USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 854 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 TYR OH : rot 180:sc= 0.00767 USER MOD Set 1.2: A 62 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-9.1!) USER MOD Single : A 13 SER OG : rot -124:sc= 1.15 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -148:sc= -0.427 (180deg=-0.649) USER MOD Single : A 24 THR OG1 : rot -38:sc= 0.164 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -1.67 F(o=-2.5!,f=-1.7) USER MOD Single : A 41 SER OG : rot -16:sc= -1.37! USER MOD Single : A 46 CYS SG : rot -27:sc= -4.87! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 CYS SG : rot -166:sc= 0.944 USER MOD Single : A 76 TYR OH : rot 30:sc= -2.47! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot -93:sc= 0.001 USER MOD Single : A 84 THR OG1 : rot 2:sc= 0.369 USER MOD Single : A 85 LYS NZ :NH3+ 175:sc=-0.000307 (180deg=-0.0422) USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00104 USER MOD Single : A 91 HIS : no HE2:sc= -6.53! C(o=-6.5!,f=-13!) USER MOD Single : A 92 HIS : no HD1:sc= -0.464 K(o=-0.46,f=-1.2) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.502 K(o=0.5,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 99:sc= 1.24 USER MOD Single : A 105 GLN : amide:sc= -4.45 K(o=-4.5,f=-14!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -171:sc= -0.108 (180deg=-0.202!) USER MOD ----------------------------------------------------------------- ATOM 163 N SER A 13 1.910 13.247 -9.452 1.00 0.00 N ATOM 164 CA SER A 13 1.219 12.054 -9.930 1.00 0.00 C ATOM 165 C SER A 13 0.874 11.106 -8.769 1.00 0.00 C ATOM 166 O SER A 13 0.640 9.909 -8.971 1.00 0.00 O ATOM 167 CB SER A 13 2.090 11.348 -10.982 1.00 0.00 C ATOM 168 OG SER A 13 1.292 10.717 -11.970 1.00 0.00 O ATOM 0 HA SER A 13 0.277 12.352 -10.390 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.753 12.073 -11.455 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.724 10.607 -10.495 1.00 0.00 H new ATOM 0 HG SER A 13 1.521 9.765 -12.016 1.00 0.00 H new ATOM 174 N TYR A 14 0.829 11.654 -7.557 1.00 0.00 N ATOM 175 CA TYR A 14 0.461 10.882 -6.370 1.00 0.00 C ATOM 176 C TYR A 14 -1.049 10.659 -6.307 1.00 0.00 C ATOM 177 O TYR A 14 -1.832 11.567 -6.592 1.00 0.00 O ATOM 178 CB TYR A 14 0.934 11.592 -5.088 1.00 0.00 C ATOM 179 CG TYR A 14 2.265 11.091 -4.557 1.00 0.00 C ATOM 180 CD1 TYR A 14 2.318 10.007 -3.685 1.00 0.00 C ATOM 181 CD2 TYR A 14 3.464 11.699 -4.916 1.00 0.00 C ATOM 182 CE1 TYR A 14 3.520 9.548 -3.188 1.00 0.00 C ATOM 183 CE2 TYR A 14 4.670 11.243 -4.420 1.00 0.00 C ATOM 184 CZ TYR A 14 4.693 10.168 -3.558 1.00 0.00 C ATOM 185 OH TYR A 14 5.890 9.716 -3.057 1.00 0.00 O ATOM 0 H TYR A 14 1.043 12.633 -7.370 1.00 0.00 H new ATOM 0 HA TYR A 14 0.955 9.913 -6.442 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.013 12.661 -5.286 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.176 11.466 -4.315 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.401 9.517 -3.392 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.452 12.540 -5.593 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.541 8.706 -2.512 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.592 11.727 -4.707 1.00 0.00 H new ATOM 0 HH TYR A 14 6.621 10.260 -3.416 1.00 0.00 H new ATOM 195 N ILE A 15 -1.447 9.443 -5.943 1.00 0.00 N ATOM 196 CA ILE A 15 -2.855 9.126 -5.710 1.00 0.00 C ATOM 197 C ILE A 15 -3.208 9.420 -4.259 1.00 0.00 C ATOM 198 O ILE A 15 -4.151 10.161 -3.977 1.00 0.00 O ATOM 199 CB ILE A 15 -3.190 7.639 -6.040 1.00 0.00 C ATOM 200 CG1 ILE A 15 -3.207 7.399 -7.559 1.00 0.00 C ATOM 201 CG2 ILE A 15 -4.531 7.226 -5.427 1.00 0.00 C ATOM 202 CD1 ILE A 15 -1.871 7.598 -8.234 1.00 0.00 C ATOM 0 H ILE A 15 -0.812 8.657 -5.802 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.448 9.750 -6.379 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.405 7.023 -5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.550 6.382 -7.751 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.934 8.072 -8.013 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.738 6.185 -5.673 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.487 7.341 -4.344 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.324 7.858 -5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.972 7.409 -9.303 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.533 8.622 -8.077 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.143 6.907 -7.810 1.00 0.00 H new ATOM 214 N VAL A 16 -2.433 8.847 -3.338 1.00 0.00 N ATOM 215 CA VAL A 16 -2.672 9.051 -1.910 1.00 0.00 C ATOM 216 C VAL A 16 -1.477 8.590 -1.073 1.00 0.00 C ATOM 217 O VAL A 16 -0.777 7.640 -1.437 1.00 0.00 O ATOM 218 CB VAL A 16 -3.959 8.313 -1.436 1.00 0.00 C ATOM 219 CG1 VAL A 16 -3.814 6.797 -1.575 1.00 0.00 C ATOM 220 CG2 VAL A 16 -4.318 8.701 -0.001 1.00 0.00 C ATOM 0 H VAL A 16 -1.640 8.242 -3.553 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.810 10.122 -1.763 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.777 8.628 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.729 6.311 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.634 6.543 -2.620 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.975 6.455 -0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.220 8.171 0.304 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.497 8.433 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.493 9.776 0.053 1.00 0.00 H new ATOM 230 N ARG A 17 -1.239 9.296 0.031 1.00 0.00 N ATOM 231 CA ARG A 17 -0.235 8.908 1.020 1.00 0.00 C ATOM 232 C ARG A 17 -0.916 8.639 2.358 1.00 0.00 C ATOM 233 O ARG A 17 -1.400 9.561 3.016 1.00 0.00 O ATOM 234 CB ARG A 17 0.840 9.998 1.168 1.00 0.00 C ATOM 235 CG ARG A 17 1.906 9.948 0.081 1.00 0.00 C ATOM 236 CD ARG A 17 2.942 11.056 0.220 1.00 0.00 C ATOM 237 NE ARG A 17 2.444 12.342 -0.264 1.00 0.00 N ATOM 238 CZ ARG A 17 3.211 13.265 -0.851 1.00 0.00 C ATOM 239 NH1 ARG A 17 4.529 13.104 -0.918 1.00 0.00 N ATOM 240 NH2 ARG A 17 2.660 14.369 -1.341 1.00 0.00 N ATOM 0 H ARG A 17 -1.738 10.154 0.265 1.00 0.00 H new ATOM 0 HA ARG A 17 0.260 7.998 0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.360 10.976 1.151 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.319 9.895 2.142 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.408 8.981 0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.427 10.025 -0.895 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.231 11.151 1.267 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.839 10.784 -0.335 1.00 0.00 H new ATOM 0 HE ARG A 17 1.452 12.547 -0.147 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.962 12.271 -0.519 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.107 13.814 -1.368 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.653 14.511 -1.269 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.244 15.075 -1.789 1.00 0.00 H new ATOM 254 N VAL A 18 -0.968 7.368 2.744 1.00 0.00 N ATOM 255 CA VAL A 18 -1.644 6.950 3.971 1.00 0.00 C ATOM 256 C VAL A 18 -0.632 6.510 5.025 1.00 0.00 C ATOM 257 O VAL A 18 0.530 6.242 4.711 1.00 0.00 O ATOM 258 CB VAL A 18 -2.636 5.787 3.703 1.00 0.00 C ATOM 259 CG1 VAL A 18 -3.729 6.219 2.730 1.00 0.00 C ATOM 260 CG2 VAL A 18 -1.901 4.551 3.181 1.00 0.00 C ATOM 0 H VAL A 18 -0.546 6.602 2.220 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.201 7.811 4.339 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.109 5.523 4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.412 5.387 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.280 7.060 3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.277 6.519 1.785 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.618 3.750 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.391 4.797 2.250 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.170 4.224 3.920 1.00 0.00 H new ATOM 270 N LYS A 19 -1.078 6.448 6.275 1.00 0.00 N ATOM 271 CA LYS A 19 -0.237 5.985 7.374 1.00 0.00 C ATOM 272 C LYS A 19 -0.267 4.462 7.462 1.00 0.00 C ATOM 273 O LYS A 19 -1.338 3.854 7.459 1.00 0.00 O ATOM 274 CB LYS A 19 -0.702 6.585 8.707 1.00 0.00 C ATOM 275 CG LYS A 19 0.122 6.118 9.905 1.00 0.00 C ATOM 276 CD LYS A 19 -0.483 6.572 11.229 1.00 0.00 C ATOM 277 CE LYS A 19 0.303 6.034 12.421 1.00 0.00 C ATOM 278 NZ LYS A 19 -0.329 6.390 13.719 1.00 0.00 N ATOM 0 H LYS A 19 -2.022 6.714 6.554 1.00 0.00 H new ATOM 0 HA LYS A 19 0.783 6.314 7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.653 7.672 8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.747 6.322 8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.193 5.030 9.894 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.137 6.505 9.819 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.501 7.661 11.267 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.517 6.233 11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.381 4.950 12.343 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.318 6.430 12.