A 63 11.091 -10.196 -2.925 1.00 0.00 H new ATOM 0 HA ASN A 63 8.335 -9.942 -2.530 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.388 -12.127 -2.278 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.791 -12.420 -1.619 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.109 -12.294 -4.834 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.908 -11.821 -3.144 1.00 0.00 H new ATOM 915 N VAL A 64 7.973 -9.425 -0.143 1.00 0.00 N ATOM 916 CA VAL A 64 7.673 -9.180 1.262 1.00 0.00 C ATOM 917 C VAL A 64 6.300 -9.728 1.634 1.00 0.00 C ATOM 918 O VAL A 64 5.710 -9.324 2.636 1.00 0.00 O ATOM 919 CB VAL A 64 7.720 -7.676 1.592 1.00 0.00 C ATOM 920 CG1 VAL A 64 9.081 -7.095 1.242 1.00 0.00 C ATOM 921 CG2 VAL A 64 6.610 -6.936 0.861 1.00 0.00 C ATOM 0 H VAL A 64 7.328 -8.980 -0.796 1.00 0.00 H new ATOM 0 HA VAL A 64 8.437 -9.696 1.844 1.00 0.00 H new ATOM 0 HB VAL A 64 7.564 -7.551 2.664 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.095 -6.032 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.854 -7.607 1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 64 9.271 -7.229 0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.658 -5.875 1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.732 -7.067 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.643 -7.336 1.167 1.00 0.00 H new ATOM 931 N GLU A 65 5.796 -10.650 0.820 1.00 0.00 N ATOM 932 CA GLU A 65 4.491 -11.254 1.064 1.00 0.00 C ATOM 933 C GLU A 65 4.381 -11.746 2.504 1.00 0.00 C ATOM 934 O GLU A 65 3.337 -11.605 3.142 1.00 0.00 O ATOM 935 CB GLU A 65 4.252 -12.415 0.097 1.00 0.00 C ATOM 936 CG GLU A 65 3.844 -11.970 -1.298 1.00 0.00 C ATOM 937 CD GLU A 65 3.480 -13.135 -2.198 1.00 0.00 C ATOM 938 OE1 GLU A 65 4.396 -13.882 -2.603 1.00 0.00 O ATOM 939 OE2 GLU A 65 2.279 -13.300 -2.497 1.00 0.00 O ATOM 0 H GLU A 65 6.271 -10.995 -0.014 1.00 0.00 H new ATOM 0 HA GLU A 65 3.730 -10.492 0.899 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.161 -13.012 0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.476 -13.063 0.504 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.993 -11.292 -1.225 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.661 -11.408 -1.750 1.00 0.00 H new ATOM 946 N ASP A 66 5.464 -12.325 3.010 1.00 0.00 N ATOM 947 CA ASP A 66 5.490 -12.839 4.375 1.00 0.00 C ATOM 948 C ASP A 66 6.607 -12.183 5.181 1.00 0.00 C ATOM 949 O ASP A 66 7.306 -12.847 5.945 1.00 0.00 O ATOM 950 CB ASP A 66 5.674 -14.358 4.367 1.00 0.00 C ATOM 951 CG ASP A 66 6.669 -14.815 3.319 1.00 0.00 C ATOM 952 OD1 ASP A 66 7.774 -14.236 3.257 1.00 0.00 O ATOM 953 OD2 ASP A 66 6.344 -15.753 2.562 1.00 0.00 O ATOM 0 H ASP A 66 6.336 -12.450 2.496 1.00 0.00 H new ATOM 0 HA ASP A 66 4.537 -12.599 4.846 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.011 -14.685 5.351 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.712 -14.837 4.184 1.00 0.00 H new ATOM 958 N ALA A 67 6.769 -10.876 5.004 1.00 0.00 N ATOM 959 CA ALA A 67 7.799 -10.130 5.715 1.00 0.00 C ATOM 960 C ALA A 67 7.198 -9.309 6.851 1.00 0.00 C ATOM 961 O ALA A 67 6.158 -8.672 6.685 1.00 0.00 O ATOM 962 CB ALA A 67 8.557 -9.228 4.753 1.00 0.00 C ATOM 0 H ALA A 67 6.199 -10.312 4.374 1.00 0.00 H new ATOM 0 HA ALA A 67 8.496 -10.846 6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.323 -8.677 5.298 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.028 -9.835 3.980 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.864 -8.525 4.291 1.00 0.00 H new ATOM 968 N SER A 68 7.859 -9.329 8.004 1.00 0.00 N ATOM 969 CA SER A 68 7.386 -8.590 9.169 1.00 0.00 C ATOM 970 C SER A 68 7.344 -7.092 8.881 1.00 0.00 C ATOM 971 O SER A 68 8.201 -6.560 8.175 1.00 0.00 O ATOM 972 CB SER A 68 8.288 -8.864 10.373 1.00 0.00 C ATOM 973 OG SER A 68 8.399 -10.255 10.621 1.00 0.00 O ATOM 0 H SER A 68 8.723 -9.849 8.156 1.00 0.00 H new ATOM 0 HA SER A 68 6.375 -8.927 9.397 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.277 -8.443 10.193 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.885 -8.365 11.254 1.00 0.00 H new ATOM 0 HG SER A 68 8.982 -10.404 11.394 1.00 0.00 H new ATOM 979 N HIS A 69 6.341 -6.418 9.433 1.00 0.00 N ATOM 980 CA HIS A 69 6.186 -4.981 9.237 1.00 0.00 C ATOM 981 C HIS A 69 7.524 -4.264 9.392 1.00 0.00 C ATOM 982 O HIS A 69 7.837 -3.347 8.634 1.00 0.00 O ATOM 983 CB HIS A 69 5.173 -4.415 10.233 1.00 0.00 C ATOM 984 CG HIS A 69 4.543 -3.133 9.784 1.00 0.00 C ATOM 985 ND1 HIS A 69 3.275 -2.744 10.163 1.00 0.00 N ATOM 986 CD2 HIS A 69 5.014 -2.148 8.984 1.00 0.00 C ATOM 987 CE1 HIS A 69 2.993 -1.576 9.614 1.00 0.00 C ATOM 988 NE2 HIS A 69 4.032 -1.192 8.894 1.00 0.00 N ATOM 0 H HIS A 69 5.623 -6.843 10.020 1.00 0.00 H new ATOM 0 HA HIS A 69 5.820 -4.815 8.224 1.00 0.00 H new ATOM 0 HB2 HIS A 69 4.391 -5.155 10.403 1.00 0.00 H new ATOM 0 HB3 HIS A 69 5.669 -4.251 11.189 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.982 -2.119 8.506 1.00 0.00 H new ATOM 0 HE1 HIS A 69 2.070 -1.028 9.733 1.00 0.00 H new ATOM 0 HE2 HIS A 69 4.095 -0.326 8.358 1.00 0.00 H new ATOM 997 N GLU A 70 8.307 -4.689 10.378 1.00 0.00 N ATOM 998 CA GLU A 70 9.610 -4.086 10.632 1.00 0.00 C ATOM 999 C GLU A 70 10.560 -4.332 9.463 1.00 0.00 C ATOM 1000 O GLU A 70 11.395 -3.487 9.141 1.00 0.00 O ATOM 1001 CB GLU A 70 10.214 -4.647 11.921 1.00 0.00 C ATOM 1002 CG GLU A 70 9.777 -3.902 13.172 1.00 0.00 C ATOM 1003 CD GLU A 70 10.382 -2.515 13.266 1.00 0.00 C ATOM 1004 OE1 GLU A 70 11.626 -2.411 13.305 1.00 0.00 O ATOM 1005 OE2 GLU A 70 9.611 -1.533 13.301 1.00 0.00 O ATOM 0 H GLU A 70 8.062 -5.448 11.014 1.00 0.00 H new ATOM 0 HA GLU A 70 9.469 -3.011 10.744 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.935 -5.696 12.017 1.00 0.00 H new ATOM 0 HB3 GLU A 70 11.301 -4.612 11.848 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.690 -3.822 13.181 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.062 -4.479 14.052 1.00 0.00 H new ATOM 1012 N GLU A 71 10.427 -5.496 8.834 1.00 0.00 N ATOM 1013 CA GLU A 71 11.274 -5.854 7.703 1.00 0.00 C ATOM 1014 C GLU A 71 10.978 -4.965 6.499 1.00 0.00 C ATOM 1015 O GLU A 71 11.891 -4.498 5.818 1.00 0.00 O ATOM 1016 CB GLU A 71 11.070 -7.323 7.329 1.00 0.00 C ATOM 1017 CG GLU A 71 11.744 -8.294 8.284 1.00 0.00 C ATOM 1018 CD GLU A 71 13.253 -8.149 8.293 1.00 0.00 C ATOM 1019 OE1 GLU A 71 13.759 -7.245 8.990 1.00 0.00 O ATOM 1020 OE2 GLU A 71 13.929 -8.942 7.604 1.00 0.00 O ATOM 0 H GLU A 71 9.741 -6.206 9.089 1.00 0.00 H new ATOM 0 HA GLU A 71 12.312 -5.703 7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 71 10.002 -7.537 7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.455 -7.490 6.323 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.361 -8.132 9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.482 -9.314 8.004 1.00 0.00 H new ATOM 1027 N VAL A 72 9.694 -4.735 6.241 1.00 0.00 N ATOM 1028 CA VAL A 72 9.276 -3.903 5.120 1.00 0.00 C ATOM 1029 C VAL A 72 9.527 -2.427 5.408 1.00 0.00 C ATOM 1030 O VAL A 72 10.296 -1.769 4.708 1.00 0.00 O ATOM 1031 CB VAL A 72 7.783 -4.105 4.797 1.00 0.00 C ATOM 1032 CG1 VAL A 72 7.346 -3.165 3.683 1.00 0.00 C ATOM 1033 CG2 VAL A 72 7.511 -5.553 4.422 1.00 0.00 C ATOM 0 H VAL A 72 8.925 -5.114 6.794 1.00 0.00 H new ATOM 0 HA VAL A 72 9.871 -4.209 4.259 1.00 0.00 H new ATOM 0 HB VAL A 72 7.201 -3.869 5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.289 -3.322 3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.504 -2.133 3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.932 -3.366 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 72 6.452 -5.678 4.197 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.102 -5.819 3.546 1.00 0.00 H new ATOM 0 HG23 VAL A 72 7.784 -6.202 5.254 1.00 0.00 H new ATOM 1043 N VAL A 73 8.873 -1.912 6.445 1.00 0.00 N ATOM 1044 CA VAL A 73 9.026 -0.513 6.827 1.00 0.00 C ATOM 1045 C VAL A 73 10.473 -0.057 6.673 1.00 0.00 C ATOM 1046 O VAL A 73 10.737 1.072 6.261 1.00 0.00 O ATOM 1047 CB VAL A 73 8.577 -0.277 8.281 1.00 0.00 C ATOM 1048 CG1 VAL A 73 9.488 -1.017 9.249 1.00 0.00 C ATOM 1049 CG2 VAL A 73 8.550 1.211 8.595 1.00 0.00 C ATOM 0 H VAL A 73 8.232 -2.443 7.035 1.00 0.00 H new ATOM 0 HA VAL A 73 8.391 0.070 6.159 1.00 0.00 H new ATOM 0 HB VAL A 73 7.567 -0.669 8.398 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.155 -0.838 10.271 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.452 -2.086 9.038 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.511 -0.658 9.133 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.231 1.359 9.627 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.547 1.629 8.460 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.853 1.712 7.924 1.00 0.00 H new ATOM 1059 N GLU A 74 11.406 -0.943 7.007 1.00 0.00 N ATOM 1060 CA GLU A 74 12.826 -0.630 6.905 1.00 0.00 C ATOM 1061 C GLU A 74 13.280 -0.625 5.448 1.00 0.00 C ATOM 1062 O GLU A 74 14.025 0.257 5.021 1.00 0.00 O ATOM 1063 CB GLU A 74 13.652 -1.640 7.704 1.00 0.00 C ATOM 1064 CG GLU A 74 13.824 -1.265 9.167 1.00 0.00 C ATOM 1065 CD GLU A 74 14.477 -2.367 9.979 1.00 0.00 C ATOM 1066 OE1 GLU A 74 14.412 -3.538 9.549 1.00 0.00 O ATOM 1067 OE2 GLU A 74 15.052 -2.059 11.044 1.00 0.00 O ATOM 0 H GLU A 74 11.204 -1.882 7.350 1.00 0.00 H new ATOM 0 HA GLU A 74 12.982 0.366 7.319 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.174 -2.618 7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.636 -1.737 7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.428 -0.360 9.238 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.849 -1.032 9.595 1.00 0.00 H new ATOM 1074 N LYS A 75 12.825 -1.617 4.690 1.00 0.00 N ATOM 1075 CA LYS A 75 13.182 -1.728 3.281 1.00 0.00 C ATOM 1076 C LYS A 75 12.691 -0.515 2.497 1.00 0.00 C ATOM 1077 O LYS A 75 13.208 -0.206 1.424 1.00 0.00 O ATOM 1078 CB LYS A 75 12.590 -3.007 2.683 1.00 0.00 C ATOM 1079 CG LYS A 75 13.252 -4.277 3.190 1.00 0.00 C ATOM 1080 CD LYS A 75 12.353 -5.488 3.001 1.00 0.00 C ATOM 1081 CE LYS A 75 13.156 -6.779 2.973 1.00 0.00 C ATOM 1082 NZ LYS A 75 13.430 -7.291 4.344 1.00 0.00 N ATOM 0 H LYS A 75 12.208 -2.356 5.028 1.00 0.00 H new ATOM 0 HA LYS A 75 14.269 -1.769 