USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 604 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 44 HIS : no HE2:sc= 0.0385 K(o=-0.64,f=-3!) USER MOD Set 1.2: A 93 MET CE :methyl -169:sc= -0.682 (180deg=-0.517) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.08) USER MOD Single : A 21 SER OG : rot 36:sc= 1.19 USER MOD Single : A 22 CYS SG : rot 180:sc= -0.86 USER MOD Single : A 23 SER OG : rot 119:sc= 1.21 USER MOD Single : A 28 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.036) USER MOD Single : A 29 ASN : amide:sc= 0.481 K(o=0.48,f=-0.072) USER MOD Single : A 32 SER OG : rot -94:sc= 0.586 USER MOD Single : A 34 CYS SG : rot -24:sc= -0.223 USER MOD Single : A 35 THR OG1 : rot 72:sc= 0.733 USER MOD Single : A 37 HIS : no HE2:sc= 0.542 K(o=0.54,f=-2.1!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 15:sc= 0.328 USER MOD Single : A 63 SER OG : rot -76:sc= 1.6 USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= 2.04 (180deg=1.7) USER MOD Single : A 69 MET CE :methyl -178:sc= 0 (180deg=-0.00405) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 1.1 (180deg=1.05) USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= 3.03 (180deg=2.83) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 149:sc= 1.22 (180deg=0.103) USER MOD Single : A 88 SER OG : rot 72:sc= 1.26 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -11.741 -0.905 0.837 1.00 0.00 N ATOM 127 CA PHE A 11 -10.872 0.255 1.055 1.00 0.00 C ATOM 128 C PHE A 11 -9.500 0.001 0.442 1.00 0.00 C ATOM 129 O PHE A 11 -8.460 0.232 1.058 1.00 0.00 O ATOM 130 CB PHE A 11 -10.760 0.566 2.553 1.00 0.00 C ATOM 131 CG PHE A 11 -12.084 0.881 3.207 1.00 0.00 C ATOM 132 CD1 PHE A 11 -12.903 1.854 2.612 1.00 0.00 C ATOM 133 CD2 PHE A 11 -12.501 0.233 4.383 1.00 0.00 C ATOM 134 CE1 PHE A 11 -14.125 2.203 3.203 1.00 0.00 C ATOM 135 CE2 PHE A 11 -13.731 0.578 4.973 1.00 0.00 C ATOM 136 CZ PHE A 11 -14.541 1.570 4.388 1.00 0.00 C ATOM 0 HA PHE A 11 -11.310 1.125 0.565 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -10.308 -0.287 3.060 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.086 1.412 2.690 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.591 2.335 1.697 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.879 -0.527 4.832 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.748 2.959 2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.054 0.081 5.876 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.479 1.844 4.848 1.00 0.00 H new ATOM 146 N VAL A 12 -9.489 -0.579 -0.753 1.00 0.00 N ATOM 147 CA VAL A 12 -8.220 -1.005 -1.345 1.00 0.00 C ATOM 148 C VAL A 12 -7.393 0.209 -1.739 1.00 0.00 C ATOM 149 O VAL A 12 -7.895 1.176 -2.317 1.00 0.00 O ATOM 150 CB VAL A 12 -8.336 -2.000 -2.511 1.00 0.00 C ATOM 151 CG1 VAL A 12 -6.947 -2.584 -2.847 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.210 -3.183 -2.113 1.00 0.00 C ATOM 0 H VAL A 12 -10.317 -0.763 -1.320 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.711 -1.569 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.761 -1.463 -3.359 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.039 -3.288 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.272 -1.777 -3.131 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.548 -3.100 -1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.283 -3.879 -2.949 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.767 -3.690 -1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.206 -2.827 -1.849 1.00 0.00 H new ATOM 162 N VAL A 13 -6.090 0.095 -1.515 1.00 0.00 N ATOM 163 CA VAL A 13 -5.084 0.854 -2.235 1.00 0.00 C ATOM 164 C VAL A 13 -4.111 -0.070 -2.944 1.00 0.00 C ATOM 165 O VAL A 13 -3.599 -1.026 -2.373 1.00 0.00 O ATOM 166 CB VAL A 13 -4.349 1.843 -1.332 1.00 0.00 C ATOM 167 CG1 VAL A 13 -5.342 2.892 -0.836 1.00 0.00 C ATOM 168 CG2 VAL A 13 -3.591 1.226 -0.154 1.00 0.00 C ATOM 0 H VAL A 13 -5.700 -0.538 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.606 1.443 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.569 2.289 -1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.827 3.603 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.770 3.420 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.138 2.403 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.106 2.015 0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.290 0.688 0.486 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.836 0.535 -0.529 1.00 0.00 H new ATOM 178 N LYS A 14 -3.876 0.217 -4.215 1.00 0.00 N ATOM 179 CA LYS A 14 -2.816 -0.358 -5.042 1.00 0.00 C ATOM 180 C LYS A 14 -1.497 0.249 -4.583 1.00 0.00 C ATOM 181 O LYS A 14 -1.445 1.419 -4.210 1.00 0.00 O ATOM 182 CB LYS A 14 -3.102 0.080 -6.478 1.00 0.00 C ATOM 183 CG LYS A 14 -1.930 0.005 -7.479 1.00 0.00 C ATOM 184 CD LYS A 14 -2.360 0.419 -8.892 1.00 0.00 C ATOM 185 CE LYS A 14 -1.237 0.266 -9.927 1.00 0.00 C ATOM 186 NZ LYS A 14 -1.030 -1.152 -10.309 1.00 0.00 N ATOM 0 H LYS A 14 -4.446 0.891 -4.727 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.770 -1.445 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.917 -0.533 -6.863 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.461 1.109 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.121 0.653 -7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.536 -1.011 -7.502 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.214 -0.185 -9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.693 1.457 -8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.479 0.850 -10.815 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.311 0.672 -9.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.336 -1.206 -11.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.676 -1.684 -9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.932 -1.562 -10.625 1.00 0.00 H new ATOM 200 N LEU A 15 -0.429 -0.517 -4.695 1.00 0.00 N ATOM 201 CA LEU A 15 0.908 -0.221 -4.228 1.00 0.00 C ATOM 202 C LEU A 15 1.894 -0.623 -5.313 1.00 0.00 C ATOM 203 O LEU A 15 1.976 -1.797 -5.660 1.00 0.00 O ATOM 204 CB LEU A 15 1.089 -0.989 -2.903 1.00 0.00 C ATOM 205 CG LEU A 15 0.560 -0.125 -1.765 1.00 0.00 C ATOM 206 CD1 LEU A 15 -0.205 -0.915 -0.722 1.00 0.00 C ATOM 207 CD2 LEU A 15 1.657 0.695 -1.144 1.00 0.00 C ATOM 0 H LEU A 15 -0.479 -1.429 -5.149 1.00 0.00 H new ATOM 0 HA LEU A 15 1.081 0.838 -4.034 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.553 -1.937 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.141 -1.224 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.161 0.560 -2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.555 -0.241 0.060 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.060 -1.403 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.449 -1.670 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.246 1.300 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.426 0.033 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.095 1.348 -1.899 1.00 0.00 H new ATOM 219 N ARG A 16 2.642 0.345 -5.847 1.00 0.00 N ATOM 220 CA ARG A 16 3.598 0.124 -6.946 1.00 0.00 C ATOM 221 C ARG A 16 4.943 0.792 -6.683 1.00 0.00 C ATOM 222 O ARG A 16 4.993 1.931 -6.238 1.00 0.00 O ATOM 223 CB ARG A 16 2.961 0.625 -8.252 1.00 0.00 C ATOM 224 CG ARG A 16 3.789 0.252 -9.494 1.00 0.00 C ATOM 225 CD ARG A 16 4.567 1.384 -10.171 1.00 0.00 C ATOM 226 NE ARG A 16 3.792 2.602 -10.470 1.00 0.00 N ATOM 227 CZ ARG A 16 2.779 2.772 -11.295 1.00 0.00 C ATOM 228 NH1 ARG A 16 2.239 1.792 -11.965 1.00 0.00 N ATOM 229 NH2 ARG A 16 2.290 3.964 -11.462 1.00 0.00 N ATOM 0 H ARG A 16 2.605 1.314 -5.530 1.00 0.00 H new ATOM 0 HA ARG A 16 3.809 -0.942 -7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.960 0.206 -8.348 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.850 1.708 -8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.499 -0.524 -9.208 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.117 -0.186 -10.231 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.406 1.657 -9.531 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.987 1.005 -11.103 1.00 0.00 H new ATOM 0 HE ARG A 16 4.083 3.437 -9.963 1.00 0.00 H new ATOM 0 HH11 ARG A 16 2.600 0.844 -11.862 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.455 1.974 -12.592 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.690 4.755 -10.957 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.506 4.109 -12.098 1.00 0.00 H new ATOM 243 N GLY A 17 6.035 0.093 -6.971 1.00 0.00 N ATOM 244 CA GLY A 17 7.400 0.628 -6.890 1.00 0.00 C ATOM 245 C GLY A 17 8.320 -0.129 -5.924 1.00 0.00 C ATOM 246 O GLY A 17 9.539 -0.167 -6.110 1.00 0.00 O ATOM 0 H GLY A 17 6.002 -0.880 -7.274 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.844 0.610 -7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.350 1.672 -6.582 1.00 0.00 H new ATOM 250 N LEU A 18 7.695 -0.715 -4.899 1.00 0.00 N ATOM 251 CA LEU A 18 8.244 -1.537 -3.814 1.00 0.00 C ATOM 252 C LEU A 18 9.327 -2.545 -4.267 1.00 0.00 C ATOM 253 O LEU A 18 9.334 -2.971 -5.420 1.00 0.00 O ATOM 254 CB LEU A 18 7.117 -2.266 -3.026 1.00 0.00 C ATOM 255 CG LEU A 18 5.692 -2.307 -3.624 1.00 0.00 C ATOM 256 CD1 LEU A 18 4.974 -3.563 -3.150 1.00 0.00 C ATOM 257 CD2 LEU A 18 4.821 -1.095 -3.252 1.00 0.00 C ATOM 0 H LEU A 18 6.685 -0.615 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 18 8.746 -0.832 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.438 -3.296 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.048 -1.800 -2.043 1.00 0.00 H new ATOM 0 HG LEU A 18 5.826 -2.295 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.970 -3.590 -3.573 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.528 -4.444 -3.475 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.909 -3.556 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.837 -1.199 -3.710 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.713 -1.043 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.294 -0.182 -3.613 1.00 0.00 H new ATOM 269 N PRO A 19 10.221 -2.990 -3.359 1.00 0.00 N ATOM 270 CA PRO A 19 11.228 -4.006 -3.646 1.00 0.00 C ATOM 271 C PRO A 19 10.606 -5.292 -4.198 1.00 0.00 C ATOM 272 O PRO A 19 9.565 -5.750 -3.722 1.00 0.00 O ATOM 273 CB PRO A 19 11.951 -4.270 -2.317 1.00 0.00 C ATOM 274 CG PRO A 19 11.685 -3.008 -1.502 1.00 0.00 C ATOM 275 CD PRO A 19 10.294 -2.600 -1.968 1.00 0.00 C ATOM 0 HA PRO A 19 11.916 -3.659 -4.417 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.561 -5.158 -1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.018 -4.432 -2.467 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.712 -3.204 -0.430 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.424 -2.232 -1.703 1.00 0.00 H new ATOM 0 HD2 PRO A 19 9.522 -3.097 -1.380 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.141 -1.527 -1.853 1.00 0.00 H new ATOM 283 N TRP A 20 11.292 -5.939 -5.139 1.00 0.00 N ATOM 284 CA TRP A 20 10.906 -7.226 -5.732 1.00 0.00 C ATOM 285 C TRP A 20 11.139 -8.423 -4.773 1.00 0.00 C ATOM 286 O TRP A 20 11.562 -9.490 -5.201 1.00 0.00 O ATOM 287 CB TRP A 20 11.576 -7.356 -7.119 1.00 0.00 C ATOM 288 CG TRP A 20 10.817 -6.727 -8.259 1.00 0.00 C ATOM 289 CD1 TRP A 20 10.166 -7.428 -9.216 1.00 0.00 C ATOM 290 CD2 TRP A 20 10.574 -5.314 -8.579 1.00 0.00 C ATOM 291 NE1 TRP A 20 9.521 -6.566 -10.079 1.00 0.00 N ATOM 292 CE2 TRP A 20 9.726 -5.251 -9.729 1.00 0.00 C ATOM 293 CE3 TRP A 20 10.955 -4.074 -8.015 1.00 0.00 C ATOM 294 CZ2 TRP A 20 9.247 -4.044 -10.258 1.00 0.00 C ATOM 295 CZ3 TRP A 20 10.487 -2.853 -8.543 1.00 0.00 C ATOM 296 CH2 TRP A 20 9.628 -2.834 -9.656 1.00 0.00 C ATOM 0 H TRP A 20 12.162 -5.572 -5.525 1.00 0.00 H new ATOM 0 HA TRP A 20 9.828 -7.252 -5.891 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.567 -6.904 -7.070 1.00 0.00 H new ATOM 0 HB3 TRP A 20 11.719 -8.414 -7.338 1.00 0.00 H new ATOM 0 HD1 TRP A 20 10.153 -8.505 -9.293 1.00 0.00 H new ATOM 0 HE1 TRP A 20 8.962 -6.866 -10.877 1.00 0.00 H new ATOM 0 HE3 TRP A 20 11.618 -4.062 -7.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 8.593 -4.045 -11.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 10.792 -1.922 -8.088 1.00 0.00 H new ATOM 0 HH2 TRP A 20 9.264 -1.895 -10.045 1.00 0.00 H new ATOM 307 N SER A 21 10.877 -8.253 -3.470 1.00 0.00 N ATOM 308 CA SER A 21 10.679 -9.284 -2.420 1.00 0.00 C ATOM 309 C SER A 21 9.980 -8.704 -1.161 1.00 0.00 C ATOM 310 O SER A 21 10.122 -9.231 -0.057 1.00 0.00 O ATOM 311 CB SER A 21 12.004 -9.970 -2.027 1.00 0.00 C ATOM 312 OG SER A 21 12.448 -10.859 -3.039 1.00 0.00 O ATOM 0 H SER A 21 10.789 -7.314 -3.082 1.00 0.00 H new ATOM 0 HA SER A 21 10.023 -10.039 -2.854 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.767 -9.213 -1.845 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.869 -10.517 -1.094 1.00 0.00 H new ATOM 0 HG SER A 21 12.227 -10.489 -3.919 1.00 0.00 H new ATOM 318 N CYS A 22 9.245 -7.590 -1.299 1.00 0.00 N ATOM 319 CA CYS A 22 8.499 -6.911 -0.225 1.00 0.00 C ATOM 320 C CYS A 22 7.444 -7.826 0.446 1.00 0.00 C ATOM 321 O CYS A 22 7.021 -8.832 -0.131 1.00 0.00 O ATOM 322 CB CYS A 22 7.877 -5.662 -0.875 1.00 0.00 C ATOM 323 SG CYS A 22 7.248 -4.474 0.339 1.00 0.00 S ATOM 0 H CYS A 22 9.149 -7.117 -2.198 1.00 0.00 H new ATOM 0 HA CYS A 22 9.161 -6.637 0.596 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.625 -5.174 -1.500 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.063 -5.968 -1.532 1.00 0.00 H new ATOM 0 HG CYS A 22 6.741 -3.449 -0.279 1.00 0.00 H new ATOM 329 N SER A 23 6.995 -7.480 1.656 1.00 0.00 N ATOM 330 CA SER A 23 5.964 -8.221 2.400 1.00 0.00 C ATOM 331 C SER A 23 5.062 -7.328 3.235 1.00 0.00 C ATOM 332 O SER A 23 5.301 -6.144 3.453 1.00 0.00 O ATOM 333 CB SER A 23 6.562 -9.284 3.335 1.00 0.00 C ATOM 334 OG SER A 23 7.439 -8.707 4.286 1.00 0.00 O ATOM 0 H SER A 23 7.342 -6.663 2.158 1.00 0.00 H new ATOM 0 HA SER A 23 5.371 -8.699 1.620 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.758 -9.809 3.852 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.100 -10.026 2.746 1.00 0.00 H new ATOM 0 HG SER A 23 7.099 -8.876 5.189 1.00 0.00 H new ATOM 340 N VAL A 24 4.004 -7.930 3.749 1.00 0.00 N ATOM 341 CA VAL A 24 3.102 -7.445 4.766 1.00 0.00 C ATOM 342 C VAL A 24 3.703 -6.691 5.952 1.00 0.00 C ATOM 343 O VAL A 24 3.082 -5.762 6.453 1.00 0.00 O ATOM 344 CB VAL A 24 2.309 -8.653 5.257 1.00 0.00 C ATOM 345 CG1 VAL A 24 1.150 -8.104 6.026 1.00 0.00 C ATOM 346 CG2 VAL A 24 1.769 -9.484 4.089 1.00 0.00 C ATOM 0 H VAL A 24 3.733 -8.860 3.430 1.00 0.00 H new ATOM 0 HA VAL A 24 2.496 -6.675 4.289 1.00 0.00 H new ATOM 0 HB VAL A 24 2.948 -9.301 5.856 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.542 -8.926 6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.517 -7.509 6.862 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.544 -7.476 5.372 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.210 -10.336 4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.112 -8.867 3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.601 -9.842 3.482 1.00 0.00 H new ATOM 356 N GLU A 25 4.905 -7.015 6.413 1.00 0.00 N ATOM 357 CA GLU A 25 5.539 -6.265 7.504 1.00 0.00 C ATOM 358 C GLU A 25 6.148 -4.947 7.006 1.00 0.00 C ATOM 359 O GLU A 25 6.476 -4.051 7.781 1.00 0.00 O ATOM 360 CB GLU A 25 6.616 -7.146 8.139 1.00 0.00 C ATOM 361 CG GLU A 25 6.051 -8.432 8.762 1.00 0.00 C ATOM 362 CD GLU A 25 5.792 -9.584 7.765 1.00 0.00 C ATOM 363 OE1 GLU A 25 6.368 -9.597 6.654 1.00 0.00 O ATOM 364 OE2 GLU A 25 5.000 -10.503 8.099 1.00 0.00 O ATOM 0 H GLU A 25 5.464 -7.789 6.053 1.00 0.00 H new ATOM 0 HA GLU A 25 4.781 -6.006 8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.354 -7.410 7.382 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.137 -6.575 8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.745 -8.782 9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.115 -8.192 9.267 1.00 0.00 H new ATOM 371 N ASP A 26 6.243 -4.814 5.688 1.00 0.00 N ATOM 372 CA ASP A 26 6.972 -3.801 4.942 1.00 0.00 C ATOM 373 C ASP A 26 6.032 -2.843 4.180 1.00 0.00 C ATOM 374 O ASP A 26 6.410 -1.735 3.800 1.00 0.00 O ATOM 375 CB ASP A 26 7.868 -4.545 3.952 1.00 0.00 C ATOM 376 CG ASP A 26 9.199 -3.836 3.660 1.00 0.00 C ATOM 377 OD1 ASP A 26 9.600 -2.908 4.402 1.00 0.00 O ATOM 378 OD2 ASP A 26 9.864 -4.254 2.679 1.00 0.00 O ATOM 0 H ASP A 26 5.771 -5.468 5.064 1.00 0.00 H new ATOM 0 HA ASP A 26 7.547 -3.183 5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.077 -5.541 4.344 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.326 -4.678 3.016 1.00 0.00 H new ATOM 383 N VAL A 27 4.769 -3.253 4.026 1.00 0.00 N ATOM 384 CA VAL A 27 3.653 -2.424 3.535 1.00 0.00 C ATOM 385 C VAL A 27 3.124 -1.650 4.734 1.00 0.00 C ATOM 386 O VAL A 27 2.887 -0.448 4.677 1.00 0.00 O ATOM 387 CB VAL A 27 2.561 -3.324 2.909 1.00 0.00 C ATOM 388 CG1 VAL A 27 1.818 -4.210 3.883 1.00 0.00 C ATOM 389 CG2 VAL A 27 1.572 -2.588 2.037 1.00 0.00 C ATOM 0 H VAL A 27 4.481 -4.206 4.247 1.00 0.00 H new ATOM 0 HA VAL A 27 3.975 -1.733 2.756 1.00 0.00 H new ATOM 0 HB VAL A 27 3.157 -3.977 2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.076 -4.800 3.345 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.523 -4.878 4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.319 -3.592 4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.842 -3.293 1.639 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.059 -1.830 2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.100 -2.109 1.213 1.00 0.00 H new ATOM 399 N GLN A 28 3.083 -2.350 5.869 1.00 0.00 N ATOM 400 CA GLN A 28 2.832 -1.840 7.196 1.00 0.00 C ATOM 401 C GLN A 28 4.033 -1.087 7.819 1.00 0.00 C ATOM 402 O GLN A 28 3.831 -0.296 8.735 1.00 0.00 O ATOM 403 CB GLN A 28 2.481 -3.083 8.000 1.00 0.00 C ATOM 404 CG GLN A 28 1.091 -3.690 7.728 1.00 0.00 C ATOM 405 CD GLN A 28 0.758 -4.625 8.876 1.00 0.00 C ATOM 406 OE1 GLN A 28 0.081 -4.301 9.841 1.00 0.00 O ATOM 407 NE2 GLN A 28 1.311 -5.808 8.814 1.00 0.00 N ATOM 0 H GLN A 28 3.237 -3.358 5.873 1.00 0.00 H new ATOM 0 HA GLN A 28 2.042 -1.089 7.183 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.234 -3.845 7.801 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.548 -2.837 9.060 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.341 -2.904 7.646 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.090 -4.232 6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.874 -6.066 8.003 1.00 0.00 H new ATOM 0 HE22 GLN A 28 1.180 -6.473 9.576 1.00 0.00 H new ATOM 416 N ASN A 29 5.269 -1.269 7.326 1.00 0.00 N ATOM 417 CA ASN A 29 6.397 -0.346 7.563 1.00 0.00 C ATOM 418 C ASN A 29 6.188 0.983 6.825 1.00 0.00 C ATOM 419 O ASN A 29 6.248 2.045 7.446 1.00 0.00 O ATOM 420 CB ASN A 29 7.693 -1.015 7.070 1.00 0.00 C ATOM 421 CG ASN A 29 8.935 -0.137 7.007 1.00 0.00 C ATOM 422 OD1 ASN A 29 9.140 0.774 7.793 1.00 0.00 O ATOM 423 ND2 ASN A 29 9.796 -0.385 6.045 1.00 0.00 N ATOM 0 H ASN A 29 5.518 -2.069 6.745 1.00 0.00 H new ATOM 0 HA ASN A 29 6.462 -0.131 8.630 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.908 -1.862 7.722 1.00 0.00 H new ATOM 0 HB3 ASN A 29 7.510 -1.418 6.074 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.637 0.184 5.954 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.623 -1.147 5.389 1.00 0.00 H new ATOM 430 N PHE A 30 5.899 0.946 5.515 1.00 0.00 N ATOM 431 CA PHE A 30 5.629 2.147 4.738 1.00 0.00 C ATOM 432 C PHE A 30 4.425 2.905 5.283 1.00 0.00 C ATOM 433 O PHE A 30 4.466 4.127 5.399 1.00 0.00 O ATOM 434 CB PHE A 30 5.477 1.786 3.262 1.00 0.00 C ATOM 435 CG PHE A 30 5.151 2.996 2.422 1.00 0.00 C ATOM 436 CD1 PHE A 30 6.091 4.027 2.315 1.00 0.00 C ATOM 437 CD2 PHE A 30 3.917 3.113 1.773 1.00 0.00 C ATOM 438 CE1 PHE A 30 5.835 5.138 1.502 1.00 0.00 C ATOM 439 CE2 PHE A 30 3.640 4.253 0.994 1.00 0.00 C ATOM 440 CZ PHE A 30 4.610 5.258 0.826 1.00 0.00 C ATOM 0 H PHE A 30 5.848 0.083 4.974 1.00 0.00 H new ATOM 0 HA PHE A 30 6.477 2.826 4.828 1.00 0.00 H new ATOM 0 HB2 PHE A 30 6.400 1.331 2.902 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.689 1.041 3.149 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.020 3.965 2.863 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.179 2.331 1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 30 6.585 5.908 1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.674 4.357 0.521 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.416 6.107 0.188 1.00 0.00 H new ATOM 450 N LEU A 31 3.395 2.178 5.712 1.00 0.00 N ATOM 451 CA LEU A 31 2.155 2.734 6.256 1.00 0.00 C ATOM 452 C LEU A 31 1.960 2.386 7.724 1.00 0.00 C ATOM 453 O LEU A 31 0.865 2.123 8.212 1.00 0.00 O ATOM 454 CB LEU A 31 1.006 2.395 5.345 1.00 0.00 C ATOM 455 CG LEU A 31 1.201 3.267 4.097 1.00 0.00 C ATOM 456 CD1 LEU A 31 0.712 2.418 2.984 1.00 0.00 C ATOM 457 CD2 LEU A 31 0.461 4.597 4.141 1.00 0.00 C ATOM 0 H LEU A 31 3.399 1.158 5.691 1.00 0.00 H new ATOM 0 HA LEU A 31 2.213 3.822 6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.008 1.336 5.088 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.050 2.604 5.825 1.00 0.00 H new ATOM 0 HG LEU A 31 2.245 3.563 3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.811 2.959 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.300 1.502 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.336 2.169 3.150 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.653 5.151 3.222 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.609 4.415 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.809 5.179 4.994 1.00 0.00 H new ATOM 469 N SER A 32 3.074 2.493 8.429 1.00 0.00 N ATOM 470 CA SER A 32 3.136 2.728 9.872 1.00 0.00 C ATOM 471 C SER A 32 2.391 4.017 10.286 1.00 0.00 C ATOM 472 O SER A 32 1.963 4.166 11.431 1.00 0.00 O ATOM 473 CB SER A 32 4.604 2.732 10.303 1.00 0.00 C ATOM 474 OG SER A 32 5.347 3.739 9.640 1.00 0.00 O ATOM 0 H SER A 32 3.997 2.417 8.001 1.00 0.00 H new ATOM 0 HA SER A 32 2.618 1.922 10.392 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.665 2.886 11.380 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.046 1.758 10.094 1.00 0.00 H new ATOM 0 HG SER A 32 5.771 3.361 8.841 1.00 0.00 H new ATOM 480 N ASP A 33 2.139 4.905 9.315 1.00 0.00 N ATOM 481 CA ASP A 33 1.168 6.007 9.324 1.00 0.00 C ATOM 482 C ASP A 33 -0.305 5.591 9.532 1.00 0.00 C ATOM 483 O ASP A 33 -1.124 6.429 9.913 1.00 0.00 O ATOM 484 CB ASP A 33 1.235 6.697 7.949 1.00 0.00 C ATOM 485 CG ASP A 33 2.397 7.687 7.823 1.00 0.00 C ATOM 486 OD1 ASP A 33 3.505 7.282 7.397 1.00 0.00 O ATOM 487 OD2 ASP A 33 2.168 8.889 8.098 1.00 0.00 O ATOM 0 H ASP A 33 2.650 4.868 8.433 1.00 0.00 H new ATOM 0 HA ASP A 33 1.443 6.639 10.169 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.329 5.937 7.173 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.298 7.223 7.768 1.00 0.00 H new ATOM 492 N CYS A 34 -0.675 4.346 9.212 1.00 0.00 N ATOM 493 CA CYS A 34 -2.010 4.018 8.705 1.00 0.00 C ATOM 494 C CYS A 34 -2.621 2.750 9.331 1.00 0.00 C ATOM 495 O CYS A 34 -1.908 1.840 9.764 1.00 0.00 O ATOM 496 CB CYS A 34 -1.876 3.861 7.177 1.00 0.00 C ATOM 497 SG CYS A 34 -3.356 4.480 6.355 1.00 0.00 S ATOM 0 H CYS A 34 -0.057 3.539 9.297 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.697 4.819 8.978 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.000 4.405 6.824 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.723 2.812 6.924 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.358 4.445 7.182 1.00 0.00 H new ATOM 503 N THR A 35 -3.954 2.661 9.333 1.00 0.00 N ATOM 504 CA THR A 35 -4.707 1.469 9.754 1.00 0.00 C ATOM 505 C THR A 35 -5.092 0.645 8.529 1.00 0.00 C ATOM 506 O THR A 35 -5.780 1.126 7.630 1.00 0.00 O ATOM 507 CB THR A 35 -6.015 1.814 10.503 1.00 0.00 C ATOM 508 OG1 THR A 35 -5.964 3.066 11.152 1.00 0.00 O ATOM 509 CG2 THR A 35 -6.392 0.769 11.548 1.00 0.00 C ATOM 0 H THR A 35 -4.555 3.430 9.036 1.00 0.00 H new ATOM 0 HA THR A 35 -4.052 0.918 10.429 1.00 0.00 H new ATOM 0 HB THR A 35 -6.770 1.839 9.717 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.999 3.782 10.484 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.318 1.065 12.041 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.532 -0.197 11.063 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.596 0.691 12.288 1.00 0.00 H new ATOM 517 N ILE A 36 -4.705 -0.625 8.507 1.00 0.00 N ATOM 518 CA ILE A 36 -5.294 -1.640 7.617 1.00 0.00 C ATOM 519 C ILE A 36 -6.463 -2.299 8.373 1.00 0.00 C ATOM 520 O ILE A 36 -6.537 -2.248 9.600 1.00 0.00 O ATOM 521 CB ILE A 36 -4.242 -2.734 7.263 1.00 0.00 C ATOM 522 CG1 ILE A 36 -2.751 -2.324 7.193 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.608 -3.497 5.980 1.00 0.00 C ATOM 524 CD1 ILE A 36 -2.321 -1.228 6.210 1.00 0.00 C ATOM 0 H ILE A 36 -3.967 -0.991 9.109 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.631 -1.171 6.693 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.310 -3.370 8.146 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.451 -2.005 8.191 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.175 -3.219 6.958 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.846 -4.249 5.774 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.574 -3.985 6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.664 -2.799 5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.246 -1.067 6.292 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.565 -1.535 5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.846 -0.302 6.445 1.00 0.00 H new ATOM 536 N HIS A 37 -7.361 -2.973 7.660 1.00 0.00 N ATOM 537 CA HIS A 37 -8.549 -3.646 8.215 1.00 0.00 C ATOM 538 C HIS A 37 -8.250 -4.902 9.068 1.00 0.00 C ATOM 539 O HIS A 37 -9.115 -5.447 9.756 1.00 0.00 O ATOM 540 CB HIS A 37 -9.500 -3.794 7.012 1.00 0.00 C ATOM 541 CG HIS A 37 -10.636 -4.775 6.972 1.00 0.00 C ATOM 542 ND1 HIS A 37 -11.255 -5.390 8.026 1.00 0.00 N ATOM 543 CD2 HIS A 37 -11.416 -5.004 5.868 1.00 0.00 C ATOM 544 CE1 HIS A 37 -12.364 -5.987 7.577 1.00 0.00 C ATOM 545 NE2 HIS A 37 -12.510 -5.787 6.257 1.00 0.00 N ATOM 0 H HIS A 37 -7.287 -3.074 6.648 1.00 0.00 H new ATOM 0 HA HIS A 37 -9.041 -3.065 8.995 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -9.938 -2.810 6.843 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -8.872 -4.016 6.149 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -10.926 -5.393 8.991 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -11.220 -4.642 4.869 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -13.049 -6.553 8.192 1.00 0.00 H new ATOM 553 N ASP A 38 -6.978 -5.279 9.125 1.00 0.00 N ATOM 554 CA ASP A 38 -6.397 -6.257 10.055 1.00 0.00 C ATOM 555 C ASP A 38 -4.892 -6.004 10.253 1.00 0.00 C ATOM 556 O ASP A 38 -4.419 -5.834 11.377 1.00 0.00 O ATOM 557 CB ASP A 38 -6.618 -7.664 9.483 1.00 0.00 C ATOM 558 CG ASP A 38 -5.728 -8.720 10.157 1.00 0.00 C ATOM 559 OD1 ASP A 38 -6.105 -9.243 11.233 1.00 0.00 O ATOM 560 OD2 ASP A 38 -4.646 -9.009 9.596 1.00 0.00 O ATOM 0 H ASP A 38 -6.280 -4.892 8.490 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.883 -6.161 11.026 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.664 -7.943 9.607 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.416 -7.653 8.412 1.00 0.00 H new ATOM 565 N GLY A 39 -4.155 -5.972 9.141 1.00 0.00 N ATOM 566 CA GLY A 39 -2.701 -5.827 9.082 1.00 0.00 C ATOM 567 C GLY A 39 -2.076 -6.660 7.969 1.00 0.00 C ATOM 568 O GLY A 39 -1.262 -6.163 7.197 1.00 0.00 O ATOM 0 H GLY A 39 -4.576 -6.050 8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.450 -4.777 8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.270 -6.123 10.039 1.00 0.00 H new ATOM 572 N ALA A 40 -2.554 -7.893 7.821 1.00 0.00 N ATOM 573 CA ALA A 40 -2.173 -8.837 6.769 1.00 0.00 C ATOM 574 C ALA A 40 -3.407 -9.399 6.058 1.00 0.00 C ATOM 575 O ALA A 40 -3.355 -9.675 4.861 1.00 0.00 O ATOM 576 CB ALA A 40 -1.421 -9.988 7.455 1.00 0.00 C ATOM 0 H ALA A 40 -3.249 -8.281 8.459 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.558 -8.335 6.022 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.116 -10.720 6.707 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.538 -9.596 7.960 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.075 -10.466 8.185 1.00 0.00 H new ATOM 582 N ALA A 41 -4.544 -9.486 6.751 1.00 0.00 N ATOM 583 CA ALA A 41 -5.802 -9.983 6.182 1.00 0.00 C ATOM 584 C ALA A 41 -6.524 -8.932 5.308 1.00 0.00 C ATOM 585 O ALA A 41 -7.715 -9.070 5.020 1.00 0.00 O ATOM 586 CB ALA A 41 -6.687 -10.545 7.298 1.00 0.00 C ATOM 0 H ALA A 41 -4.620 -9.212 7.731 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.568 -10.796 5.494 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.620 -10.913 6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.168 -11.364 7.797 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.904 -9.759 8.021 1.00 0.00 H new ATOM 592 N GLY A 42 -5.806 -7.885 4.874 1.00 0.00 N ATOM 593 CA GLY A 42 -6.266 -6.939 3.868 1.00 0.00 C ATOM 594 C GLY A 42 -5.257 -6.788 2.732 1.00 0.00 C ATOM 595 O GLY A 42 -5.592 -6.246 1.685 1.00 0.00 O ATOM 0 H GLY A 42 -4.871 -7.675 5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.222 -7.273 3.464 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -6.439 -5.968 4.333 1.00 0.00 H new ATOM 599 N VAL A 43 -4.022 -7.258 2.905 1.00 0.00 N ATOM 600 CA VAL A 43 -2.916 -7.012 2.012 1.00 0.00 C ATOM 601 C VAL A 43 -2.704 -8.183 1.052 1.00 0.00 C ATOM 602 O VAL A 43 -2.989 -9.341 1.367 1.00 0.00 O ATOM 603 CB VAL A 43 -1.679 -6.713 2.869 1.00 0.00 C ATOM 604 CG1 VAL A 43 -1.847 -5.785 4.070 1.00 0.00 C ATOM 605 CG2 VAL A 43 -0.803 -7.870 3.196 1.00 0.00 C ATOM 0 H VAL A 43 -3.767 -7.840 3.703 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.123 -6.152 1.375 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.142 -6.114 2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.889 -5.669 4.577 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.198 -4.811 3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.574 -6.212 4.761 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.035 -7.531 3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.375 -8.615 3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.426 -8.313 2.274 1.00 0.00 H new ATOM 615 N HIS A 44 -2.143 -7.876 -0.112 1.00 0.00 N ATOM 616 CA HIS A 44 -1.851 -8.816 -1.181 1.00 0.00 C ATOM 617 C HIS A 44 -0.616 -8.344 -1.950 1.00 0.00 C ATOM 618 O HIS A 44 -0.403 -7.141 -2.104 1.00 0.00 O ATOM 619 CB HIS A 44 -3.031 -8.882 -2.158 1.00 0.00 C ATOM 620 CG HIS A 44 -4.409 -8.744 -1.564 1.00 0.00 C ATOM 621 ND1 HIS A 44 -5.000 -7.547 -1.250 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.314 -9.730 -1.280 1.00 0.00 C ATOM 623 CE1 HIS A 44 -6.225 -7.795 -0.780 1.00 0.00 C ATOM 624 NE2 HIS A 44 -6.471 -9.119 -0.772 1.00 0.00 N ATOM 0 H HIS A 44 -1.868 -6.922 -0.344 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.675 -9.800 -0.745 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.901 -8.096 -2.902 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -2.982 -9.834 -2.687 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -4.576 -6.625 -1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.165 -10.790 -1.422 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.922 -7.038 -0.452 1.00 0.00 H new ATOM 632 N PHE A 45 0.158 -9.282 -2.487 1.00 0.00 N ATOM 633 CA PHE A 45 1.410 -9.015 -3.193 1.00 0.00 C ATOM 634 C PHE A 45 1.376 -9.718 -4.550 1.00 0.00 C ATOM 635 O PHE A 45 1.103 -10.909 -4.629 1.00 0.00 O ATOM 636 CB PHE A 45 2.584 -9.459 -2.312 1.00 0.00 C ATOM 637 CG PHE A 45 2.890 -8.458 -1.214 1.00 0.00 C ATOM 638 CD1 PHE A 45 2.117 -8.402 -0.031 1.00 0.00 C ATOM 639 CD2 PHE A 45 3.914 -7.515 -1.423 1.00 0.00 C ATOM 640 CE1 PHE A 45 2.361 -7.393 0.911 1.00 0.00 C ATOM 641 CE2 PHE A 45 4.180 -6.536 -0.454 1.00 0.00 C ATOM 642 CZ PHE A 45 3.410 -6.490 0.714 1.00 0.00 C ATOM 0 H PHE A 45 -0.073 -10.275 -2.443 1.00 0.00 H new ATOM 0 HA PHE A 45 1.539 -7.950 -3.387 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.355 -10.426 -1.865 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.470 -9.596 -2.933 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.342 -9.133 0.146 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.497 -7.545 -2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.738 -7.313 1.790 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.975 -5.821 -0.608 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.628 -5.750 1.470 1.00 0.00 H new ATOM 652 N ILE A 46 1.568 -8.955 -5.623 1.00 0.00 N ATOM 653 CA ILE A 46 1.318 -9.383 -7.007 1.00 0.00 C ATOM 654 C ILE A 46 2.389 -10.337 -7.492 1.00 0.00 C ATOM 655 O ILE A 46 3.538 -10.333 -7.052 1.00 0.00 O ATOM 656 CB ILE A 46 1.189 -8.126 -7.899 1.00 0.00 C ATOM 657 CG1 ILE A 46 -0.062 -7.323 -7.470 1.00 0.00 C ATOM 658 CG2 ILE A 46 1.181 -8.393 -9.420 1.00 0.00 C ATOM 659 CD1 ILE A 46 -1.369 -7.859 -8.038 1.00 0.00 C ATOM 0 H ILE A 46 1.910 -7.996 -5.558 1.00 0.00 H new ATOM 0 HA ILE A 46 0.383 -9.941 -7.059 1.00 0.00 H new ATOM 0 HB ILE A 46 2.097 -7.546 -7.736 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.124 -7.322 -6.382 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.060 -6.286 -7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.087 -7.448 -9.955 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.111 -8.882 -9.708 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.339 -9.038 -9.672 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.197 -7.241 -7.690 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.330 -7.834 -9.127 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.517 -8.886 -7.704 1.00 0.00 H new ATOM 671 N TYR A 47 1.947 -11.180 -8.411 1.00 0.00 N ATOM 672 CA TYR A 47 2.439 -12.522 -8.586 1.00 0.00 C ATOM 673 C TYR A 47 2.974 -12.664 -10.013 1.00 0.00 C ATOM 674 O TYR A 47 2.199 -12.703 -10.972 1.00 0.00 O ATOM 675 CB TYR A 47 1.263 -13.458 -8.279 1.00 0.00 C ATOM 676 CG TYR A 47 0.753 -13.494 -6.847 1.00 0.00 C ATOM 677 CD1 TYR A 47 1.627 -13.822 -5.791 1.00 0.00 C ATOM 678 CD2 TYR A 47 -0.617 -13.282 -6.581 1.00 0.00 C ATOM 679 CE1 TYR A 47 1.139 -13.935 -4.475 1.00 0.00 C ATOM 680 CE2 TYR A 47 -1.108 -13.386 -5.264 1.00 0.00 C ATOM 681 CZ TYR A 47 -0.229 -13.710 -4.206 1.00 0.00 C ATOM 682 OH TYR A 47 -0.692 -13.808 -2.929 1.00 0.00 O ATOM 0 H TYR A 47 1.212 -10.933 -9.074 1.00 0.00 H new ATOM 0 HA TYR A 47 3.266 -12.771 -7.921 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.432 -13.178 -8.926 1.00 0.00 H new ATOM 0 HB3 TYR A 47 1.556 -14.470 -8.558 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.675 -13.987 -5.992 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.291 -13.039 -7.389 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.812 -14.194 -3.671 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -2.156 -13.218 -5.063 1.00 0.00 H new ATOM 0 HH TYR A 47 -1.654 -13.623 -2.915 1.00 0.00 H new ATOM 793 N SER A 54 6.256 -9.352 -7.513 1.00 0.00 N ATOM 794 CA SER A 54 6.773 -8.176 -8.224 1.00 0.00 C ATOM 795 C SER A 54 6.880 -6.987 -7.246 1.00 0.00 C ATOM 796 O SER A 54 6.463 -7.089 -6.090 1.00 0.00 O ATOM 797 CB SER A 54 5.842 -7.844 -9.399 1.00 0.00 C ATOM 798 OG SER A 54 6.467 -6.924 -10.279 1.00 0.00 O ATOM 0 HA SER A 54 7.768 -8.384 -8.619 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.586 -8.756 -9.938 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.909 -7.423 -9.025 1.00 0.00 H new ATOM 0 HG SER A 54 7.427 -6.886 -10.085 1.00 0.00 H new ATOM 804 N GLY A 55 7.359 -5.826 -7.696 1.00 0.00 N ATOM 805 CA GLY A 55 7.272 -4.548 -6.962 1.00 0.00 C ATOM 806 C GLY A 55 5.877 -3.933 -7.031 1.00 0.00 C ATOM 807 O GLY A 55 5.733 -2.733 -7.263 1.00 0.00 O ATOM 0 H GLY A 55 7.828 -5.739 -8.597 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.543 -4.712 -5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.997 -3.846 -7.373 1.00 0.00 H new ATOM 811 N GLU A 56 4.851 -4.766 -6.876 1.00 0.00 N ATOM 812 CA GLU A 56 3.444 -4.399 -6.893 1.00 0.00 C ATOM 813 C GLU A 56 2.631 -5.215 -5.881 1.00 0.00 C ATOM 814 O GLU A 56 2.932 -6.372 -5.575 1.00 0.00 O ATOM 815 CB GLU A 56 2.866 -4.562 -8.309 1.00 0.00 C ATOM 816 CG GLU A 56 3.001 -3.271 -9.132 1.00 0.00 C ATOM 817 CD GLU A 56 1.647 -2.748 -9.636 1.00 0.00 C ATOM 818 OE1 GLU A 56 0.689 -2.637 -8.839 1.00 0.00 O ATOM 819 OE2 GLU A 56 1.527 -2.387 -10.831 1.00 0.00 O ATOM 0 H GLU A 56 4.989 -5.766 -6.728 1.00 0.00 H new ATOM 0 HA GLU A 56 3.372 -3.352 -6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.381 -5.375 -8.821 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.815 -4.843 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.479 -2.504 -8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.656 -3.454 -9.984 1.00 0.00 H new ATOM 826 N ALA A 57 1.591 -4.580 -5.354 1.00 0.00 N ATOM 827 CA ALA A 57 0.775 -5.037 -4.239 1.00 0.00 C ATOM 828 C ALA A 57 -0.544 -4.246 -4.170 1.00 0.00 C ATOM 829 O ALA A 57 -0.717 -3.248 -4.865 1.00 0.00 O ATOM 830 CB ALA A 57 1.608 -4.836 -2.965 1.00 0.00 C ATOM 0 H ALA A 57 1.277 -3.679 -5.716 1.00 0.00 H new ATOM 0 HA ALA A 57 0.505 -6.086 -4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.034 -5.166 -2.099 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.527 -5.419 -3.035 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.855 -3.780 -2.855 1.00 0.00 H new ATOM 836 N PHE A 58 -1.479 -4.676 -3.325 1.00 0.00 N ATOM 837 CA PHE A 58 -2.808 -4.071 -3.135 1.00 0.00 C ATOM 838 C PHE A 58 -3.263 -4.345 -1.682 1.00 0.00 C ATOM 839 O PHE A 58 -3.022 -5.430 -1.158 1.00 0.00 