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.240 6.004 14.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.381 7.425 13.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.288 5.991 13.759 1.00 0.00 H new ATOM 292 N ALA A 20 0.912 3.860 7.531 1.00 0.00 N ATOM 293 CA ALA A 20 1.057 2.421 7.718 1.00 0.00 C ATOM 294 C ALA A 20 2.399 2.134 8.383 1.00 0.00 C ATOM 295 O ALA A 20 3.036 3.051 8.906 1.00 0.00 O ATOM 296 CB ALA A 20 0.941 1.693 6.382 1.00 0.00 C ATOM 0 H ALA A 20 1.800 4.357 7.459 1.00 0.00 H new ATOM 0 HA ALA A 20 0.257 2.056 8.362 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.052 0.620 6.541 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.035 1.895 5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.723 2.042 5.708 1.00 0.00 H new ATOM 302 N VAL A 21 2.810 0.871 8.393 1.00 0.00 N ATOM 303 CA VAL A 21 4.127 0.483 8.908 1.00 0.00 C ATOM 304 C VAL A 21 4.897 -0.291 7.839 1.00 0.00 C ATOM 305 O VAL A 21 4.490 -1.383 7.448 1.00 0.00 O ATOM 306 CB VAL A 21 4.010 -0.391 10.184 1.00 0.00 C ATOM 307 CG1 VAL A 21 5.393 -0.788 10.701 1.00 0.00 C ATOM 308 CG2 VAL A 21 3.210 0.331 11.269 1.00 0.00 C ATOM 0 H VAL A 21 2.250 0.091 8.049 1.00 0.00 H new ATOM 0 HA VAL A 21 4.660 1.398 9.167 1.00 0.00 H new ATOM 0 HB VAL A 21 3.473 -1.302 9.920 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.285 -1.400 11.596 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.919 -1.356 9.934 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.963 0.109 10.942 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.142 -0.303 12.153 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.709 1.264 11.529 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.208 0.546 10.899 1.00 0.00 H new ATOM 318 N VAL A 22 6.001 0.283 7.366 1.00 0.00 N ATOM 319 CA VAL A 22 6.803 -0.340 6.310 1.00 0.00 C ATOM 320 C VAL A 22 7.591 -1.549 6.835 1.00 0.00 C ATOM 321 O VAL A 22 8.542 -1.409 7.609 1.00 0.00 O ATOM 322 CB VAL A 22 7.771 0.681 5.650 1.00 0.00 C ATOM 323 CG1 VAL A 22 7.001 1.657 4.759 1.00 0.00 C ATOM 324 CG2 VAL A 22 8.573 1.441 6.709 1.00 0.00 C ATOM 0 H VAL A 22 6.362 1.178 7.696 1.00 0.00 H new ATOM 0 HA VAL A 22 6.103 -0.691 5.551 1.00 0.00 H new ATOM 0 HB VAL A 22 8.472 0.125 5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.697 2.363 4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.484 1.104 3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.272 2.201 5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.242 2.149 6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.890 1.981 7.365 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.159 0.735 7.298 1.00 0.00 H new ATOM 334 N MET A 23 7.186 -2.735 6.393 1.00 0.00 N ATOM 335 CA MET A 23 7.804 -3.996 6.816 1.00 0.00 C ATOM 336 C MET A 23 8.698 -4.533 5.690 1.00 0.00 C ATOM 337 O MET A 23 8.387 -4.346 4.513 1.00 0.00 O ATOM 338 CB MET A 23 6.714 -5.034 7.147 1.00 0.00 C ATOM 339 CG MET A 23 5.475 -4.456 7.824 1.00 0.00 C ATOM 340 SD MET A 23 5.813 -3.708 9.432 1.00 0.00 S ATOM 341 CE MET A 23 6.171 -5.154 10.423 1.00 0.00 C ATOM 0 H MET A 23 6.420 -2.854 5.731 1.00 0.00 H new ATOM 0 HA MET A 23 8.406 -3.816 7.706 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.411 -5.530 6.225 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.143 -5.799 7.794 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.030 -3.706 7.170 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.737 -5.248 7.949 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.848 -4.981 11.450 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.640 -6.015 10.016 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.243 -5.349 10.408 1.00 0.00 H new ATOM 351 N THR A 24 9.808 -5.188 6.045 1.00 0.00 N ATOM 352 CA THR A 24 10.717 -5.752 5.034 1.00 0.00 C ATOM 353 C THR A 24 11.160 -7.177 5.398 1.00 0.00 C ATOM 354 O THR A 24 11.824 -7.851 4.607 1.00 0.00 O ATOM 355 CB THR A 24 11.964 -4.850 4.844 1.00 0.00 C ATOM 356 OG1 THR A 24 12.695 -5.243 3.672 1.00 0.00 O ATOM 357 CG2 THR A 24 12.885 -4.908 6.059 1.00 0.00 C ATOM 0 H THR A 24 10.099 -5.341 7.011 1.00 0.00 H new ATOM 0 HA THR A 24 10.162 -5.795 4.097 1.00 0.00 H new ATOM 0 HB THR A 24 11.610 -3.826 4.726 1.00 0.00 H new ATOM 0 HG1 THR A 24 12.690 -6.220 3.595 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.749 -4.264 5.892 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.344 -4.568 6.942 1.00 0.00 H new ATOM 0 HG23 THR A 24 13.221 -5.934 6.212 1.00 0.00 H new ATOM 365 N ARG A 25 10.775 -7.625 6.594 1.00 0.00 N ATOM 366 CA ARG A 25 11.147 -8.950 7.107 1.00 0.00 C ATOM 367 C ARG A 25 12.665 -9.163 7.053 1.00 0.00 C ATOM 368 O ARG A 25 13.143 -10.196 6.582 1.00 0.00 O ATOM 369 CB ARG A 25 10.414 -10.067 6.339 1.00 0.00 C ATOM 370 CG ARG A 25 10.334 -11.380 7.118 1.00 0.00 C ATOM 371 CD ARG A 25 9.681 -12.498 6.313 1.00 0.00 C ATOM 372 NE ARG A 25 10.588 -13.062 5.309 1.00 0.00 N ATOM 373 CZ ARG A 25 10.327 -14.167 4.607 1.00 0.00 C ATOM 374 NH1 ARG A 25 9.155 -14.778 4.724 1.00 0.00 N ATOM 375 NH2 ARG A 25 11.243 -14.658 3.786 1.00 0.00 N ATOM 0 H ARG A 25 10.197 -7.082 7.236 1.00 0.00 H new ATOM 0 HA ARG A 25 10.839 -8.995 8.151 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.405 -9.732 6.099 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.925 -10.244 5.392 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.338 -11.687 7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.769 -11.220 8.036 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.355 -13.288 6.990 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.789 -12.114 5.819 1.00 0.00 H new ATOM 0 HE ARG A 25 11.471 -12.582 5.137 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.445 -14.404 5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.964 -15.622 4.184 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.145 -14.192 3.691 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.046 -15.502 3.248 1.00 0.00 H new ATOM 389 N ASP A 26 13.404 -8.152 7.525 1.00 0.00 N ATOM 390 CA ASP A 26 14.873 -8.203 7.680 1.00 0.00 C ATOM 391 C ASP A 26 15.592 -8.782 6.460 1.00 0.00 C ATOM 392 O ASP A 26 16.695 -9.324 6.593 1.00 0.00 O ATOM 393 CB ASP A 26 15.274 -8.983 8.953 1.00 0.00 C ATOM 394 CG ASP A 26 14.944 -10.473 8.901 1.00 0.00 C ATOM 395 OD1 ASP A 26 15.799 -11.275 8.450 1.00 0.00 O ATOM 396 OD2 ASP A 26 13.839 -10.851 9.336 1.00 0.00 O ATOM 0 H ASP A 26 12.999 -7.262 7.815 1.00 0.00 H new ATOM 0 HA ASP A 26 15.196 -7.166 7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.345 -8.865 9.116 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.770 -8.540 9.812 1.00 0.00 H new ATOM 401 N ASP A 27 14.976 -8.653 5.282 1.00 0.00 N ATOM 402 CA ASP A 27 15.561 -9.135 4.019 1.00 0.00 C ATOM 403 C ASP A 27 15.473 -10.659 3.905 1.00 0.00 C ATOM 404 O ASP A 27 15.185 -11.188 2.830 1.00 0.00 O ATOM 405 CB ASP A 27 17.027 -8.675 3.866 1.00 0.00 C ATOM 406 CG ASP A 27 17.731 -9.289 2.660 1.00 0.00 C ATOM 407 OD1 ASP A 27 18.318 -10.389 2.791 1.00 0.00 O ATOM 408 OD2 ASP A 27 17.721 -8.670 1.577 1.00 0.00 O ATOM 0 H ASP A 27 14.062 -8.214 5.172 1.00 0.00 H new ATOM 0 HA ASP A 27 14.976 -8.697 3.210 1.00 0.00 H new ATOM 0 HB2 ASP A 27 17.052 -7.589 3.778 1.00 0.00 H new ATOM 0 HB3 ASP A 27 17.578 -8.934 4.770 1.00 0.00 H new ATOM 413 N SER A 28 15.714 -11.361 5.009 1.00 0.00 N ATOM 414 CA SER A 28 15.743 -12.814 5.001 1.00 0.00 C ATOM 415 C SER A 28 14.399 -13.400 5.451 1.00 0.00 C ATOM 416 O SER A 28 13.497 -13.581 4.627 1.00 0.00 O ATOM 417 CB SER A 28 16.895 -13.313 5.879 1.00 0.00 C ATOM 418 OG SER A 28 18.117 -12.695 5.495 1.00 0.00 O ATOM 0 H SER A 28 15.892 -10.942 5.922 1.00 0.00 H new ATOM 0 HA SER A 28 15.912 -13.156 3.980 1.00 0.00 H new ATOM 0 HB2 SER A 28 16.683 -13.095 6.926 1.00 0.00 H new ATOM 0 HB3 SER A 28 16.985 -14.396 5.791 1.00 0.00 H new ATOM 0 HG SER A 28 18.843 -13.023 6.066 1.00 0.00 H new ATOM 424 N SER A 29 14.243 -13.666 6.755 1.00 0.00 N ATOM 425 CA SER A 29 13.035 -14.327 7.256 1.00 0.00 C ATOM 426 C SER A 29 13.036 -14.458 8.782 1.00 0.00 C ATOM 427 O SER A 29 12.401 -15.364 9.334 1.00 0.00 O ATOM 428 CB SER A 29 12.895 -15.711 6.604 1.00 0.00 C ATOM 429 OG