3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.525 -3.046 2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.682 -2.967 1.598 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.192 -4.434 2.661 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.495 -4.165 4.247 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.623 -5.530 3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.794 -5.386 2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.611 -7.533 2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.099 -6.609 2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.354 -7.767 4.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.439 -6.497 5.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.688 -7.967 4.617 1.00 0.00 H new ATOM 1096 N VAL A 76 11.690 0.170 3.042 1.00 0.00 N ATOM 1097 CA VAL A 76 11.131 1.351 2.395 1.00 0.00 C ATOM 1098 C VAL A 76 12.025 2.568 2.606 1.00 0.00 C ATOM 1099 O VAL A 76 12.483 3.190 1.647 1.00 0.00 O ATOM 1100 CB VAL A 76 9.720 1.667 2.925 1.00 0.00 C ATOM 1101 CG1 VAL A 76 9.259 3.032 2.437 1.00 0.00 C ATOM 1102 CG2 VAL A 76 8.739 0.582 2.506 1.00 0.00 C ATOM 0 H VAL A 76 11.250 -0.073 3.930 1.00 0.00 H new ATOM 0 HA VAL A 76 11.069 1.129 1.330 1.00 0.00 H new ATOM 0 HB VAL A 76 9.757 1.691 4.014 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.260 3.238 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.949 3.797 2.792 1.00 0.00 H new ATOM 0 HG13 VAL A 76 9.237 3.040 1.347 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.747 0.821 2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.704 0.524 1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 76 9.063 -0.377 2.910 1.00 0.00 H new ATOM 1112 N LYS A 77 12.271 2.903 3.868 1.00 0.00 N ATOM 1113 CA LYS A 77 13.112 4.044 4.208 1.00 0.00 C ATOM 1114 C LYS A 77 14.532 3.848 3.687 1.00 0.00 C ATOM 1115 O LYS A 77 15.220 4.812 3.350 1.00 0.00 O ATOM 1116 CB LYS A 77 13.138 4.252 5.724 1.00 0.00 C ATOM 1117 CG LYS A 77 13.659 3.051 6.493 1.00 0.00 C ATOM 1118 CD LYS A 77 14.080 3.432 7.903 1.00 0.00 C ATOM 1119 CE LYS A 77 12.898 3.419 8.860 1.00 0.00 C ATOM 1120 NZ LYS A 77 13.337 3.406 10.283 1.00 0.00 N ATOM 0 H LYS A 77 11.899 2.399 4.673 1.00 0.00 H new ATOM 0 HA LYS A 77 12.688 4.929 3.733 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.760 5.117 5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 77 12.130 4.484 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 77 12.886 2.283 6.538 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.508 2.619 5.963 1.00 0.00 H new ATOM 0 HD2 LYS A 77 14.843 2.738 8.256 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.531 4.424 7.894 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.275 4.295 8.680 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.280 2.543 8.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.503 3.397 10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 13.910 2.557 10.