O ATOM 840 CB PHE A 58 -3.790 -4.734 -4.110 1.00 0.00 C ATOM 841 CG PHE A 58 -3.681 -4.241 -5.546 1.00 0.00 C ATOM 842 CD1 PHE A 58 -2.706 -4.778 -6.412 1.00 0.00 C ATOM 843 CD2 PHE A 58 -4.511 -3.205 -6.015 1.00 0.00 C ATOM 844 CE1 PHE A 58 -2.488 -4.216 -7.682 1.00 0.00 C ATOM 845 CE2 PHE A 58 -4.385 -2.746 -7.334 1.00 0.00 C ATOM 846 CZ PHE A 58 -3.336 -3.198 -8.146 1.00 0.00 C ATOM 0 H PHE A 58 -1.331 -5.489 -2.727 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.775 -2.997 -3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.626 -5.811 -4.095 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.806 -4.562 -3.756 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.121 -5.629 -6.096 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.246 -2.763 -5.358 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.672 -4.566 -8.298 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.101 -2.039 -7.727 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.181 -2.766 -9.123 1.00 0.00 H new ATOM 856 N VAL A 59 -3.932 -3.406 -1.013 1.00 0.00 N ATOM 857 CA VAL A 59 -4.163 -3.401 0.450 1.00 0.00 C ATOM 858 C VAL A 59 -5.547 -2.833 0.787 1.00 0.00 C ATOM 859 O VAL A 59 -5.758 -1.631 0.679 1.00 0.00 O ATOM 860 CB VAL A 59 -3.099 -2.523 1.138 1.00 0.00 C ATOM 861 CG1 VAL A 59 -3.380 -2.272 2.625 1.00 0.00 C ATOM 862 CG2 VAL A 59 -1.738 -3.209 1.084 1.00 0.00 C ATOM 0 H VAL A 59 -4.345 -2.598 -1.480 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.101 -4.430 0.804 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.120 -1.576 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.591 -1.647 3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.339 -1.766 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.409 -3.224 3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.994 -2.580 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.794 -4.170 1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.452 -3.368 0.044 1.00 0.00 H new ATOM 872 N GLU A 60 -6.480 -3.671 1.227 1.00 0.00 N ATOM 873 CA GLU A 60 -7.724 -3.296 1.921 1.00 0.00 C ATOM 874 C GLU A 60 -7.423 -2.561 3.242 1.00 0.00 C ATOM 875 O GLU A 60 -7.172 -3.193 4.272 1.00 0.00 O ATOM 876 CB GLU A 60 -8.543 -4.561 2.241 1.00 0.00 C ATOM 877 CG GLU A 60 -9.148 -5.279 1.031 1.00 0.00 C ATOM 878 CD GLU A 60 -10.480 -4.654 0.594 1.00 0.00 C ATOM 879 OE1 GLU A 60 -10.714 -3.459 0.874 1.00 0.00 O ATOM 880 OE2 GLU A 60 -11.301 -5.378 -0.014 1.00 0.00 O ATOM 0 H GLU A 60 -6.393 -4.680 1.108 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.287 -2.633 1.264 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.902 -5.263 2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.350 -4.288 2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.443 -5.246 0.201 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.304 -6.330 1.275 1.00 0.00 H new ATOM 887 N LEU A 61 -7.421 -1.227 3.228 1.00 0.00 N ATOM 888 CA LEU A 61 -7.223 -0.428 4.448 1.00 0.00 C ATOM 889 C LEU A 61 -8.391 -0.544 5.445 1.00 0.00 C ATOM 890 O LEU A 61 -9.431 -1.133 5.163 1.00 0.00 O ATOM 891 CB LEU A 61 -6.880 1.038 4.132 1.00 0.00 C ATOM 892 CG LEU A 61 -5.449 1.209 3.642 1.00 0.00 C ATOM 893 CD1 LEU A 61 -5.159 2.380 2.759 1.00 0.00 C ATOM 894 CD2 LEU A 61 -4.394 1.182 4.744 1.00 0.00 C ATOM 0 H LEU A 61 -7.555 -0.671 2.383 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.357 -0.861 4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.568 1.413 3.374 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.029 1.644 5.026 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.374 0.316 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.104 2.378 2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -5.767 2.315 1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.395 3.303 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.405 1.311 4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.585 1.990 5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.437 0.226 5.266 1.00 0.00 H new ATOM 906 N GLY A 62 -8.208 0.011 6.643 1.00 0.00 N ATOM 907 CA GLY A 62 -9.127 -0.126 7.774 1.00 0.00 C ATOM 908 C GLY A 62 -10.242 0.927 7.846 1.00 0.00 C ATOM 909 O GLY A 62 -11.184 0.774 8.625 1.00 0.00 O ATOM 0 H GLY A 62 -7.393 0.585 6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.585 -1.114 7.731 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.549 -0.083 8.697 1.00 0.00 H new ATOM 913 N SER A 63 -10.189 1.930 6.968 1.00 0.00 N ATOM 914 CA SER A 63 -11.276 2.845 6.605 1.00 0.00 C ATOM 915 C SER A 63 -10.924 3.552 5.288 1.00 0.00 C ATOM 916 O SER A 63 -9.786 3.463 4.827 1.00 0.00 O ATOM 917 CB SER A 63 -11.504 3.869 7.722 1.00 0.00 C ATOM 918 OG SER A 63 -10.439 4.793 7.810 1.00 0.00 O ATOM 0 H SER A 63 -9.331 2.140 6.458 1.00 0.00 H new ATOM 0 HA SER A 63 -12.198 2.279 6.472 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.436 4.404 7.540 1.00 0.00 H new ATOM 0 HB3 SER A 63 -11.615 3.350 8.674 1.00 0.00 H new ATOM 0 HG SER A 63 -9.668 4.364 8.235 1.00 0.00 H new ATOM 924 N GLU A 64 -11.840 4.296 4.667 1.00 0.00 N ATOM 925 CA GLU A 64 -11.476 5.133 3.510 1.00 0.00 C ATOM 926 C GLU A 64 -10.648 6.365 3.908 1.00 0.00 C ATOM 927 O GLU A 64 -9.885 6.880 3.099 1.00 0.00 O ATOM 928 CB GLU A 64 -12.719 5.530 2.721 1.00 0.00 C ATOM 929 CG GLU A 64 -12.372 5.829 1.250 1.00 0.00 C ATOM 930 CD GLU A 64 -12.479 7.320 0.879 1.00 0.00 C ATOM 931 OE1 GLU A 64 -13.240 8.083 1.519 1.00 0.00 O ATOM 932 OE2 GLU A 64 -11.840 7.737 -0.114 1.00 0.00 O ATOM 0 H GLU A 64 -12.823 4.341 4.935 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.836 4.529 2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.455 4.727 2.768 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -13.176 6.409 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -11.357 5.485 1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.037 5.255 0.605 1.00 0.00 H new ATOM 939 N ASP A 65 -10.712 6.825 5.160 1.00 0.00 N ATOM 940 CA ASP A 65 -9.773 7.818 5.662 1.00 0.00 C ATOM 941 C ASP A 65 -8.353 7.242 5.795 1.00 0.00 C ATOM 942 O ASP A 65 -7.389 7.945 5.509 1.00 0.00 O ATOM 943 CB ASP A 65 -10.315 8.368 6.978 1.00 0.00 C ATOM 944 CG ASP A 65 -11.593 9.201 6.763 1.00 0.00 C ATOM 945 OD1 ASP A 65 -11.648 10.015 5.809 1.00 0.00 O ATOM 946 OD2 ASP A 65 -12.558 9.041 7.548 1.00 0.00 O ATOM 0 H ASP A 65 -11.407 6.522 5.842 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.682 8.638 4.950 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.528 7.543 7.657 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.554 8.985 7.456 1.00 0.00 H new ATOM 951 N ASP A 66 -8.208 5.947 6.101 1.00 0.00 N ATOM 952 CA ASP A 66 -6.972 5.187 5.858 1.00 0.00 C ATOM 953 C ASP A 66 -6.572 5.206 4.389 1.00 0.00 C ATOM 954 O ASP A 66 -5.420 5.533 4.111 1.00 0.00 O ATOM 955 CB ASP A 66 -7.002 3.808 6.502 1.00 0.00 C ATOM 956 CG ASP A 66 -7.105 3.946 8.026 1.00 0.00 C ATOM 957 OD1 ASP A 66 -6.112 4.381 8.658 1.00 0.00 O ATOM 958 OD2 ASP A 66 -8.182 3.641 8.588 1.00 0.00 O ATOM 0 H ASP A 66 -8.950 5.391 6.527 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.159 5.700 6.371 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.849 3.238 6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.101 3.254 6.238 1.00 0.00 H new ATOM 963 N VAL A 67 -7.487 4.985 3.436 1.00 0.00 N ATOM 964 CA VAL A 67 -7.148 5.080 2.010 1.00 0.00 C ATOM 965 C VAL A 67 -6.485 6.411 1.671 1.00 0.00 C ATOM 966 O VAL A 67 -5.370 6.429 1.162 1.00 0.00 O ATOM 967 CB VAL A 67 -8.323 4.754 1.072 1.00 0.00 C ATOM 968 CG1 VAL A 67 -9.039 3.467 1.446 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.006 5.828 0.210 1.00 0.00 C ATOM 0 H VAL A 67 -8.459 4.741 3.624 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.412 4.297 1.828 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.833 4.549 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.858 3.290 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.337 2.634 1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.436 3.552 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.808 5.372 -0.371 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.421 6.603 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.275 6.272 -0.466 1.00 0.00 H new ATOM 979 N LYS A 68 -7.112 7.517 2.073 1.00 0.00 N ATOM 980 CA LYS A 68 -6.578 8.889 2.068 1.00 0.00 C ATOM 981 C LYS A 68 -5.226 9.058 2.778 1.00 0.00 C ATOM 982 O LYS A 68 -4.323 9.674 2.215 1.00 0.00 O ATOM 983 CB LYS A 68 -7.644 9.781 2.712 1.00 0.00 C ATOM 984 CG LYS A 68 -8.479 10.552 1.682 1.00 0.00 C ATOM 985 CD LYS A 68 -9.802 11.002 2.313 1.00 0.00 C ATOM 986 CE LYS A 68 -10.815 9.861 2.236 1.00 0.00 C ATOM 987 NZ LYS A 68 -12.052 10.130 3.005 1.00 0.00 N ATOM 0 H LYS A 68 -8.065 7.482 2.434 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.370 9.168 1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.306 9.165 3.321 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.160 10.490 3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.923 11.419 1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.676 9.921 0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.642 11.292 3.352 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.186 11.880 1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.074 9.683 1.192 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.353 8.947 2.