SER A 29 14.129 -16.423 6.635 1.00 0.00 O ATOM 0 H SER A 29 14.930 -13.436 7.473 1.00 0.00 H new ATOM 0 HA SER A 29 12.181 -13.704 6.988 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.128 -16.285 7.124 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.563 -15.598 5.572 1.00 0.00 H new ATOM 0 HG SER A 29 14.011 -17.301 6.215 1.00 0.00 H new ATOM 435 N GLY A 30 13.720 -13.546 9.461 1.00 0.00 N ATOM 436 CA GLY A 30 13.762 -13.577 10.913 1.00 0.00 C ATOM 437 C GLY A 30 12.472 -13.062 11.529 1.00 0.00 C ATOM 438 O GLY A 30 12.090 -13.469 12.631 1.00 0.00 O ATOM 0 H GLY A 30 14.247 -12.785 9.033 1.00 0.00 H new ATOM 0 HA2 GLY A 30 13.942 -14.598 11.249 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.599 -12.973 11.265 1.00 0.00 H new ATOM 442 N GLY A 31 11.802 -12.162 10.812 1.00 0.00 N ATOM 443 CA GLY A 31 10.537 -11.613 11.276 1.00 0.00 C ATOM 444 C GLY A 31 10.214 -10.280 10.623 1.00 0.00 C ATOM 445 O GLY A 31 11.117 -9.533 10.242 1.00 0.00 O ATOM 0 H GLY A 31 12.115 -11.801 9.911 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.736 -12.322 11.065 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.573 -11.486 12.358 1.00 0.00 H new ATOM 449 N TRP A 32 8.924 -9.978 10.488 1.00 0.00 N ATOM 450 CA TRP A 32 8.488 -8.722 9.886 1.00 0.00 C ATOM 451 C TRP A 32 8.650 -7.576 10.883 1.00 0.00 C ATOM 452 O TRP A 32 7.842 -7.422 11.803 1.00 0.00 O ATOM 453 CB TRP A 32 7.025 -8.808 9.420 1.00 0.00 C ATOM 454 CG TRP A 32 6.788 -9.817 8.333 1.00 0.00 C ATOM 455 CD1 TRP A 32 6.561 -11.156 8.485 1.00 0.00 C ATOM 456 CD2 TRP A 32 6.743 -9.559 6.924 1.00 0.00 C ATOM 457 NE1 TRP A 32 6.382 -11.743 7.257 1.00 0.00 N ATOM 458 CE2 TRP A 32 6.486 -10.783 6.284 1.00 0.00 C ATOM 459 CE3 TRP A 32 6.896 -8.410 6.143 1.00 0.00 C ATOM 460 CZ2 TRP A 32 6.373 -10.891 4.898 1.00 0.00 C ATOM 461 CZ3 TRP A 32 6.787 -8.518 4.771 1.00 0.00 C ATOM 462 CH2 TRP A 32 6.527 -9.749 4.162 1.00 0.00 C ATOM 0 H TRP A 32 8.163 -10.587 10.788 1.00 0.00 H new ATOM 0 HA TRP A 32 9.113 -8.532 9.014 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.396 -9.056 10.275 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.709 -7.827 9.066 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.527 -11.676 9.431 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.201 -12.734 7.095 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.096 -7.454 6.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.172 -11.840 4.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.905 -7.637 4.158 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.446 -9.799 3.086 1.00 0.00 H new ATOM 473 N PHE A 33 9.704 -6.786 10.709 1.00 0.00 N ATOM 474 CA PHE A 33 9.945 -5.623 11.559 1.00 0.00 C ATOM 475 C PHE A 33 9.842 -4.336 10.734 1.00 0.00 C ATOM 476 O PHE A 33 10.045 -4.361 9.514 1.00 0.00 O ATOM 477 CB PHE A 33 11.324 -5.729 12.243 1.00 0.00 C ATOM 478 CG PHE A 33 12.504 -5.340 11.379 1.00 0.00 C ATOM 479 CD1 PHE A 33 12.647 -5.829 10.085 1.00 0.00 C ATOM 480 CD2 PHE A 33 13.480 -4.485 11.874 1.00 0.00 C ATOM 481 CE1 PHE A 33 13.732 -5.468 9.312 1.00 0.00 C ATOM 482 CE2 PHE A 33 14.567 -4.124 11.100 1.00 0.00 C ATOM 483 CZ PHE A 33 14.691 -4.616 9.817 1.00 0.00 C ATOM 0 H PHE A 33 10.408 -6.930 9.985 1.00 0.00 H new ATOM 0 HA PHE A 33 9.184 -5.594 12.338 1.00 0.00 H new ATOM 0 HB2 PHE A 33 11.321 -5.097 13.131 1.00 0.00 H new ATOM 0 HB3 PHE A 33 11.465 -6.755 12.582 1.00 0.00 H new ATOM 0 HD1 PHE A 33 11.902 -6.498 9.681 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.389 -4.097 12.878 1.00 0.00 H new ATOM 0 HE1 PHE A 33 13.830 -5.854 8.308 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.318 -3.458 11.499 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.538 -4.334 9.209 1.00 0.00 H new ATOM 493 N PRO A 34 9.495 -3.206 11.378 1.00 0.00 N ATOM 494 CA PRO A 34 9.450 -1.896 10.717 1.00 0.00 C ATOM 495 C PRO A 34 10.849 -1.427 10.306 1.00 0.00 C ATOM 496 O PRO A 34 11.780 -1.454 11.114 1.00 0.00 O ATOM 497 CB PRO A 34 8.855 -0.958 11.785 1.00 0.00 C ATOM 498 CG PRO A 34 8.263 -1.862 12.817 1.00 0.00 C ATOM 499 CD PRO A 34 9.098 -3.108 12.794 1.00 0.00 C ATOM 0 HA PRO A 34 8.864 -1.920 9.798 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.623 -0.317 12.218 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.098 -0.302 11.355 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.282 -1.396 13.802 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.221 -2.085 12.590 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.963 -3.028 13.452 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.531 -3.981 13.117 1.00 0.00 H new ATOM 507 N GLN A 35 10.994 -1.001 9.055 1.00 0.00 N ATOM 508 CA GLN A 35 12.288 -0.568 8.538 1.00 0.00 C ATOM 509 C GLN A 35 12.472 0.946 8.724 1.00 0.00 C ATOM 510 O GLN A 35 12.125 1.745 7.853 1.00 0.00 O ATOM 511 CB GLN A 35 12.448 -0.998 7.067 1.00 0.00 C ATOM 512 CG GLN A 35 11.447 -0.366 6.103 1.00 0.00 C ATOM 513 CD GLN A 35 11.313 -1.133 4.801 1.00 0.00 C ATOM 514 OE1 GLN A 35 10.325 -2.014 4.736 1.00 0.00 O flip ATOM 515 NE2 GLN A 35 12.069 -0.926 3.855 1.00 0.00 N flip ATOM 0 H GLN A 35 10.231 -0.946 8.380 1.00 0.00 H new ATOM 0 HA GLN A 35 13.078 -1.056 9.109 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.456 -0.747 6.737 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.353 -2.082 7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.472 -0.309 6.587 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.756 0.657 5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.819 -0.240 3.942 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.947 -1.440 2.983 1.00 0.00 H new ATOM 524 N GLU A 36 12.959 1.320 9.910 1.00 0.00 N ATOM 525 CA GLU A 36 13.280 2.711 10.264 1.00 0.00 C ATOM 526 C GLU A 36 12.037 3.589 10.465 1.00 0.00 C ATOM 527 O GLU A 36 12.056 4.498 11.298 1.00 0.00 O ATOM 528 CB GLU A 36 14.207 3.350 9.221 1.00 0.00 C ATOM 529 CG GLU A 36 15.564 2.667 9.103 1.00 0.00 C ATOM 530 CD GLU A 36 16.504 3.401 8.165 1.00 0.00 C ATOM 531 OE1 GLU A 36 17.085 4.428 8.586 1.00 0.00 O ATOM 532 OE2 GLU A 36 16.677 2.952 7.013 1.00 0.00 O ATOM 0 H GLU A 36 13.145 0.658 10.664 1.00 0.00 H new ATOM 0 HA GLU A 36 13.795 2.659 11.223 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.714 3.328 8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.359 4.398 9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.020 2.600 10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.424 1.647 8.747 1.00 0.00 H new ATOM 539 N GLY A 37 10.974 3.336 9.701 1.00 0.00 N ATOM 540 CA GLY A 37 9.756 4.123 9.821 1.00 0.00 C ATOM 541 C GLY A 37 9.104 3.973 11.183 1.00 0.00 C ATOM 542 O GLY A 37 8.787 4.964 11.845 1.00 0.00 O ATOM 0 H GLY A 37 10.935 2.597 8.999 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.986 5.174 9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.051 3.817 9.048 1.00 0.00 H new ATOM 546 N GLY A 38 8.925 2.730 11.607 1.00 0.00 N ATOM 547 CA GLY A 38 8.279 2.460 12.877 1.00 0.00 C ATOM 548 C GLY A 38 6.769 2.498 12.756 1.00 0.00 C ATOM 549 O GLY A 38 6.220 2.135 11.713 1.00 0.00 O ATOM 0 H GLY A 38 9.217 1.899 11.092 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.590 1.482 13.243 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.604 3.194 13.614 1.00 0.00 H new ATOM 553 N GLY A 39 6.101 2.956 13.811 1.00 0.00 N ATOM 554 CA GLY A 39 4.649 3.011 13.823 1.00 0.00 C ATOM 555 C GLY A 39 4.088 3.983 12.801 1.00 0.00 C ATOM 556 O GLY A 39 2.936 3.855 12.380 1.00 0.00 O ATOM 0 H GLY A 39 6.544 3.293 14.666 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.251 2.015 13.627 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.309 3.300 14.817 1.00 0.00 H new ATOM 560 N ILE A 40 4.898 4.962 12.406 1.00 0.00 N ATOM 561 CA ILE A 40 4.489 5.952 11.419 1.00 0.00 C ATOM 562 C ILE A 40 5.310 5.798 10.141 1.00 0.00 C ATOM 563 O ILE A 40 6.492 6.145 10.101 1.00 0.00 O ATOM 564 CB ILE A 40 4.630 7.399 11.965 1.00 0.00 C ATOM 565 CG1 ILE A 40 3.794 7.567 13.246 1.00 0.00 C ATOM 566 CG2 ILE A 40 4.205 8.418 10.905 1.00 0.00 C ATOM 567 CD1 ILE A 40 3.859 8.954 13.849 1.00 0.00 C ATOM 0 H ILE A 40 5.847 5.089 12.758 1.00 0.00 H new ATOM 0 HA ILE A 40 3.436 5.777 11.197 1.00 0.00 H new ATOM 0 HB ILE A 40 5.677 7.579 12.208 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.754 7.328 13.022 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.135 6.844 13.987 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.311 9.426 11.306 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.836 8.310 10.023 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.165 