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.905 4.255 10.479 1.00 0.00 H new ATOM 1134 N LYS A 78 14.965 2.594 3.621 1.00 0.00 N ATOM 1135 CA LYS A 78 16.302 2.270 3.138 1.00 0.00 C ATOM 1136 C LYS A 78 16.393 2.450 1.626 1.00 0.00 C ATOM 1137 O LYS A 78 17.368 3.000 1.114 1.00 0.00 O ATOM 1138 CB LYS A 78 16.669 0.832 3.514 1.00 0.00 C ATOM 1139 CG LYS A 78 17.096 0.672 4.963 1.00 0.00 C ATOM 1140 CD LYS A 78 18.026 -0.516 5.142 1.00 0.00 C ATOM 1141 CE LYS A 78 17.908 -1.111 6.537 1.00 0.00 C ATOM 1142 NZ LYS A 78 18.336 -0.147 7.589 1.00 0.00 N ATOM 0 H LYS A 78 14.409 1.784 3.896 1.00 0.00 H new ATOM 0 HA LYS A 78 17.007 2.954 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.812 0.186 3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 78 17.477 0.491 2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.596 1.581 5.298 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.214 0.543 5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 78 17.791 -1.278 4.399 1.00 0.00 H new ATOM 0 HD3 LYS A 78 19.055 -0.204 4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.876 -1.411 6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.518 -2.012 6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.322 -0.617 8.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 19.300 0.185 7.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.686 0.664 7.602 1.00 0.00 H new ATOM 1156 N SER A 79 15.370 1.983 0.917 1.00 0.00 N ATOM 1157 CA SER A 79 15.336 2.091 -0.537 1.00 0.00 C ATOM 1158 C SER A 79 16.009 3.379 -1.003 1.00 0.00 C ATOM 1159 O SER A 79 16.782 3.377 -1.960 1.00 0.00 O ATOM 1160 CB SER A 79 13.892 2.047 -1.039 1.00 0.00 C ATOM 1161 OG SER A 79 13.784 2.616 -2.333 1.00 0.00 O ATOM 0 H SER A 79 14.554 1.527 1.325 1.00 0.00 H new ATOM 0 HA SER A 79 15.884 1.245 -0.952 1.00 0.00 H new ATOM 0 HB2 SER A 79 13.543 1.015 -1.062 1.00 0.00 H new ATOM 0 HB3 SER A 79 13.246 2.586 -0.346 1.00 0.00 H new ATOM 0 HG SER A 79 13.175 3.383 -2.303 1.00 0.00 H new ATOM 1167 N GLY A 80 15.709 4.477 -0.317 1.00 0.00 N ATOM 1168 CA GLY A 80 16.293 5.757 -0.673 1.00 0.00 C ATOM 1169 C GLY A 80 15.257 6.860 -0.771 1.00 0.00 C ATOM 1170 O GLY A 80 14.815 7.397 0.245 1.00 0.00 O ATOM 0 H GLY A 80 15.072 4.503 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.041 6.031 0.071 1.00 0.00 H new ATOM 0 HA3 GLY A 80 16.811 5.664 -1.627 1.00 0.00 H new ATOM 1174 N SER A 81 14.870 7.200 -1.996 1.00 0.00 N ATOM 1175 CA SER A 81 13.884 8.250 -2.222 1.00 0.00 C ATOM 1176 C SER A 81 12.634 7.686 -2.891 1.00 0.00 C ATOM 1177 O SER A 81 11.510 8.006 -2.501 1.00 0.00 O ATOM 1178 CB SER A 81 14.481 9.362 -3.087 1.00 0.00 C ATOM 1179 OG SER A 81 15.430 10.121 -2.358 1.00 0.00 O ATOM 0 H SER A 81 15.224 6.764 -2.847 1.00 0.00 H new ATOM 0 HA SER A 81 13.602 8.664 -1.254 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.956 8.927 -3.966 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.685 10.016 -3.445 1.00 0.00 H new ATOM 0 HG SER A 81 15.798 10.824 -2.933 1.00 0.00 H new ATOM 1185 N ARG A 82 12.838 6.845 -3.899 1.00 0.00 N ATOM 1186 CA ARG A 82 11.729 6.237 -4.624 1.00 0.00 C ATOM 1187 C ARG A 82 11.619 4.749 -4.302 1.00 0.00 C ATOM 1188 O ARG A 82 12.599 4.114 -3.911 1.00 0.00 O ATOM 1189 CB ARG A 82 11.907 6.432 -6.130 1.00 0.00 C ATOM 1190 CG ARG A 82 12.197 7.870 -6.528 1.00 0.00 C ATOM 1191 CD ARG A 82 12.699 7.962 -7.961 1.00 0.00 C ATOM 1192 NE ARG A 82 12.349 9.236 -8.583 1.00 0.00 N ATOM 1193 CZ ARG A 82 12.327 9.430 -9.897 1.00 0.00 C ATOM 1194 NH1 ARG A 82 12.633 8.439 -10.722 1.00 0.00 N ATOM 1195 NH2 ARG A 82 11.998 10.619 -10.387 1.00 0.00 N ATOM 0 H ARG A 82 13.762 6.569 -4.232 1.00 0.00 H new ATOM 0 HA ARG A 82 10.809 6.729 -4.308 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.722 5.797 -6.476 1.00 0.00 H new ATOM 0 HB3 ARG A 82 11.004 6.098 -6.640 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.292 8.468 -6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 82 12.941 8.292 -5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 82 13.782 7.837 -7.974 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.277 7.145 -8.546 1.00 0.00 H new ATOM 0 HE ARG A 82 12.108 10.019 -7.976 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.886 7.524 -10.349 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.615 8.591 -11.730 1.00 0.00 H new ATOM 0 HH21 ARG A 82 11.762 11.384 -9.755 1.00 0.00 H new ATOM 0 HH22 ARG A 82 11.981 10.768 -11.396 1.00 0.00 H new ATOM 1209 N VAL A 83 10.421 4.199 -4.469 1.00 0.00 N ATOM 1210 CA VAL A 83 10.183 2.787 -4.197 1.00 0.00 C ATOM 1211 C VAL A 83 9.245 2.178 -5.233 1.00 0.00 C ATOM 1212 O VAL A 83 8.648 2.891 -6.039 1.00 0.00 O ATOM 1213 CB VAL A 83 9.585 2.578 -2.793 1.00 0.00 C ATOM 1214 CG1 VAL A 83 10.643 2.803 -1.723 1.00 0.00 C ATOM 1215 CG2 VAL A 83 8.394 3.501 -2.579 1.00 0.00 C ATOM 0 H VAL A 83 9.600 4.710 -4.792 1.00 0.00 H new ATOM 0 HA VAL A 83 11.151 2.288 -4.249 1.00 0.00 H new ATOM 0 HB VAL A 83 9.237 1.548 -2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.202 2.651 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.462 2.098 -1.867 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.024 3.822 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.984 3.340 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.715 4.538 -2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.629 3.287 -3.325 1.00 0.00 H new ATOM 1225 N MET A 84 9.119 0.855 -5.205 1.00 0.00 N ATOM 1226 CA MET A 84 8.251 0.150 -6.141 1.00 0.00 C ATOM 1227 C MET A 84 7.343 -0.831 -5.406 1.00 0.00 C ATOM 1228 O MET A 84 7.787 -1.889 -4.960 1.00 0.00 O ATOM 1229 CB MET A 84 9.088 -0.594 -7.183 1.00 0.00 C ATOM 1230 CG MET A 84 8.288 -1.593 -8.004 1.00 0.00 C ATOM 1231 SD MET A 84 9.335 -2.777 -8.870 1.00 0.00 S ATOM 1232 CE MET A 84 10.408 -1.673 -9.786 1.00 0.00 C ATOM 0 H MET A 84 9.607 0.250 -4.544 1.00 0.00 H new ATOM 0 HA MET A 84 7.627 0.887 -6.646 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.546 0.132 -7.855 1.00 0.00 H new ATOM 0 HB3 MET A 84 9.900 -1.118 -6.678 1.00 0.00 H new ATOM 0 HG2 MET A 84 7.604 -2.131 -7.348 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.678 -1.055 -8.729 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.967 -2.242 -10.529 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.807 -0.914 -10.287 1.00 0.00 H new ATOM 0 HE3 MET A 84 11.104 -1.190 -9.100 1.00 0.00 H new ATOM 1242 N PHE A 85 6.069 -0.472 -5.284 1.00 0.00 N ATOM 1243 CA PHE A 85 5.098 -1.321 -4.603 1.00 0.00 C ATOM 1244 C PHE A 85 4.271 -2.117 -5.608 1.00 0.00 C ATOM 1245 O PHE A 85 3.706 -1.556 -6.548 1.00 0.00 O ATOM 1246 CB PHE A 85 4.176 -0.472 -3.725 1.00 0.00 C ATOM 1247 CG PHE A 85 4.881 0.184 -2.572 1.00 0.00 C ATOM 1248 CD1 PHE A 85 5.303 -0.564 -1.485 1.00 0.00 C ATOM 1249 CD2 PHE A 85 5.122 1.548 -2.577 1.00 0.00 C ATOM 1250 CE1 PHE A 85 5.953 0.037 -0.423 1.00 0.00 C ATOM 1251 CE2 PHE A 85 5.772 2.154 -1.518 1.00 0.00 C ATOM 1252 CZ PHE A 85 6.187 1.398 -0.439 1.00 0.00 C ATOM 0 H PHE A 85 5.685 0.400 -5.648 1.00 0.00 H new ATOM 0 HA PHE A 85 5.644 -2.023 -3.973 1.00 0.00 H new ATOM 0 HB2 PHE A 85 3.709 0.297 -4.340 