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.787 9.447 2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -11.855 10.038 4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.384 11.095 2.803 1.00 0.00 H new ATOM 1001 N MET A 69 -5.049 8.502 3.978 1.00 0.00 N ATOM 1002 CA MET A 69 -3.772 8.509 4.716 1.00 0.00 C ATOM 1003 C MET A 69 -2.654 7.711 4.039 1.00 0.00 C ATOM 1004 O MET A 69 -1.474 7.926 4.313 1.00 0.00 O ATOM 1005 CB MET A 69 -3.976 7.984 6.137 1.00 0.00 C ATOM 1006 CG MET A 69 -4.755 8.993 6.978 1.00 0.00 C ATOM 1007 SD MET A 69 -4.026 9.364 8.595 1.00 0.00 S ATOM 1008 CE MET A 69 -4.264 7.739 9.365 1.00 0.00 C ATOM 0 H MET A 69 -5.799 8.024 4.478 1.00 0.00 H new ATOM 0 HA MET A 69 -3.450 9.550 4.731 1.00 0.00 H new ATOM 0 HB2 MET A 69 -4.514 7.036 6.106 1.00 0.00 H new ATOM 0 HB3 MET A 69 -3.009 7.787 6.600 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.844 9.922 6.414 1.00 0.00 H new ATOM 0 HG3 MET A 69 -5.766 8.614 7.130 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.907 7.768 10.395 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.324 7.483 9.355 1.00 0.00 H new ATOM 0 HE3 MET A 69 -3.704 6.987 8.808 1.00 0.00 H new ATOM 1018 N ALA A 70 -3.028 6.830 3.124 1.00 0.00 N ATOM 1019 CA ALA A 70 -2.129 6.164 2.190 1.00 0.00 C ATOM 1020 C ALA A 70 -1.944 6.960 0.873 1.00 0.00 C ATOM 1021 O ALA A 70 -0.820 7.066 0.384 1.00 0.00 O ATOM 1022 CB ALA A 70 -2.612 4.719 2.003 1.00 0.00 C ATOM 0 H ALA A 70 -4.001 6.548 3.006 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.120 6.128 2.601 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.952 4.202 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.601 4.204 2.964 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.627 4.723 1.606 1.00 0.00 H new ATOM 1028 N LEU A 71 -2.980 7.625 0.338 1.00 0.00 N ATOM 1029 CA LEU A 71 -2.881 8.523 -0.825 1.00 0.00 C ATOM 1030 C LEU A 71 -2.010 9.762 -0.568 1.00 0.00 C ATOM 1031 O LEU A 71 -1.351 10.244 -1.487 1.00 0.00 O ATOM 1032 CB LEU A 71 -4.259 9.021 -1.295 1.00 0.00 C ATOM 1033 CG LEU A 71 -5.328 7.988 -1.689 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -6.364 8.659 -2.583 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.800 6.740 -2.391 1.00 0.00 C ATOM 0 H LEU A 71 -3.928 7.553 0.708 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.414 7.908 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.675 9.639 -0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.098 9.673 -2.154 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.757 7.638 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.125 7.932 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.831 9.483 -2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.877 9.043 -3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.632 6.076 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.293 7.028 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.098 6.224 -1.736 1.00 0.00 H new ATOM 1047 N LYS A 72 -1.946 10.270 0.670 1.00 0.00 N ATOM 1048 CA LYS A 72 -1.013 11.350 1.046 1.00 0.00 C ATOM 1049 C LYS A 72 0.465 10.990 0.783 1.00 0.00 C ATOM 1050 O LYS A 72 1.311 11.876 0.663 1.00 0.00 O ATOM 1051 CB LYS A 72 -1.305 11.853 2.470 1.00 0.00 C ATOM 1052 CG LYS A 72 -0.531 11.005 3.462 1.00 0.00 C ATOM 1053 CD LYS A 72 -0.815 11.221 4.953 1.00 0.00 C ATOM 1054 CE LYS A 72 0.148 10.325 5.747 1.00 0.00 C ATOM 1055 NZ LYS A 72 -0.081 10.375 7.213 1.00 0.00 N ATOM 0 H LYS A 72 -2.535 9.948 1.438 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.193 12.196 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.018 12.900 2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.373 11.795 2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.724 9.957 3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.532 11.177 3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.673 12.268 5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.850 10.970 5.185 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.042 9.296 5.404 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.174 10.628 5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.671 9.846 7.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.071 11.365 7.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.004 9.949 7.435 1.00 0.00 H new ATOM 1069 N LYS A 73 0.757 9.685 0.688 1.00 0.00 N ATOM 1070 CA LYS A 73 2.081 9.078 0.492 1.00 0.00 C ATOM 1071 C LYS A 73 2.302 8.601 -0.940 1.00 0.00 C ATOM 1072 O LYS A 73 3.302 7.937 -1.194 1.00 0.00 O ATOM 1073 CB LYS A 73 2.276 7.902 1.475 1.00 0.00 C ATOM 1074 CG LYS A 73 1.945 8.192 2.950 1.00 0.00 C ATOM 1075 CD LYS A 73 3.157 8.208 3.881 1.00 0.00 C ATOM 1076 CE LYS A 73 3.760 6.812 4.021 1.00 0.00 C ATOM 1077 NZ LYS A 73 4.876 6.827 4.985 1.00 0.00 N ATOM 0 H LYS A 73 0.025 8.978 0.750 1.00 0.00 H new ATOM 0 HA LYS A 73 2.820 9.854 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.657 7.069 1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.313 7.572 1.414 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.442 9.157 3.013 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.240 7.441 3.305 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.909 8.895 3.493 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.861 8.580 4.862 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.995 6.110 4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.114 6.463 3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.142 5.850 5.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.692 7.315 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.582 7.326 5.849 1.00 0.00 H new ATOM 1091 N ASP A 74 1.395 8.922 -1.866 1.00 0.00 N ATOM 1092 CA ASP A 74 1.304 8.324 -3.207 1.00 0.00 C ATOM 1093 C ASP A 74 2.521 8.356 -4.156 1.00 0.00 C ATOM 1094 O ASP A 74 2.410 7.865 -5.280 1.00 0.00 O ATOM 1095 CB ASP A 74 0.052 8.826 -3.950 1.00 0.00 C ATOM 1096 CG ASP A 74 0.125 10.276 -4.461 1.00 0.00 C ATOM 1097 OD1 ASP A 74 0.829 11.128 -3.869 1.00 0.00 O ATOM 1098 OD2 ASP A 74 -0.480 10.559 -5.524 1.00 0.00 O ATOM 0 H ASP A 74 0.678 9.629 -1.701 1.00 0.00 H new ATOM 0 HA ASP A 74 1.252 7.267 -2.946 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.134 8.168 -4.799 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.806 8.736 -3.283 1.00 0.00 H new ATOM 1103 N ARG A 75 3.670 8.885 -3.737 1.00 0.00 N ATOM 1104 CA ARG A 75 4.942 8.916 -4.464 1.00 0.00 C ATOM 1105 C ARG A 75 6.186 8.803 -3.570 1.00 0.00 C ATOM 1106 O ARG A 75 7.299 9.002 -4.059 1.00 0.00 O ATOM 1107 CB ARG A 75 4.963 10.257 -5.224 1.00 0.00 C ATOM 1108 CG ARG A 75 5.492 10.162 -6.654 1.00 0.00 C ATOM 1109 CD ARG A 75 4.416 9.792 -7.688 1.00 0.00 C ATOM 1110 NE ARG A 75 3.385 10.848 -7.802 1.00 0.00 N ATOM 1111 CZ ARG A 75 2.100 10.745 -7.507 1.00 0.00 C ATOM 1112 NH1 ARG A 75 1.511 9.621 -7.246 1.00 0.00 N ATOM 1113 NH2 ARG A 75 1.342 11.795 -7.418 1.00 0.00 N ATOM 0 H ARG A 75 3.744 9.332 -2.823 1.00 0.00 H new ATOM 0 HA ARG A 75 4.992 8.047 -5.120 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.952 10.662 -5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.577 10.966 -4.669 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.937 11.118 -6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.288 9.418 -6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.884 9.633 -8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.945 8.851 -7.403 1.00 0.00 H new ATOM 0 HE ARG A 75 3.700 11.755 -8.146 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.043 8.751 -7.261 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.515 9.606 -7.025 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.735 12.723 -7.577 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.353 11.692 -7.189 1.00 0.00 H new ATOM 1127 N GLU A 76 6.020 8.543 -2.273 1.00 0.00 N ATOM 1128 CA GLU A 76 7.104 8.580 -1.283 1.00 0.00 C ATOM 1129 C GLU A 76 7.755 7.187 -1.111 1.00 0.00 C ATOM 1130 O GLU A 76 7.581 6.330 -1.975 1.00 0.00 O ATOM 1131 CB GLU A 76 6.654 9.413 -0.070 1.00 0.00 C ATOM 1132 CG GLU A 76 6.112 8.720 1.168 1.00 0.00 C ATOM 1133 CD GLU A 76 7.110 8.606 2.342 1.00 0.00 C ATOM 1134 OE1 GLU A 76 8.336 8.774 2.134 1.00 0.00 O ATOM 1135 OE2 GLU A 76 6.659 8.363 3.488 1.00 0.00 O ATOM 0 H GLU A 76 5.115 8.297 -1.871 1.00 0.00 H new ATOM 0 HA GLU A 76 7.984 9.135 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.506 10.016 0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 76 5.885 10.103 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.230 9.260 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.784 7.718 0.891 1.00 0.00 H new ATOM 1142 N SER A 77 8.564 6.936 -0.084 1.00 0.00 N ATOM 1143 CA SER A 77 9.393 5.722 0.063 1.00 0.00 C ATOM 1144 C SER A 77 9.302 5.053 1.439 1.00 0.00 C ATOM 1145 O SER A 77 8.989 5.676 2.453 1.00 0.00 O ATOM 1146 CB SER A 77 10.866 6.021 -0.266 1.00 0.00 C ATOM 1147 OG SER A 77 11.524 6.685 0.801 1.00 0.00 O ATOM 0 H SER A 77 8.670 7.585 0.696 1.00 0.00 H new ATOM 0 HA SER A 77 8.980 5.012 -0.653 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.385 5.088 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.919 6.636 -1.164 1.00 0.00 H new ATOM 0 HG SER A 77 12.457 6.856 0.554 1.00 0.00 H new ATOM 1194 N ARG A 81 13.131 2.307 -0.990 1.00 0.00 N ATOM 1195 CA ARG A 81 12.452 2.154 -2.293 1.00 0.00 C ATOM 1196 C ARG A 81 11.124 