8.244 10.630 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.243 8.989 14.748 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.891 9.191 14.107 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.489 9.682 13.127 1.00 0.00 H new ATOM 579 N SER A 41 4.688 5.225 9.119 1.00 0.00 N ATOM 580 CA SER A 41 5.286 5.127 7.795 1.00 0.00 C ATOM 581 C SER A 41 4.276 5.606 6.752 1.00 0.00 C ATOM 582 O SER A 41 3.276 4.936 6.487 1.00 0.00 O ATOM 583 CB SER A 41 5.710 3.682 7.506 1.00 0.00 C ATOM 584 OG SER A 41 6.547 3.172 8.537 1.00 0.00 O ATOM 0 H SER A 41 3.756 4.816 9.185 1.00 0.00 H new ATOM 0 HA SER A 41 6.175 5.756 7.752 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.825 3.054 7.409 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.237 3.639 6.553 1.00 0.00 H new ATOM 0 HG SER A 41 6.886 3.914 9.080 1.00 0.00 H new ATOM 590 N ARG A 42 4.525 6.781 6.190 1.00 0.00 N ATOM 591 CA ARG A 42 3.619 7.387 5.220 1.00 0.00 C ATOM 592 C ARG A 42 3.783 6.707 3.858 1.00 0.00 C ATOM 593 O ARG A 42 4.647 7.078 3.057 1.00 0.00 O ATOM 594 CB ARG A 42 3.902 8.896 5.123 1.00 0.00 C ATOM 595 CG ARG A 42 2.829 9.705 4.401 1.00 0.00 C ATOM 596 CD ARG A 42 3.220 11.178 4.319 1.00 0.00 C ATOM 597 NE ARG A 42 2.143 12.029 3.794 1.00 0.00 N ATOM 598 CZ ARG A 42 2.347 13.118 3.045 1.00 0.00 C ATOM 599 NH1 ARG A 42 3.568 13.426 2.624 1.00 0.00 N ATOM 600 NH2 ARG A 42 1.323 13.882 2.689 1.00 0.00 N ATOM 0 H ARG A 42 5.355 7.339 6.391 1.00 0.00 H new ATOM 0 HA ARG A 42 2.588 7.250 5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.020 9.294 6.131 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.853 9.040 4.609 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.682 9.307 3.397 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.879 9.606 4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.502 11.529 5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.099 11.280 3.683 1.00 0.00 H new ATOM 0 HE ARG A 42 1.181 11.773 4.014 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.358 12.830 2.872 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.716 14.258 2.053 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.378 13.639 2.987 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.480 14.712 2.118 1.00 0.00 H new ATOM 614 N VAL A 43 2.976 5.680 3.623 1.00 0.00 N ATOM 615 CA VAL A 43 3.023 4.927 2.377 1.00 0.00 C ATOM 616 C VAL A 43 2.279 5.680 1.278 1.00 0.00 C ATOM 617 O VAL A 43 1.083 5.957 1.399 1.00 0.00 O ATOM 618 CB VAL A 43 2.416 3.508 2.545 1.00 0.00 C ATOM 619 CG1 VAL A 43 2.454 2.739 1.225 1.00 0.00 C ATOM 620 CG2 VAL A 43 3.153 2.740 3.643 1.00 0.00 C ATOM 0 H VAL A 43 2.275 5.348 4.286 1.00 0.00 H new ATOM 0 HA VAL A 43 4.071 4.816 2.097 1.00 0.00 H new ATOM 0 HB VAL A 43 1.372 3.614 2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.023 1.748 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.879 3.279 0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.487 2.641 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.716 1.747 3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.206 2.646 3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.063 3.278 4.587 1.00 0.00 H new ATOM 630 N GLY A 44 3.000 6.016 0.215 1.00 0.00 N ATOM 631 CA GLY A 44 2.427 6.780 -0.870 1.00 0.00 C ATOM 632 C GLY A 44 2.409 6.019 -2.175 1.00 0.00 C ATOM 633 O GLY A 44 3.449 5.560 -2.653 1.00 0.00 O ATOM 0 H GLY A 44 3.981 5.768 0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.409 7.067 -0.608 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.995 7.701 -0.999 1.00 0.00 H new ATOM 637 N VAL A 45 1.222 5.879 -2.750 1.00 0.00 N ATOM 638 CA VAL A 45 1.072 5.262 -4.058 1.00 0.00 C ATOM 639 C VAL A 45 0.932 6.345 -5.129 1.00 0.00 C ATOM 640 O VAL A 45 0.059 7.221 -5.036 1.00 0.00 O ATOM 641 CB VAL A 45 -0.143 4.295 -4.106 1.00 0.00 C ATOM 642 CG1 VAL A 45 -1.436 5.006 -3.712 1.00 0.00 C ATOM 643 CG2 VAL A 45 -0.273 3.650 -5.489 1.00 0.00 C ATOM 0 H VAL A 45 0.346 6.187 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 45 1.966 4.670 -4.254 1.00 0.00 H new ATOM 0 HB VAL A 45 0.034 3.504 -3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.267 4.301 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.343 5.395 -2.698 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.622 5.830 -4.401 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.131 2.977 -5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.413 4.427 -6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.632 3.086 -5.714 1.00 0.00 H new ATOM 653 N CYS A 46 1.820 6.305 -6.117 1.00 0.00 N ATOM 654 CA CYS A 46 1.796 7.257 -7.221 1.00 0.00 C ATOM 655 C CYS A 46 1.774 6.523 -8.560 1.00 0.00 C ATOM 656 O CYS A 46 2.422 5.484 -8.722 1.00 0.00 O ATOM 657 CB CYS A 46 3.002 8.200 -7.133 1.00 0.00 C ATOM 658 SG CYS A 46 4.588 7.359 -6.948 1.00 0.00 S ATOM 0 H CYS A 46 2.571 5.617 -6.175 1.00 0.00 H new ATOM 0 HA CYS A 46 0.887 7.855 -7.149 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.033 8.816 -8.031 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.861 8.874 -6.288 1.00 0.00 H new ATOM 0 HG CYS A 46 4.405 6.209 -6.370 1.00 0.00 H new ATOM 664 N LYS A 47 1.017 7.064 -9.508 1.00 0.00 N ATOM 665 CA LYS A 47 0.826 6.441 -10.814 1.00 0.00 C ATOM 666 C LYS A 47 1.923 6.895 -11.769 1.00 0.00 C ATOM 667 O LYS A 47 1.890 8.016 -12.278 1.00 0.00 O ATOM 668 CB LYS A 47 -0.559 6.816 -11.364 1.00 0.00 C ATOM 669 CG LYS A 47 -1.015 6.011 -12.578 1.00 0.00 C ATOM 670 CD LYS A 47 -2.405 6.456 -13.038 1.00 0.00 C ATOM 671 CE LYS A 47 -2.935 5.615 -14.194 1.00 0.00 C ATOM 672 NZ LYS A 47 -4.278 6.074 -14.645 1.00 0.00 N ATOM 0 H LYS A 47 0.518 7.946 -9.394 1.00 0.00 H new ATOM 0 HA LYS A 47 0.882 5.357 -10.713 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.294 6.692 -10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.553 7.873 -11.630 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.301 6.137 -13.392 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.032 4.950 -12.330 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.099 6.393 -12.200 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.366 7.502 -13.342 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.236 5.664 -15.029 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.993 4.571 -13.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.603 5.477 -15.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.952 6.004 -13.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.218 7.063 -14.963 1.00 0.00 H new ATOM 686 N VAL A 48 2.906 6.034 -11.989 1.00 0.00 N ATOM 687 CA VAL A 48 4.044 6.373 -12.833 1.00 0.00 C ATOM 688 C VAL A 48 3.645 6.355 -14.307 1.00 0.00 C ATOM 689 O VAL A 48 3.618 5.299 -14.947 1.00 0.00 O ATOM 690 CB VAL A 48 5.235 5.415 -12.606 1.00 0.00 C ATOM 691 CG1 VAL A 48 6.394 5.770 -13.536 1.00 0.00 C ATOM 692 CG2 VAL A 48 5.681 5.450 -11.145 1.00 0.00 C ATOM 0 H VAL A 48 2.939 5.094 -11.594 1.00 0.00 H new ATOM 0 HA VAL A 48 4.360 7.378 -12.555 1.00 0.00 H new ATOM 0 HB VAL A 48 4.911 4.401 -12.838 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.223 5.085 -13.362 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.067 5.688 -14.573 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.720 6.791 -13.338 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.521 4.769 -11.004 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.987 6.463 -10.882 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.854 5.143 -10.505 1.00 0.00 H new ATOM 702 N MET A 49 3.321 7.532 -14.825 1.00 0.00 N ATOM 703 CA MET A 49 2.947 7.691 -16.225 1.00 0.00 C ATOM 704 C MET A 49 4.193 7.889 -17.087 1.00 0.00 C ATOM 705 O MET A 49 5.281 8.175 -16.570 1.00 0.00 O ATOM 706 CB MET A 49 1.965 8.866 -16.384 1.00 0.00 C ATOM 707 CG MET A 49 2.486 10.199 -15.854 1.00 0.00 C ATOM 708 SD MET A 49 3.757 10.929 -16.907 1.00 0.00 S ATOM 709 CE MET A 49 4.217 12.369 -15.941 1.00 0.00 C ATOM 0 H MET A 49 3.310 8.400 -14.290 1.00 0.00 H new ATOM 0 HA MET A 49 2.445 6.785 -16.564 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.721 8.979 -17.440 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.037 8.621 -15.867 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.654 10.897 -15.761 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.892 10.052 -14.853 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.996 12.924 -16.464 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.345 13.009 -15.804 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.589 12.050 -14.967 1.00 0.00 H new