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.374 -1.102 -3.339 1.00 0.00 H new ATOM 0 HD1 PHE A 85 5.122 -1.629 -1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.799 2.145 -3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.277 -0.557 0.418 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.955 3.218 -1.534 1.00 0.00 H new ATOM 0 HZ PHE A 85 6.693 1.870 0.390 1.00 0.00 H new ATOM 1262 N LEU A 86 4.205 -3.428 -5.404 1.00 0.00 N ATOM 1263 CA LEU A 86 3.448 -4.303 -6.292 1.00 0.00 C ATOM 1264 C LEU A 86 2.360 -5.048 -5.525 1.00 0.00 C ATOM 1265 O LEU A 86 2.651 -5.870 -4.654 1.00 0.00 O ATOM 1266 CB LEU A 86 4.384 -5.304 -6.973 1.00 0.00 C ATOM 1267 CG LEU A 86 3.715 -6.338 -7.879 1.00 0.00 C ATOM 1268 CD1 LEU A 86 3.526 -5.777 -9.280 1.00 0.00 C ATOM 1269 CD2 LEU A 86 4.535 -7.620 -7.922 1.00 0.00 C ATOM 0 H LEU A 86 4.667 -3.908 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 86 2.972 -3.684 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.110 -4.747 -7.565 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.941 -5.834 -6.200 1.00 0.00 H new ATOM 0 HG LEU A 86 2.733 -6.572 -7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.049 -6.527 -9.911 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.897 -4.888 -9.234 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.497 -5.514 -9.701 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.044 -8.345 -8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.531 -7.402 -8.309 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.619 -8.032 -6.916 1.00 0.00 H new ATOM 1281 N LEU A 87 1.107 -4.756 -5.854 1.00 0.00 N ATOM 1282 CA LEU A 87 -0.026 -5.400 -5.198 1.00 0.00 C ATOM 1283 C LEU A 87 -1.058 -5.861 -6.222 1.00 0.00 C ATOM 1284 O LEU A 87 -0.920 -5.604 -7.418 1.00 0.00 O ATOM 1285 CB LEU A 87 -0.675 -4.440 -4.200 1.00 0.00 C ATOM 1286 CG LEU A 87 0.253 -3.404 -3.564 1.00 0.00 C ATOM 1287 CD1 LEU A 87 0.333 -2.156 -4.431 1.00 0.00 C ATOM 1288 CD2 LEU A 87 -0.221 -3.051 -2.162 1.00 0.00 C ATOM 0 H LEU A 87 0.849 -4.078 -6.571 1.00 0.00 H new ATOM 0 HA LEU A 87 0.344 -6.275 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.483 -3.912 -4.707 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.130 -5.029 -3.403 1.00 0.00 H new ATOM 0 HG LEU A 87 1.251 -3.836 -3.490 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.998 -1.430 -3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.720 -2.421 -5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.661 -1.722 -4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.452 -2.313 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.229 -2.639 -2.212 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.226 -3.948 -1.543 1.00 0.00 H new ATOM 1300 N VAL A 88 -2.095 -6.543 -5.744 1.00 0.00 N ATOM 1301 CA VAL A 88 -3.153 -7.037 -6.617 1.00 0.00 C ATOM 1302 C VAL A 88 -4.497 -6.415 -6.258 1.00 0.00 C ATOM 1303 O VAL A 88 -4.772 -6.137 -5.091 1.00 0.00 O ATOM 1304 CB VAL A 88 -3.273 -8.571 -6.540 1.00 0.00 C ATOM 1305 CG1 VAL A 88 -4.366 -9.069 -7.474 1.00 0.00 C ATOM 1306 CG2 VAL A 88 -1.940 -9.227 -6.870 1.00 0.00 C ATOM 0 H VAL A 88 -2.224 -6.766 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.884 -6.751 -7.634 1.00 0.00 H new ATOM 0 HB VAL A 88 -3.545 -8.846 -5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.436 -10.155 -7.406 