2.879 -2.319 1.00 0.00 C ATOM 1197 O ARG A 81 10.504 3.084 -1.276 1.00 0.00 O ATOM 1198 CB ARG A 81 12.138 0.678 -2.552 1.00 0.00 C ATOM 1199 CG ARG A 81 12.564 0.181 -3.940 1.00 0.00 C ATOM 1200 CD ARG A 81 13.959 -0.454 -3.987 1.00 0.00 C ATOM 1201 NE ARG A 81 15.030 0.467 -3.570 1.00 0.00 N ATOM 1202 CZ ARG A 81 16.309 0.173 -3.433 1.00 0.00 C ATOM 1203 NH1 ARG A 81 16.800 -0.994 -3.738 1.00 0.00 N ATOM 1204 NH2 ARG A 81 17.114 1.069 -2.959 1.00 0.00 N ATOM 0 HA ARG A 81 13.125 2.566 -3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 81 12.635 0.073 -1.793 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.066 0.520 -2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.834 -0.549 -4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 81 12.536 1.019 -4.636 1.00 0.00 H new ATOM 0 HD2 ARG A 81 13.973 -1.333 -3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 81 14.160 -0.799 -5.001 1.00 0.00 H new ATOM 0 HE ARG A 81 14.756 1.428 -3.367 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.188 -1.726 -4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.796 -1.176 -3.615 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.757 1.988 -2.697 1.00 0.00 H new ATOM 0 HH22 ARG A 81 18.105 0.856 -2.847 1.00 0.00 H new ATOM 1218 N TYR A 82 10.671 3.188 -3.526 1.00 0.00 N ATOM 1219 CA TYR A 82 9.492 4.020 -3.723 1.00 0.00 C ATOM 1220 C TYR A 82 8.188 3.228 -3.768 1.00 0.00 C ATOM 1221 O TYR A 82 8.089 2.100 -4.268 1.00 0.00 O ATOM 1222 CB TYR A 82 9.647 4.959 -4.927 1.00 0.00 C ATOM 1223 CG TYR A 82 10.701 6.019 -4.674 1.00 0.00 C ATOM 1224 CD1 TYR A 82 10.340 7.207 -4.009 1.00 0.00 C ATOM 1225 CD2 TYR A 82 12.048 5.794 -5.024 1.00 0.00 C ATOM 1226 CE1 TYR A 82 11.316 8.167 -3.686 1.00 0.00 C ATOM 1227 CE2 TYR A 82 13.030 6.750 -4.700 1.00 0.00 C ATOM 1228 CZ TYR A 82 12.668 7.939 -4.028 1.00 0.00 C ATOM 1229 OH TYR A 82 13.624 8.855 -3.711 1.00 0.00 O ATOM 0 H TYR A 82 11.107 2.871 -4.392 1.00 0.00 H new ATOM 0 HA TYR A 82 9.418 4.646 -2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.917 4.379 -5.809 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.692 5.438 -5.141 1.00 0.00 H new ATOM 0 HD1 TYR A 82 9.307 7.382 -3.745 1.00 0.00 H new ATOM 0 HD2 TYR A 82 12.327 4.888 -5.541 1.00 0.00 H new ATOM 0 HE1 TYR A 82 11.033 9.077 -3.178 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.062 6.574 -4.966 1.00 0.00 H new ATOM 0 HH TYR A 82 14.498 8.536 -4.020 1.00 0.00 H new ATOM 1239 N ILE A 83 7.169 3.861 -3.212 1.00 0.00 N ATOM 1240 CA ILE A 83 5.884 3.250 -2.938 1.00 0.00 C ATOM 1241 C ILE A 83 4.796 4.211 -3.413 1.00 0.00 C ATOM 1242 O ILE A 83 4.231 4.994 -2.649 1.00 0.00 O ATOM 1243 CB ILE A 83 5.778 2.905 -1.441 1.00 0.00 C ATOM 1244 CG1 ILE A 83 7.003 2.225 -0.798 1.00 0.00 C ATOM 1245 CG2 ILE A 83 4.521 2.062 -1.231 1.00 0.00 C ATOM 1246 CD1 ILE A 83 7.285 0.810 -1.286 1.00 0.00 C ATOM 0 H ILE A 83 7.216 4.841 -2.932 1.00 0.00 H new ATOM 0 HA ILE A 83 5.764 2.309 -3.475 1.00 0.00 H new ATOM 0 HB ILE A 83 5.727 3.862 -0.921 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.882 2.840 -0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.860 2.199 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 83 4.427 1.806 -0.176 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.645 2.629 -1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 83 4.593 1.148 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 83 8.165 0.418 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 83 6.427 0.173 -1.071 1.00 0.00 H new ATOM 0 HD13 ILE A 83 7.466 0.825 -2.361 1.00 0.00 H new ATOM 1258 N GLU A 84 4.530 4.193 -4.720 1.00 0.00 N ATOM 1259 CA GLU A 84 3.315 4.811 -5.233 1.00 0.00 C ATOM 1260 C GLU A 84 2.091 4.126 -4.620 1.00 0.00 C ATOM 1261 O GLU A 84 2.029 2.897 -4.557 1.00 0.00 O ATOM 1262 CB GLU A 84 3.237 4.752 -6.766 1.00 0.00 C ATOM 1263 CG GLU A 84 4.226 5.702 -7.443 1.00 0.00 C ATOM 1264 CD GLU A 84 4.260 5.470 -8.961 1.00 0.00 C ATOM 1265 OE1 GLU A 84 3.308 5.860 -9.676 1.00 0.00 O ATOM 1266 OE2 GLU A 84 5.213 4.831 -9.461 1.00 0.00 O ATOM 0 H GLU A 84 5.128 3.766 -5.427 1.00 0.00 H new ATOM 0 HA GLU A 84 3.334 5.863 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.434 3.732 -7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.225 5.000 -7.084 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.944 6.734 -7.235 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.222 5.553 -7.026 1.00 0.00 H new ATOM 1273 N VAL A 85 1.105 4.924 -4.210 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.166 4.430 -3.647 1.00 0.00 C ATOM 1275 C VAL A 85 -1.321 4.999 -4.441 1.00 0.00 C ATOM 1276 O VAL A 85 -1.580 6.201 -4.434 1.00 0.00 O ATOM 1277 CB VAL A 85 -0.398 4.746 -2.158 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -1.558 3.866 -1.666 1.00 0.00 C ATOM 1279 CG2 VAL A 85 0.823 4.473 -1.288 1.00 0.00 C ATOM 0 H VAL A 85 1.160 5.941 -4.257 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.104 3.344 -3.719 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.617 5.810 -2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.746 4.068 -0.612 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.455 4.089 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.297 2.815 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.593 4.716 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.094 3.420 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.657 5.087 -1.628 1.00 0.00 H new ATOM 1289 N PHE A 86 -2.041 4.112 -5.104 1.00 0.00 N ATOM 1290 CA PHE A 86 -3.253 4.449 -5.828 1.00 0.00 C ATOM 1291 C PHE A 86 -4.457 3.957 -5.056 1.00 0.00 C ATOM 1292 O PHE A 86 -4.418 2.933 -4.381 1.00 0.00 O ATOM 1293 CB PHE A 86 -3.158 3.786 -7.192 1.00 0.00 C ATOM 1294 CG PHE A 86 -2.191 4.458 -8.143 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -2.609 5.535 -8.945 1.00 0.00 C ATOM 1296 CD2 PHE A 86 -0.848 4.033 -8.177 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -1.680 6.190 -9.775 1.00 0.00 C ATOM 1298 CE2 PHE A 86 0.077 4.691 -9.002 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.338 5.773 -9.800 1.00 0.00 C ATOM 0 H PHE A 86 -1.796 3.123 -5.155 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.363 5.527 -5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.856 2.747 -7.058 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.148 3.774 -7.647 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.639 5.858 -8.924 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -0.530 3.200 -7.567 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.999 7.015 -10.394 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.107 4.367 -9.024 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.374 6.283 -10.432 1.00 0.00 H new ATOM 1309 N LYS A 87 -5.561 4.666 -5.212 1.00 0.00 N ATOM 1310 CA LYS A 87 -6.877 4.181 -4.829 1.00 0.00 C ATOM 1311 C LYS A 87 -7.227 2.986 -5.712 1.00 0.00 C ATOM 1312 O LYS A 87 -6.804 2.904 -6.865 1.00 0.00 O ATOM 1313 CB LYS A 87 -7.875 5.327 -4.970 1.00 0.00 C ATOM 1314 CG LYS A 87 -9.258 4.893 -4.484 1.00 0.00 C ATOM 1315 CD LYS A 87 -10.250 6.052 -4.443 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.980 6.931 -3.220 1.00 0.00 C ATOM 1317 NZ LYS A 87 -11.238 7.502 -2.703 1.00 0.00 N ATOM 0 H LYS A 87 -5.570 5.604 -5.612 1.00 0.00 H new ATOM 0 HA LYS A 87 -6.901 3.846 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.534 6.187 -4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.931 5.642 -6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.642 4.112 -5.140 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.170 4.458 -3.488 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.166 6.646 -5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.269 5.668 -4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.495 6.342 -2.442 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.293 7.734 -3.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.164 7.629 -1.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.412 8.423 -3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.026 6.857 -2.917 1.00 0.00 H new ATOM 1331 N SER A 88 -7.981 2.057 -5.150 1.00 0.00 N ATOM 1332 CA SER A 88 -8.314 0.787 -5.765 1.00 0.00 C ATOM 1333 C SER A 88 -9.686 0.336 -5.267 1.00 0.00 C ATOM 1334 O SER A 88 -10.256 0.939 -4.353 1.00 0.00 O ATOM 1335 CB SER A 88 -7.198 -0.182 -5.393 1.00 0.00 C ATOM 1336 OG SER A 88 -7.378 -1.467 -5.943 1.00 0.00 O ATOM 0 H SER A 88 -8.391 2.171 -4.223 1.00 0.00 H new ATOM 0 HA SER A 88 -8.384 0.847 -6.851 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.245 0.223 -5.733 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.141 -0.262 -4.307 1.00 0.00 H new ATOM 0 HG SER A 88 -7.215 -1.435 -6.909 1.00 0.00 H new ATOM 1342 N HIS A 89 -10.214 -0.735 -5.848 1.00 0.00 N ATOM 1343 CA HIS A 89 -11.440 -1.373 -5.386 1.00 0.00 C ATOM 1344 C HIS A 89 -11.280 -2.895 -5.385 1.00 0.00 C ATOM 1345 O HIS A 89 -10.474 -3.430 -6.146 1.00 0.00 O ATOM 1346 CB HIS A 89 -12.620 -0.926 -6.272 1.00 0.00 C ATOM 1347 CG HIS A 89 -13.019 0.518 -6.074 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -13.655 1.052 -4.975 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -12.832 1.546 -6.958 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -13.839 2.365 -5.186 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -13.357 2.718 -6.392 1.00 0.00 N ATOM 