ATOM 828 N GLY A 58 2.875 2.397 -14.793 1.00 0.00 N ATOM 829 CA GLY A 58 3.260 1.657 -13.604 1.00 0.00 C ATOM 830 C GLY A 58 2.972 2.437 -12.337 1.00 0.00 C ATOM 831 O GLY A 58 2.262 3.445 -12.370 1.00 0.00 O ATOM 0 HA2 GLY A 58 2.723 0.709 -13.577 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.323 1.421 -13.651 1.00 0.00 H new ATOM 835 N PHE A 59 3.525 1.984 -11.217 1.00 0.00 N ATOM 836 CA PHE A 59 3.303 2.639 -9.929 1.00 0.00 C ATOM 837 C PHE A 59 4.585 2.646 -9.106 1.00 0.00 C ATOM 838 O PHE A 59 5.380 1.708 -9.171 1.00 0.00 O ATOM 839 CB PHE A 59 2.185 1.934 -9.140 1.00 0.00 C ATOM 840 CG PHE A 59 0.823 2.025 -9.788 1.00 0.00 C ATOM 841 CD1 PHE A 59 0.001 3.118 -9.551 1.00 0.00 C ATOM 842 CD2 PHE A 59 0.366 1.021 -10.633 1.00 0.00 C ATOM 843 CE1 PHE A 59 -1.243 3.209 -10.143 1.00 0.00 C ATOM 844 CE2 PHE A 59 -0.879 1.110 -11.227 1.00 0.00 C ATOM 845 CZ PHE A 59 -1.685 2.205 -10.981 1.00 0.00 C ATOM 0 H PHE A 59 4.131 1.165 -11.173 1.00 0.00 H new ATOM 0 HA PHE A 59 2.998 3.667 -10.125 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.448 0.883 -9.017 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.130 2.367 -8.141 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.339 3.907 -8.895 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.990 0.162 -10.828 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.871 4.066 -9.950 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.222 0.324 -11.883 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.659 2.275 -11.443 1.00 0.00 H new ATOM 855 N LEU A 60 4.795 3.716 -8.352 1.00 0.00 N ATOM 856 CA LEU A 60 5.896 3.776 -7.402 1.00 0.00 C ATOM 857 C LEU A 60 5.320 3.592 -6.006 1.00 0.00 C ATOM 858 O LEU A 60 4.597 4.463 -5.508 1.00 0.00 O ATOM 859 CB LEU A 60 6.651 5.122 -7.495 1.00 0.00 C ATOM 860 CG LEU A 60 8.129 5.119 -7.039 1.00 0.00 C ATOM 861 CD1 LEU A 60 8.722 6.526 -7.116 1.00 0.00 C ATOM 862 CD2 LEU A 60 8.293 4.554 -5.627 1.00 0.00 C ATOM 0 H LEU A 60 4.216 4.555 -8.380 1.00 0.00 H new ATOM 0 HA LEU A 60 6.615 2.989 -7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.614 5.463 -8.530 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.112 5.857 -6.898 1.00 0.00 H new ATOM 0 HG LEU A 60 8.673 4.466 -7.722 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.762 6.501 -6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.672 6.886 -8.143 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.156 7.195 -6.469 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.347 4.571 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.722 5.160 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.928 3.527 -5.601 1.00 0.00 H new ATOM 874 N ILE A 61 5.597 2.445 -5.399 1.00 0.00 N ATOM 875 CA ILE A 61 5.204 2.209 -4.022 1.00 0.00 C ATOM 876 C ILE A 61 6.236 2.861 -3.108 1.00 0.00 C ATOM 877 O ILE A 61 7.251 2.252 -2.758 1.00 0.00 O ATOM 878 CB ILE A 61 5.075 0.698 -3.700 1.00 0.00 C ATOM 879 CG1 ILE A 61 4.130 0.010 -4.706 1.00 0.00 C ATOM 880 CG2 ILE A 61 4.585 0.485 -2.266 1.00 0.00 C ATOM 881 CD1 ILE A 61 2.740 0.615 -4.770 1.00 0.00 C ATOM 0 H ILE A 61 6.090 1.668 -5.839 1.00 0.00 H new ATOM 0 HA ILE A 61 4.219 2.647 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 61 6.063 0.245 -3.790 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.579 0.055 -5.698 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.043 -1.044 -4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.503 -0.583 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.294 0.932 -1.569 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.609 0.954 -2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.140 0.073 -5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.268 0.546 -3.790 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.812 1.662 -5.065 1.00 0.00 H new ATOM 893 N HIS A 62 5.993 4.123 -2.781 1.00 0.00 N ATOM 894 CA HIS A 62 6.943 4.923 -2.024 1.00 0.00 C ATOM 895 C HIS A 62 6.641 4.845 -0.530 1.00 0.00 C ATOM 896 O HIS A 62 5.480 4.769 -0.125 1.00 0.00 O ATOM 897 CB HIS A 62 6.900 6.381 -2.509 1.00 0.00 C ATOM 898 CG HIS A 62 7.929 7.262 -1.864 1.00 0.00 C ATOM 899 ND1 HIS A 62 7.655 8.496 -1.319 1.00 0.00 N ATOM 900 CD2 HIS A 62 9.259 7.065 -1.692 1.00 0.00 C ATOM 901 CE1 HIS A 62 8.800 9.001 -0.849 1.00 0.00 C ATOM 902 NE2 HIS A 62 9.803 8.171 -1.047 1.00 0.00 N ATOM 0 H HIS A 62 5.137 4.618 -3.032 1.00 0.00 H new ATOM 0 HA HIS A 62 7.945 4.527 -2.187 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.044 6.400 -3.589 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.909 6.791 -2.313 1.00 0.00 H new ATOM 0 HD1 HIS A 62 6.740 8.945 -1.281 1.00 0.00 H new ATOM 0 HD2 HIS A 62 9.808 6.190 -2.005 1.00 0.00 H new ATOM 0 HE1 HIS A 62 8.891 9.964 -0.369 1.00 0.00 H new ATOM 910 N GLY A 63 7.693 4.852 0.281 1.00 0.00 N ATOM 911 CA GLY A 63 7.531 4.802 1.718 1.00 0.00 C ATOM 912 C GLY A 63 8.357 5.858 2.418 1.00 0.00 C ATOM 913 O GLY A 63 9.506 5.613 2.807 1.00 0.00 O ATOM 0 H GLY A 63 8.661 4.892 -0.037 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.479 4.939 1.969 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.820 3.816 2.081 1.00 0.00 H new ATOM 917 N GLU A 64 7.775 7.042 2.555 1.00 0.00 N ATOM 918 CA GLU A 64 8.375 8.124 3.325 1.00 0.00 C ATOM 919 C GLU A 64 7.933 7.982 4.780 1.00 0.00 C ATOM 920 O GLU A 64 6.764 7.714 5.041 1.00 0.00 O ATOM 921 CB GLU A 64 7.961 9.486 2.732 1.00 0.00 C ATOM 922 CG GLU A 64 6.474 9.586 2.389 1.00 0.00 C ATOM 923 CD GLU A 64 6.094 10.895 1.705 1.00 0.00 C ATOM 924 OE1 GLU A 64 5.777 11.870 2.419 1.00 0.00 O ATOM 925 OE2 GLU A 64 6.097 10.947 0.454 1.00 0.00 O ATOM 0 H GLU A 64 6.876 7.279 2.137 1.00 0.00 H new ATOM 0 HA GLU A 64 9.463 8.070 3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.214 10.273 3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.545 9.671 1.831 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.202 8.754 1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.890 9.480 3.304 1.00 0.00 H new ATOM 932 N ARG A 65 8.864 8.127 5.726 1.00 0.00 N ATOM 933 CA ARG A 65 8.565 7.838 7.134 1.00 0.00 C ATOM 934 C ARG A 65 7.353 8.627 7.627 1.00 0.00 C ATOM 935 O ARG A 65 6.303 8.056 7.914 1.00 0.00 O ATOM 936 CB ARG A 65 9.772 8.127 8.041 1.00 0.00 C ATOM 937 CG ARG A 65 11.035 7.353 7.668 1.00 0.00 C ATOM 938 CD ARG A 65 11.923 7.093 8.882 1.00 0.00 C ATOM 939 NE ARG A 65 12.184 8.305 9.660 1.00 0.00 N ATOM 940 CZ ARG A 65 12.464 8.309 10.965 1.00 0.00 C ATOM 941 NH1 ARG A 65 12.504 7.176 11.655 1.00 0.00 N ATOM 942 NH2 ARG A 65 12.700 9.454 11.585 1.00 0.00 N ATOM 0 H ARG A 65 9.819 8.438 5.549 1.00 0.00 H new ATOM 0 HA ARG A 65 8.334 6.774 7.189 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.990 9.194 8.007 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.504 7.889 9.070 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.757 6.403 7.212 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.597 7.913 6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.448 6.350 9.523 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.870 6.668 8.550 1.00 0.00 H new ATOM 0 HE ARG A 65 12.150 9.202 9.175 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.320 6.288 11.188 1.00 0.00 H new ATOM 0 HH12 ARG A 65 12.719 7.193 12.652 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.668 10.331 11.066 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.914 9.459 12.582 1.00 0.00 H new ATOM 956 N GLN A 66 7.499 9.942 7.706 1.00 0.00 N ATOM 957 CA GLN A 66 6.452 10.798 8.260 1.00 0.00 C ATOM 958 C GLN A 66 5.951 11.783 7.208 1.00 0.00 C ATOM 959 O GLN A 66 4.749 11.995 7.059 1.00 0.00 O ATOM 960 CB GLN A 66 6.998 11.550 9.482 1.00 0.00 C ATOM 961 CG GLN A 66 7.626 10.633 10.528 1.00 0.00 C ATOM 962 CD GLN A 66 8.351 11.397 11.620 1.00 0.00 C ATOM 963 OE1 GLN A 66 9.544 11.684 11.503 1.00 0.00 O ATOM 964 NE2 GLN A 66 7.641 11.732 12.683 1.00 0.00 N ATOM 0 H GLN A 66 8.331 10.442 7.394 1.00 0.00 H new ATOM 0 HA GLN A 66 5.611 10.177 8.568 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.742 12.274 9.151 1.00 0.00 H new ATOM 0 HB3 GLN A 66 6.188 12.114 9.944 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.848 10.016 10.978 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.326 9.956 10.038 1.00 0.00 H new ATOM 0 HE21 GLN A 66 6.656 11.475 12.740 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.078 12.248 13.447 1.00 0.00 H new ATOM 973 N LYS A 67 6.893 12.369 6.475 1.00 0.00 N ATOM 974 CA LYS A 67 6.586 13.352 5.442 1.00 0.00 C ATOM 975 C LYS A 67 7.866 13.696 4.682 1.00 0.00 C ATOM 976 O LYS A 67 8.642 14.549 5.126 1.00 0.00 O ATOM 977 CB LYS A 67 5.989 14.623 6.069 1.00 0.00 C ATOM 978 CG LYS A 67 5.636 15.713 5.058 1.00 0.00 C ATOM 979 CD LYS A 67 5.385 17.054 5.743 1.00 0.00 C ATOM 980 CE LYS A 67 6.610 17.514 6.530 1.00 0.00 C ATOM 981 NZ LYS A 67 6.451 18.886 7.083 1.00 0.00 N ATOM 0 H LYS A 67 7.889 12.176 6.580 1.00 0.00 H new ATOM 0 HA LYS A 67 5.852 12.932 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.091 14.353 6.624 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.700 15.028 6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 67 6.447 15.818 4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.748 15.418 4.499 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.128 17.804 4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.531 16.967 6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 67 6.796 16.816 7.346 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.486 17.487 5.