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.319 -8.625 -7.188 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.127 -8.784 -8.499 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.043 -10.310 -6.811 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.636 -8.946 -7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.185 -8.895 -6.158 1.00 0.00 H new ATOM 1316 N ASP A 89 -5.331 -6.198 -7.269 1.00 0.00 N ATOM 1317 CA ASP A 89 -6.649 -5.609 -7.061 1.00 0.00 C ATOM 1318 C ASP A 89 -7.518 -6.515 -6.194 1.00 0.00 C ATOM 1319 O ASP A 89 -7.702 -7.694 -6.499 1.00 0.00 O ATOM 1320 CB ASP A 89 -7.336 -5.355 -8.403 1.00 0.00 C ATOM 1321 CG ASP A 89 -6.958 -4.014 -9.002 1.00 0.00 C ATOM 1322 OD1 ASP A 89 -5.749 -3.707 -9.053 1.00 0.00 O ATOM 1323 OD2 ASP A 89 -7.872 -3.271 -9.418 1.00 0.00 O ATOM 0 H ASP A 89 -5.118 -6.421 -8.241 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.517 -4.658 -6.544 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.070 -6.149 -9.100 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.417 -5.398 -8.269 1.00 0.00 H new ATOM 1328 N LYS A 90 -8.050 -5.958 -5.112 1.00 0.00 N ATOM 1329 CA LYS A 90 -8.900 -6.714 -4.200 1.00 0.00 C ATOM 1330 C LYS A 90 -9.873 -7.600 -4.972 1.00 0.00 C ATOM 1331 O LYS A 90 -10.061 -8.769 -4.636 1.00 0.00 O ATOM 1332 CB LYS A 90 -9.675 -5.763 -3.286 1.00 0.00 C ATOM 1333 CG LYS A 90 -10.556 -4.780 -4.037 1.00 0.00 C ATOM 1334 CD LYS A 90 -11.303 -3.860 -3.085 1.00 0.00 C ATOM 1335 CE LYS A 90 -12.115 -2.819 -3.839 1.00 0.00 C ATOM 1336 NZ LYS A 90 -11.242 -1.838 -4.543 1.00 0.00 N ATOM 0 H LYS A 90 -7.907 -4.984 -4.845 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.260 -7.352 -3.591 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.295 -6.349 -2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.968 -5.207 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -9.943 -4.185 -4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -11.271 -5.327 -4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.965 -4.450 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.592 -3.361 -2.426 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.760 -3.316 -4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.766 -2.291 -3.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.831 -1.106 -4.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.597 -1.394 -3.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -10.688 -2.328 -5.274 1.00 0.00 H new ATOM 1350 N GLU A 91 -10.486 -7.035 -6.007 1.00 0.00 N ATOM 1351 CA GLU A 91 -11.439 -7.775 -6.826 1.00 0.00 C ATOM 1352 C GLU A 91 -10.760 -8.952 -7.522 1.00 0.00 C ATOM 1353 O GLU A 91 -11.260 -10.077 -7.496 1.00 0.00 O ATOM 1354 CB GLU A 91 -12.076 -6.852 -7.867 1.00 0.00 C ATOM 1355 CG GLU A 91 -13.027 -5.828 -7.271 1.00 0.00 C ATOM 1356 CD GLU A 91 -13.146 -4.578 -8.120 1.00 0.00 C ATOM 1357 OE1 GLU A 91 -12.324 -3.656 -7.935 1.00 0.00 O ATOM 1358 OE2 GLU A 91 -14.059 -4.521 -8.969 1.00 0.00 O ATOM 0 H GLU A 91 -10.340 -6.068 -6.298 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.218 -8.163 -6.170 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -11.287 -6.331 -8.409 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -12.617 -7.457 -8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.013 -6.278 -7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.681 -5.554 -6.274 1.00 0.00 H new