0 H HIS A 89 -9.798 -1.189 -6.661 1.00 0.00 H new ATOM 0 HA HIS A 89 -11.648 -1.066 -4.361 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -12.355 -1.080 -7.318 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -13.480 -1.563 -6.064 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.361 1.468 -7.927 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -14.307 3.042 -4.487 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.371 3.648 -6.810 1.00 0.00 H new ATOM 1359 N ARG A 90 -12.070 -3.608 -4.574 1.00 0.00 N ATOM 1360 CA ARG A 90 -12.092 -5.080 -4.490 1.00 0.00 C ATOM 1361 C ARG A 90 -12.216 -5.732 -5.870 1.00 0.00 C ATOM 1362 O ARG A 90 -11.481 -6.667 -6.162 1.00 0.00 O ATOM 1363 CB ARG A 90 -13.226 -5.499 -3.531 1.00 0.00 C ATOM 1364 CG ARG A 90 -13.520 -7.010 -3.450 1.00 0.00 C ATOM 1365 CD ARG A 90 -12.350 -7.890 -2.986 1.00 0.00 C ATOM 1366 NE ARG A 90 -11.987 -7.625 -1.580 1.00 0.00 N ATOM 1367 CZ ARG A 90 -11.849 -8.492 -0.595 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -11.942 -9.782 -0.749 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -11.608 -8.036 0.596 1.00 0.00 N ATOM 0 H ARG A 90 -12.733 -3.167 -3.937 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.143 -5.437 -4.091 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -12.979 -5.143 -2.531 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -14.139 -4.987 -3.835 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -14.358 -7.163 -2.770 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -13.841 -7.353 -4.434 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.618 -8.940 -3.100 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.485 -7.711 -3.624 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.822 -6.648 -1.339 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.132 -10.173 -1.672 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.825 -10.401 0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.530 -7.031 0.751 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.497 -8.683 1.377 1.00 0.00 H new ATOM 1383 N THR A 91 -13.084 -5.206 -6.735 1.00 0.00 N ATOM 1384 CA THR A 91 -13.290 -5.687 -8.115 1.00 0.00 C ATOM 1385 C THR A 91 -12.043 -5.523 -8.995 1.00 0.00 C ATOM 1386 O THR A 91 -11.660 -6.443 -9.716 1.00 0.00 O ATOM 1387 CB THR A 91 -14.466 -4.928 -8.753 1.00 0.00 C ATOM 1388 OG1 THR A 91 -15.602 -5.020 -7.915 1.00 0.00 O ATOM 1389 CG2 THR A 91 -14.863 -5.472 -10.124 1.00 0.00 C ATOM 0 H THR A 91 -13.681 -4.414 -6.496 1.00 0.00 H new ATOM 0 HA THR A 91 -13.506 -6.754 -8.054 1.00 0.00 H new ATOM 0 HB THR A 91 -14.130 -3.898 -8.876 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.349 -4.534 -8.323 1.00 0.00 H new ATOM 0 HG21 THR A 91 -15.698 -4.892 -10.518 1.00 0.00 H new ATOM 0 HG22 THR A 91 -14.015 -5.396 -10.805 1.00 0.00 H new ATOM 0 HG23 THR A 91 -15.160 -6.517 -10.029 1.00 0.00 H new ATOM 1397 N GLU A 92 -11.385 -4.362 -8.931 1.00 0.00 N ATOM 1398 CA GLU A 92 -10.170 -4.056 -9.699 1.00 0.00 C ATOM 1399 C GLU A 92 -8.967 -4.865 -9.187 1.00 0.00 C ATOM 1400 O GLU A 92 -8.269 -5.514 -9.962 1.00 0.00 O ATOM 1401 CB GLU A 92 -9.945 -2.535 -9.631 1.00 0.00 C ATOM 1402 CG GLU A 92 -8.779 -1.994 -10.476 1.00 0.00 C ATOM 1403 CD GLU A 92 -7.465 -1.801 -9.696 1.00 0.00 C ATOM 1404 OE1 GLU A 92 -7.492 -1.315 -8.546 1.00 0.00 O ATOM 1405 OE2 GLU A 92 -6.382 -2.071 -10.279 1.00 0.00 O ATOM 0 H GLU A 92 -11.686 -3.592 -8.333 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.288 -4.350 -10.742 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -10.861 -2.036 -9.948 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.775 -2.258 -8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.598 -2.679 -11.305 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -9.073 -1.039 -10.910 1.00 0.00 H new ATOM 1412 N MET A 93 -8.788 -4.929 -7.870 1.00 0.00 N ATOM 1413 CA MET A 93 -7.813 -5.778 -7.196 1.00 0.00 C ATOM 1414 C MET A 93 -7.971 -7.270 -7.541 1.00 0.00 C ATOM 1415 O MET A 93 -7.009 -7.979 -7.823 1.00 0.00 O ATOM 1416 CB MET A 93 -7.998 -5.562 -5.694 1.00 0.00 C ATOM 1417 CG MET A 93 -6.906 -6.280 -4.915 1.00 0.00 C ATOM 1418 SD MET A 93 -7.394 -7.891 -4.240 1.00 0.00 S ATOM 1419 CE MET A 93 -8.591 -7.317 -3.012 1.00 0.00 C ATOM 0 H MET A 93 -9.340 -4.369 -7.220 1.00 0.00 H new ATOM 0 HA MET A 93 -6.812 -5.503 -7.528 1.00 0.00 H new ATOM 0 HB2 MET A 93 -7.973 -4.496 -5.468 1.00 0.00 H new ATOM 0 HB3 MET A 93 -8.976 -5.931 -5.385 1.00 0.00 H new ATOM 0 HG2 MET A 93 -6.045 -6.420 -5.568 1.00 0.00 H new ATOM 0 HG3 MET A 93 -6.583 -5.640 -4.094 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.863 -8.143 -2.355 1.00 0.00 H new ATOM 0 HE2 MET A 93 -8.150 -6.514 -2.422 1.00 0.00 H new ATOM 0 HE3 MET A 93 -9.483 -6.948 -3.518 1.00 0.00 H new ATOM 1429 N ASP A 94 -9.204 -7.765 -7.566 1.00 0.00 N ATOM 1430 CA ASP A 94 -9.486 -9.163 -7.894 1.00 0.00 C ATOM 1431 C ASP A 94 -9.038 -9.509 -9.323 1.00 0.00 C ATOM 1432 O ASP A 94 -8.474 -10.573 -9.570 1.00 0.00 O ATOM 1433 CB ASP A 94 -10.984 -9.422 -7.721 1.00 0.00 C ATOM 1434 CG ASP A 94 -11.350 -10.889 -7.962 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -10.993 -11.754 -7.130 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -11.992 -11.202 -8.991 1.00 0.00 O ATOM 0 H ASP A 94 -10.036 -7.212 -7.360 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.921 -9.804 -7.217 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -11.287 -9.135 -6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -11.542 -8.792 -8.413 1.00 0.00 H new ATOM 1441 N TRP A 95 -9.226 -8.567 -10.247 1.00 0.00 N ATOM 1442 CA TRP A 95 -8.730 -8.623 -11.621 1.00 0.00 C ATOM 1443 C TRP A 95 -7.201 -8.718 -11.640 1.00 0.00 C ATOM 1444 O TRP A 95 -6.657 -9.654 -12.232 1.00 0.00 O ATOM 1445 CB TRP A 95 -9.296 -7.421 -12.412 1.00 0.00 C ATOM 1446 CG TRP A 95 -8.383 -6.569 -13.256 1.00 0.00 C ATOM 1447 CD1 TRP A 95 -8.263 -5.227 -13.137 1.00 0.00 C ATOM 1448 CD2 TRP A 95 -7.507 -6.934 -14.371 1.00 0.00 C ATOM 1449 NE1 TRP A 95 -7.365 -4.741 -14.065 1.00 0.00 N ATOM 1450 CE2 TRP A 95 -6.861 -5.752 -14.850 1.00 0.00 C ATOM 1451 CE3 TRP A 95 -7.194 -8.139 -15.035 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 -5.934 -5.767 -15.903 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 -6.301 -8.158 -16.124 1.00 0.00 C ATOM 1454 CH2 TRP A 95 -5.653 -6.984 -16.545 1.00 0.00 C ATOM 0 H TRP A 95 -9.747 -7.712 -10.051 1.00 0.00 H new ATOM 0 HA TRP A 95 -9.081 -9.527 -12.120 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -10.077 -7.805 -13.068 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -9.780 -6.761 -11.693 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -8.795 -4.622 -12.418 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.108 -3.758 -14.157 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -7.646 -9.062 -14.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -5.444 -4.857 -16.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -6.112 -9.087 -16.642 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -4.943 -7.018 -17.358 1.00 0.00 H new ATOM 1465 N VAL A 96 -6.489 -7.805 -10.967 1.00 0.00 N ATOM 1466 CA VAL A 96 -5.039 -7.686 -11.172 1.00 0.00 C ATOM 1467 C VAL A 96 -4.209 -8.796 -10.513 1.00 0.00 C ATOM 1468 O VAL A 96 -3.136 -9.131 -11.015 1.00 0.00 O ATOM 1469 CB VAL A 96 -4.490 -6.317 -10.742 1.00 0.00 C ATOM 1470 CG1 VAL A 96 -5.161 -5.159 -11.469 1.00 0.00 C ATOM 1471 CG2 VAL A 96 -4.593 -6.078 -9.245 1.00 0.00 C ATOM 0 H VAL A 96 -6.882 -7.151 -10.290 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.926 -7.796 -12.251 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.436 -6.349 -11.020 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.734 -4.217 -11.125 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.000 -5.261 -12.542 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.231 -5.169 -11.260 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.189 -5.095 -9.005 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.638 -6.125 -8.940 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -4.026 -6.843 -8.715 1.00 0.00 H new ATOM 1481 N LEU A 97 -4.692 -9.407 -9.423 1.00 0.00 N ATOM 1482 CA LEU A 97 -4.038 -10.558 -8.781 1.00 0.00 C ATOM 1483 C LEU A 97 -4.126 -11.856 -9.613 1.00 0.00 C ATOM 1484 O LEU A 97 -3.388 -12.804 -9.331 1.00 0.00 O ATOM 1485 CB LEU A 97 -4.624 -10.780 -7.372 1.00 0.00 C ATOM 1486 CG LEU A 97 -3.989 -9.935 -6.249 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -4.326 -8.458 -6.298 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -4.540 -10.440 -4.912 1.00 0.00 C ATOM 0 H LEU A 97 -5.552 -9.116 -8.958 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.978 -10.315 -8.707 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.692 -10.566 -7.404 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.517 -11.834 -7.115 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.911 -10.040 -6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.836 -7.945 -5.470 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.980 -8.037 -7.242 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.405 -8.328 -6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.107 -9.859 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -5.624 -10.329 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.281 -11.491 -4.786 1.00 0.00 H new