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.309 19.150 7.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.300 19.559 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.632 18.909 7.724 1.00 0.00 H new ATOM 995 N ASP A 68 8.093 13.004 3.565 1.00 0.00 N ATOM 996 CA ASP A 68 9.322 13.161 2.780 1.00 0.00 C ATOM 997 C ASP A 68 10.532 12.993 3.716 1.00 0.00 C ATOM 998 O ASP A 68 10.483 12.166 4.634 1.00 0.00 O ATOM 999 CB ASP A 68 9.315 14.532 2.065 1.00 0.00 C ATOM 1000 CG ASP A 68 10.336 14.632 0.932 1.00 0.00 C ATOM 1001 OD1 ASP A 68 10.103 14.045 -0.144 1.00 0.00 O ATOM 1002 OD2 ASP A 68 11.381 15.298 1.116 1.00 0.00 O ATOM 0 H ASP A 68 7.438 12.324 3.180 1.00 0.00 H new ATOM 0 HA ASP A 68 9.386 12.398 2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.319 14.719 1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.516 15.315 2.796 1.00 0.00 H new ATOM 1007 N LYS A 69 11.601 13.757 3.485 1.00 0.00 N ATOM 1008 CA LYS A 69 12.781 13.780 4.352 1.00 0.00 C ATOM 1009 C LYS A 69 13.596 12.490 4.246 1.00 0.00 C ATOM 1010 O LYS A 69 14.737 12.510 3.779 1.00 0.00 O ATOM 1011 CB LYS A 69 12.387 14.049 5.817 1.00 0.00 C ATOM 1012 CG LYS A 69 13.578 14.281 6.740 1.00 0.00 C ATOM 1013 CD LYS A 69 13.142 14.628 8.160 1.00 0.00 C ATOM 1014 CE LYS A 69 14.333 14.995 9.036 1.00 0.00 C ATOM 1015 NZ LYS A 69 13.925 15.366 10.417 1.00 0.00 N ATOM 0 H LYS A 69 11.673 14.383 2.683 1.00 0.00 H new ATOM 0 HA LYS A 69 13.413 14.598 4.006 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.735 14.922 5.854 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.809 13.203 6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 69 14.200 13.386 6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 69 14.193 15.088 6.342 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.439 15.461 8.133 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.615 13.780 8.597 1.00 0.00 H new ATOM 0 HE2 LYS A 69 15.024 14.153 9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 69 14.872 15.827 8.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.769 15.608 10.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.287 16.186 10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.434 14.564 10.861 1.00 0.00 H new ATOM 1029 N LEU A 70 13.017 11.374 4.674 1.00 0.00 N ATOM 1030 CA LEU A 70 13.728 10.100 4.705 1.00 0.00 C ATOM 1031 C LEU A 70 12.902 9.014 4.009 1.00 0.00 C ATOM 1032 O LEU A 70 11.816 8.652 4.474 1.00 0.00 O ATOM 1033 CB LEU A 70 14.026 9.708 6.166 1.00 0.00 C ATOM 1034 CG LEU A 70 15.288 8.851 6.400 1.00 0.00 C ATOM 1035 CD1 LEU A 70 15.482 8.584 7.889 1.00 0.00 C ATOM 1036 CD2 LEU A 70 15.233 7.535 5.628 1.00 0.00 C ATOM 0 H LEU A 70 12.054 11.325 5.006 1.00 0.00 H new ATOM 0 HA LEU A 70 14.672 10.202 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.119 10.622 6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.166 9.164 6.557 1.00 0.00 H new ATOM 0 HG LEU A 70 16.141 9.417 6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.376 7.978 8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.594 9.531 8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.615 8.051 8.279 1.00 0.00 H new ATOM 0 HD21 LEU A 70 16.140 6.962 5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.365 6.960 5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.154 7.742 4.561 1.00 0.00 H new ATOM 1048 N VAL A 71 13.423 8.514 2.892 1.00 0.00 N ATOM 1049 CA VAL A 71 12.790 7.428 2.150 1.00 0.00 C ATOM 1050 C VAL A 71 13.292 6.085 2.678 1.00 0.00 C ATOM 1051 O VAL A 71 14.478 5.766 2.550 1.00 0.00 O ATOM 1052 CB VAL A 71 13.097 7.531 0.634 1.00 0.00 C ATOM 1053 CG1 VAL A 71 12.376 6.431 -0.148 1.00 0.00 C ATOM 1054 CG2 VAL A 71 12.728 8.915 0.102 1.00 0.00 C ATOM 0 H VAL A 71 14.293 8.849 2.477 1.00 0.00 H new ATOM 0 HA VAL A 71 11.712 7.505 2.289 1.00 0.00 H new ATOM 0 HB VAL A 71 14.169 7.389 0.494 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.609 6.526 -1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 71 12.705 5.455 0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.300 6.527 -0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.951 8.967 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.664 9.093 0.259 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.305 9.674 0.631 1.00 0.00 H new ATOM 1064 N VAL A 72 12.403 5.309 3.287 1.00 0.00 N ATOM 1065 CA VAL A 72 12.783 4.023 3.875 1.00 0.00 C ATOM 1066 C VAL A 72 12.302 2.852 3.030 1.00 0.00 C ATOM 1067 O VAL A 72 12.723 1.716 3.243 1.00 0.00 O ATOM 1068 CB VAL A 72 12.241 3.867 5.315 1.00 0.00 C ATOM 1069 CG1 VAL A 72 12.938 4.841 6.258 1.00 0.00 C ATOM 1070 CG2 VAL A 72 10.724 4.061 5.353 1.00 0.00 C ATOM 0 H VAL A 72 11.416 5.544 3.388 1.00 0.00 H new ATOM 0 HA VAL A 72 13.873 4.014 3.905 1.00 0.00 H new ATOM 0 HB VAL A 72 12.456 2.853 5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.543 4.716 7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.010 4.641 6.260 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.760 5.863 5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.368 3.946 6.377 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.476 5.059 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.246 3.316 4.717 1.00 0.00 H new ATOM 1080 N LEU A 73 11.424 3.124 2.073 1.00 0.00 N ATOM 1081 CA LEU A 73 10.890 2.080 1.210 1.00 0.00 C ATOM 1082 C LEU A 73 10.721 2.629 -0.200 1.00 0.00 C ATOM 1083 O LEU A 73 10.007 3.609 -0.416 1.00 0.00 O ATOM 1084 CB LEU A 73 9.552 1.553 1.780 1.00 0.00 C ATOM 1085 CG LEU A 73 8.958 0.284 1.121 1.00 0.00 C ATOM 1086 CD1 LEU A 73 8.315 0.595 -0.231 1.00 0.00 C ATOM 1087 CD2 LEU A 73 10.024 -0.803 0.978 1.00 0.00 C ATOM 0 H LEU A 73 11.067 4.059 1.875 1.00 0.00 H new ATOM 0 HA LEU A 73 11.584 1.240 1.170 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.693 1.349 2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.814 2.351 1.704 1.00 0.00 H new ATOM 0 HG LEU A 73 8.172 -0.088 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.910 -0.321 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.511 1.318 -0.094 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.065 1.011 -0.904 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.584 -1.685 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 73 10.839 -0.433 0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.409 -1.066 1.963 1.00 0.00 H new ATOM 1099 N GLU A 74 11.405 2.003 -1.147 1.00 0.00 N ATOM 1100 CA GLU A 74 11.334 2.386 -2.549 1.00 0.00 C ATOM 1101 C GLU A 74 11.006 1.143 -3.373 1.00 0.00 C ATOM 1102 O GLU A 74 11.884 0.320 -3.650 1.00 0.00 O ATOM 1103 CB GLU A 74 12.674 3.022 -2.980 1.00 0.00 C ATOM 1104 CG GLU A 74 12.657 3.722 -4.341 1.00 0.00 C ATOM 1105 CD GLU A 74 12.711 2.762 -5.522 1.00 0.00 C ATOM 1106 OE1 GLU A 74 13.817 2.299 -5.872 1.00 0.00 O ATOM 1107 OE2 GLU A 74 11.654 2.464 -6.107 1.00 0.00 O ATOM 0 H GLU A 74 12.025 1.214 -0.964 1.00 0.00 H new ATOM 0 HA GLU A 74 10.552 3.128 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.975 3.745 -2.222 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.437 2.244 -2.999 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.754 4.328 -4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.505 4.405 -4.400 1.00 0.00 H new ATOM 1114 N CYS A 75 9.732 0.984 -3.719 1.00 0.00 N ATOM 1115 CA CYS A 75 9.277 -0.182 -4.462 1.00 0.00 C ATOM 1116 C CYS A 75 8.568 0.245 -5.743 1.00 0.00 C ATOM 1117 O CYS A 75 7.350 0.103 -5.888 1.00 0.00 O ATOM 1118 CB CYS A 75 8.365 -1.053 -3.589 1.00 0.00 C ATOM 1119 SG CYS A 75 7.821 -2.583 -4.382 1.00 0.00 S ATOM 0 H CYS A 75 8.995 1.652 -3.495 1.00 0.00 H new ATOM 0 HA CYS A 75 10.146 -0.779 -4.741 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.892 -1.302 -2.668 1.00 0.00 H new ATOM 0 HB3 CYS A 75 7.487 -0.471 -3.307 1.00 0.00 H new ATOM 0 HG CYS A 75 6.833 -3.093 -3.708 1.00 0.00 H new ATOM 1125 N TYR A 76 9.345 0.821 -6.645 1.00 0.00 N ATOM 1126 CA TYR A 76 8.883 1.174 -7.979 1.00 0.00 C ATOM 1127 C TYR A 76 8.480 -0.100 -8.722 1.00 0.00 C ATOM 1128 O TYR A 76 9.334 -0.848 -9.188 1.00 0.00 O ATOM 1129 CB TYR A 76 10.028 1.899 -8.707 1.00 0.00 C ATOM 1130 CG TYR A 76 9.701 2.510 -10.062 1.00 0.00 C ATOM 1131 CD1 TYR A 76 9.639 1.728 -11.210 1.00 0.00 C ATOM 1132 CD2 TYR A 76 9.503 3.881 -10.197 1.00 0.00 C ATOM 1133 CE1 TYR A 76 9.384 2.290 -12.445 1.00 0.00 C ATOM 1134 CE2 TYR A 76 9.257 4.450 -11.431 1.00 0.00 C ATOM 1135 CZ TYR A 76 9.198 3.651 -12.551 1.00 0.00 C ATOM 1136 OH TYR A 76 8.967 4.217 -13.786 1.00 0.00 O ATOM 0 H TYR A 76 10.322 1.059 -6.472 1.00 0.00 H new ATOM 0 HA TYR A 76 8.015 1.832 -7.933 1.00 0.00 H new ATOM 0 HB2 TYR A 76 10.396 2.692 -8.056 1.00 0.00 H new ATOM 0 HB3 TYR A 76 10.847 1.192 -8.842 1.00 0.00 H new ATOM 0 HD1 TYR A 76 9.793 0.662 -11.134 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.542 4.511 -9.321 1.00 0.00 H new ATOM 0 HE1 TYR A 76 9.331 1.665 -13.324 1.00 0.00 H new ATOM 0 HE2 TYR A 76 9.112 5.517 -11.517 1.00 0.00 H new ATOM 0 HH TYR A 76 8.506 3.571 -14.361 1.00 0.00 H new ATOM 1146 N VAL A 77 7.187 -0.380 -8.801 1.00 0.00 N ATOM 1147 CA VAL A 77 6.728 -1.590 -9.469 1.00 0.00 C ATOM 1148 C VAL A 77 6.631 -1.333 -10.966 1.00 0.00 C ATOM 1149 O VAL A 77 5.801 -0.536 -11.426 1.00 0.00 O ATOM 1150 CB VAL A 77 5.376 -2.116 -8.906 1.00 0.00 C ATOM 1151 CG1 VAL A 77 5.541 -2.579 -7.460 1.00 0.00 C ATOM 1152 CG2 VAL A 77 4.273 -1.066 -9.007 1.00 0.00 C ATOM 0 H VAL A 77 6.445 0.205 -8.416 1.00 0.00 H new ATOM 0 HA VAL A 77 7.460 -2.374 -9.276 1.00 0.00 H new ATOM 0 HB VAL A 77 5.077 -2.967 -9.517 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.585 -2.943 -7.083 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.278 -3.381 -7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.878 -1.743 -6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.346 -1.473 -8.604 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.559 -0.182 -8.438 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.125 -0.793 -10.052 1.00 0.00 H new ATOM 1162 N ARG A 78 7.516 -1.978 -11.724 1.00 0.00 N ATOM 1163 CA ARG A 78 7.571 -1.778 -13.166 1.00 0.00 C ATOM 1164 C ARG A 78 6.440 -2.551 -13.844 1.00 0.00 C ATOM 1165 O ARG A 78 6.681 -3.522 -14.565 1.00 0.00 O ATOM 1166 CB ARG A 78 8.934 -2.212 -13.750 1.00 0.00 C ATOM 1167 CG ARG A 78 10.130 -1.345 -13.342 1.00 0.00 C ATOM 1168 CD ARG A 78 10.582 -1.583 -11.901 1.00 0.00 C ATOM 1169 NE ARG A 78 11.786 -0.808 -11.576 1.00 0.00 N ATOM 1170 CZ ARG A 78 12.313 -0.687 -10.353 1.00 0.00 C ATOM 1171 NH1 ARG A 78 11.745 -1.270 -9.308 1.00 0.00 N ATOM 1172 NH2 ARG A 78 13.411 0.032 -10.179 1.00 0.00 N ATOM 0 H ARG A 78 8.202 -2.641 -11.363 1.00 0.00 H new ATOM 0 HA ARG A 78 7.450 -0.712 -13.360 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.131 -3.240 -13.444 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.861 -2.212 -14.838 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.963 -1.546 -14.015 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.868 -0.294 -13.465 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.778 -1.310 -11.217 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.781 -2.644 -11.752 1.00 0.00 H new ATOM 0 HE ARG A 78 12.256 -0.325 -12.342 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.895 -1.820 -9.430 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.158 -1.169 -8.381 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.852 0.491 -10.976 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.816 0.127 -9.248 1.00 0.00 H new ATOM 1186 N LYS A 79 5.203 -2.125 -13.566 1.00 0.00 N ATOM 1187 CA LYS A 79 3.983 -2.756 -14.093 1.00 0.00 C ATOM 1188 C LYS A 79 3.701 -4.111 -13.425 1.00 0.00 C ATOM 1189 O LYS A 79 2.539 -4.485 -13.244 1.00 0.00 O ATOM 1190 CB LYS A 79 4.032 -2.895 -15.623 1.00 0.00 C ATOM 1191 CG LYS A 79 4.086 -1.552 -16.353 1.00 0.00 C ATOM 1192 CD LYS A 79 3.911 -1.710 -17.862 1.00 0.00 C ATOM 1193 CE LYS A 79 2.551 -2.303 -18.218 1.00 0.00 C ATOM 1194 NZ LYS A 79 2.346 -2.371 -19.688 1.00 0.00 N ATOM 0 H LYS A 79 5.016 -1.324 -12.963 1.00 0.00 H new ATOM 0 HA LYS A 79 3.155 -2.092 -13.845 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.906 -3.486 -15.899 1.00 0.00 H new ATOM 0 HB3 LYS A 79 3.154 -3.448 -15.959 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.306 -0.897 -15.965 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.040 -1.067 -16.148 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.021 -0.738 -18.344 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.700 -2.351 -18.254 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.468 -3.303 -17.793 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.762 -1.699 -17.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.411 -2.779 -19.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.400 -1.414 -20.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.084 -2.968 -20.114 1.00 0.00 H new ATOM 1208 N ASP A 80 4.754 -4.848 -13.071 1.00 0.00 N ATOM 1209 CA ASP A 80 4.604 -6.081 -12.300 1.00 0.00 C ATOM 1210 C ASP A 80 4.316 -5.734 -10.843 1.00 0.00 C ATOM 1211 O ASP A 80 5.191 -5.246 -10.125 1.00 0.00 O ATOM 1212 CB ASP A 80 5.867 -6.955 -12.391 1.00 0.00 C ATOM 1213 CG ASP A 80 6.157 -7.448 -13.802 1.00 0.00 C ATOM 1214 OD1 ASP A 80 5.552 -8.459 -14.224 1.00 0.00 O ATOM 1215 OD2 ASP A 80 6.999 -6.832 -14.492 1.00 0.00 O ATOM 0 H ASP A 80 5.718 -4.613 -13.306 1.00 0.00 H new ATOM 0 HA ASP A 80 3.773 -6.650 -12.717 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.722 -6.384 -12.030 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.755 -7.814 -11.729 1.00 0.00 H new ATOM 1220 N LEU A 81 3.079 -5.966 -10.419 1.00 0.00 N ATOM 1221 CA LEU A 81 2.643 -5.635 -9.067 1.00 0.00 C ATOM 1222 C LEU A 81 1.852 -6.809 -8.489 1.00 0.00 C ATOM 1223 O LEU A 81 0.772 -7.137 -8.981 1.00 0.00 O ATOM 1224 CB LEU A 81 1.791 -4.345 -9.107 1.00 0.00 C ATOM 1225 CG LEU A 81 1.423 -3.701 -7.751 1.00 0.00 C ATOM 1226 CD1 LEU A 81 0.889 -2.284 -7.960 1.00 0.00 C ATOM 1227 CD2 LEU A 81 0.394 -4.539 -6.993 1.00 0.00 C ATOM 0 H LEU A 81 2.353 -6.387 -10.999 1.00 0.00 H new ATOM 0 HA LEU A 81 3.504 -5.455 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.328 -3.604 -9.699 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.865 -4.567 -9.638 1.00 0.00 H new ATOM 0 HG LEU A 81 2.332 -3.657 -7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.635 -1.845 -6.995 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.652 -1.676 -8.446 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.001 -2.320 -8.588 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.159 -4.056 -6.045 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.514 -4.628 -7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.802 -5.532 -6.803 1.00 0.00 H new ATOM 1239 N VAL A 82 2.399 -7.446 -7.454 1.00 0.00 N ATOM 1240 CA VAL A 82 1.747 -8.596 -6.829 1.00 0.00 C ATOM 1241 C VAL A 82 1.548 -8.365 -5.328 1.00 0.00 C ATOM 1242 O VAL A 82 2.429 -8.666 -4.524 1.00 0.00 O ATOM 1243 CB VAL A 82 2.561 -9.903 -7.044 1.00 0.00 C ATOM 1244 CG1 VAL A 82 1.838 -11.107 -6.439 1.00 0.00 C ATOM 1245 CG2 VAL A 82 2.845 -10.131 -8.528 1.00 0.00 C ATOM 0 H VAL A 82 3.290 -7.186 -7.031 1.00 0.00 H new ATOM 0 HA VAL A 82 0.775 -8.708 -7.309 1.00 0.00 H new ATOM 0 HB VAL A 82 3.515 -9.790 -6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.430 -12.007 -6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.705 -10.951 -5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.863 -11.222 -6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.416 -11.051 -8.652 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.903 -10.212 -9.070 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.419 -9.292 -8.922 1.00 0.00 H new ATOM 1255 N TYR A 83 0.399 -7.800 -4.962 1.00 0.00 N ATOM 1256 CA TYR A 83 0.029 -7.642 -3.553 1.00 0.00 C ATOM 1257 C TYR A 83 -0.706 -8.888 -3.057 1.00 0.00 C ATOM 1258 O TYR A 83 -1.337 -9.606 -3.839 1.00 0.00 O ATOM 1259 CB TYR A 83 -0.860 -6.398 -3.342 1.00 0.00 C ATOM 1260 CG TYR A 83 -0.108 -5.103 -3.060 1.00 0.00 C ATOM 1261 CD1 TYR A 83 0.947 -4.682 -3.859 1.00 0.00 C ATOM 1262 CD2 TYR A 83 -0.462 -4.300 -1.980 1.00 0.00 C ATOM 1263 CE1 TYR A 83 1.622 -3.503 -3.594 1.00 0.00 C ATOM 1264 CE2 TYR A 83 0.205 -3.123 -1.708 1.00 0.00 C ATOM 1265 CZ TYR A 83 1.245 -2.728 -2.517 1.00 0.00 C ATOM 1266 OH TYR A 83 1.913 -1.555 -2.250 1.00 0.00 O ATOM 0 H TYR A 83 -0.293 -7.443 -5.620 1.00 0.00 H new ATOM 0 HA TYR A 83 0.947 -7.509 -2.981 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.475 -6.256 -4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.539 -6.593 -2.512 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.246 -5.286 -4.703 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.277 -4.605 -1.340 1.00 0.00 H new ATOM 0 HE1 TYR A 83 2.440 -3.191 -4.227 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.088 -2.515 -0.865 1.00 0.00 H new ATOM 0 HH TYR A 83 2.639 -1.729 -1.615 1.00 0.00 H new ATOM 1276 N THR A 84 -0.607 -9.136 -1.760 1.00 0.00 N ATOM 1277 CA THR A 84 -1.272 -10.252 -1.101 1.00 0.00 C ATOM 1278 C THR A 84 -1.462 -9.918 0.378 1.00 0.00 C ATOM 1279 O THR A 84 -0.489 -9.686 1.094 1.00 0.00 O ATOM 1280 CB THR A 84 -0.451 -11.565 -1.226 1.00 0.00 C ATOM 1281 OG1 THR A 84 -0.345 -11.965 -2.605 1.00 0.00 O ATOM 1282 CG2 THR A 84 -1.084 -12.693 -0.413 1.00 0.00 C ATOM 0 H THR A 84 -0.054 -8.560 -1.125 1.00 0.00 H new ATOM 0 HA THR A 84 -2.235 -10.408 -1.588 1.00 0.00 H new ATOM 0 HB THR A 84 0.546 -11.369 -0.830 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.790 -11.302 -3.173 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.487 -13.598 -0.521 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.123 -12.407 0.638 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.095 -12.880 -0.776 1.00 0.00 H new ATOM 1290 N LYS A 85 -2.709 -9.855 0.832 1.00 0.00 N ATOM 1291 CA LYS A 85 -2.984 -9.557 2.232 1.00 0.00 C ATOM 1292 C LYS A 85 -3.063 -10.848 3.041 1.00 0.00 C ATOM 1293 O LYS A 85 -3.713 -11.814 2.631 1.00 0.00 O ATOM 1294 CB LYS A 85 -4.272 -8.711 2.372 1.00 0.00 C ATOM 1295 CG LYS A 85 -5.583 -9.412 1.987 1.00 0.00 C ATOM 1296 CD LYS A 85 -6.212 -10.164 3.165 1.00 0.00 C ATOM 1297 CE LYS A 85 -7.594 -10.707 2.822 1.00 0.00 C ATOM 1298 NZ LYS A 85 -7.564 -11.645 1.668 1.00 0.00 N ATOM 0 H LYS A 85 -3.538 -10.005 0.257 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.163 -8.962 2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.352 -8.376 3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.166 -7.819 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.291 -8.672 1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.392 -10.112 1.173 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.561 -10.988 3.459 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.287 -9.496 4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.007 -11.218 3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.262 -9.876 2.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -8.511 -12.052 1.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.276 -11.131 0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.884 -12.408 1.859 1.00 0.00 H new ATOM 1312 N ALA A 86 -2.367 -10.875 4.172 1.00 0.00 N ATOM 1313 CA ALA A 86 -2.415 -12.017 5.078 1.00 0.00 C ATOM 1314 C ALA A 86 -3.428 -11.753 6.183 1.00 0.00 C ATOM 1315 O ALA A 86 -4.072 -12.672 6.693 1.00 0.00 O ATOM 1316 CB ALA A 86 -1.036 -12.299 5.665 1.00 0.00 C ATOM 0 H ALA A 86 -1.761 -10.116 4.484 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.726 -12.899 4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.095 -13.155 6.338 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.336 -12.519 4.859 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.690 -11.426 6.218 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.569 -10.478 6.530 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.508 -10.036 7.558 1.00 0.00 C ATOM 1324 C ASN A 87 -5.108 -8.698 7.149 1.00 0.00 C ATOM 1325 O ASN A 87 -4.523 -7.987 6.329 1.00 0.00 O ATOM 1326 CB ASN A 87 -3.802 -9.894 8.918 1.00 0.00 C ATOM 1327 CG ASN A 87 -3.411 -11.227 9.530 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -4.189 -11.834 10.268 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -2.206 -11.689 9.236 1.00 0.00 N ATOM 0 H ASN A 87 -3.035 -9.719 6.106 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.297 -10.782 7.657 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.908 -9.282 8.794 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.459 -9.363 9.608 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.892 -12.578 9.625 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.592 -11.156 8.621 1.00 0.00 H new ATOM 1336 N PRO A 88 -6.277 -8.325 7.705 1.00 0.00 N ATOM 1337 CA PRO A 88 -6.889 -7.015 7.439 1.00 0.00 C ATOM 1338 C PRO A 88 -5.934 -5.868 7.773 1.00 0.00 C ATOM 1339 O PRO A 88 -6.001 -4.797 7.178 1.00 0.00 O ATOM 1340 CB PRO A 88 -8.115 -6.992 8.364 1.00 0.00 C ATOM 1341 CG PRO A 88 -8.430 -8.429 8.608 1.00 0.00 C ATOM 1342 CD PRO A 88 -7.107 -9.145 8.611 1.00 0.00 C ATOM 0 HA PRO A 88 -7.144 -6.883 6.387 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.898 -6.470 9.296 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -8.954 -6.476 7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.947 -8.560 9.558 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.086 -8.823 7.831 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.679 -9.197 9.612 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.203 -10.170 8.252 1.00 0.00 H new ATOM 1350 N THR A 89 -5.041 -6.119 8.725 1.00 0.00 N ATOM 1351 CA THR A 89 -4.077 -5.123 9.180 1.00 0.00 C ATOM 1352 C THR A 89 -2.652 -5.470 8.731 1.00 0.00 C ATOM 1353 O THR A 89 -1.680 -4.911 9.243 1.00 0.00 O ATOM 1354 CB THR A 89 -4.125 -5.011 10.719 1.00 0.00 C ATOM 1355 OG1 THR A 89 -4.145 -6.328 11.293 1.00 0.00 O ATOM 1356 CG2 THR A 89 -5.355 -4.233 11.180 1.00 0.00 C ATOM 0 H THR A 89 -4.965 -7.017 9.202 1.00 0.00 H new ATOM 0 HA THR A 89 -4.348 -4.167 8.732 1.00 0.00 H new ATOM 0 HB THR A 89 -3.238 -4.472 11.051 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.174 -6.259 12.270 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.360 -4.172 12.268 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.328 -3.228 10.760 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.256 -4.744 10.841 1.00 0.00 H new ATOM 1364 N PHE A 90 -2.527 -6.371 7.757 1.00 0.00 N ATOM 1365 CA PHE A 90 -1.216 -6.796 7.269 1.00 0.00 C ATOM 1366 C PHE A 90 -1.293 -7.207 5.797 1.00 0.00 C ATOM 1367 O PHE A 90 -1.843 -8.264 5.462 1.00 0.00 O ATOM 1368 CB PHE A 90 -0.673 -7.958 8.126 1.00 0.00 C ATOM 1369 CG PHE A 90 0.712 -8.428 7.732 1.00 0.00 C ATOM 1370 CD1 PHE A 90 0.878 -9.400 6.754 1.00 0.00 C ATOM 1371 CD2 PHE A 90 1.848 -7.898 8.338 1.00 0.00 C ATOM 1372 CE1 PHE A 90 2.137 -9.834 6.390 1.00 0.00 C ATOM 1373 CE2 PHE A 90 3.110 -8.330 7.974 1.00 0.00 C ATOM 1374 CZ PHE A 90 3.254 -9.298 7.000 1.00 0.00 C ATOM 0 H PHE A 90 -3.316 -6.820 7.291 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.530 -5.953 7.353 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.655 -7.646 9.170 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.363 -8.799 8.056 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.009 -9.823 6.271 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.742 -7.141 9.101 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.248 -10.592 5.629 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.983 -7.910 8.452 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.240 -9.636 6.715 1.00 0.00 H new ATOM 1384 N HIS A 91 -0.746 -6.362 4.929 1.00 0.00 N ATOM 1385 CA HIS A 91 -0.696 -6.628 3.490 1.00 0.00 C ATOM 1386 C HIS A 91 0.770 -6.650 3.051 1.00 0.00 C ATOM 1387 O HIS A 91 1.577 -5.875 3.559 1.00 0.00 O ATOM 1388 CB HIS A 91 -1.475 -5.536 2.729 1.00 0.00 C ATOM 1389 CG HIS A 91 -2.033 -5.960 1.397 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -3.369 -5.858 1.065 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -1.420 -6.479 0.299 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -3.521 -6.311 -0.182 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -2.370 -6.700 -0.691 1.00 0.00 N ATOM 0 H HIS A 91 -0.324 -5.474 5.200 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.156 -7.591 3.267 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -2.297 -5.193 3.357 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.815 -4.682 2.574 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -4.110 -5.499 1.667 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.364 -6.686 0.211 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -4.465 -6.353 -0.705 1.00 0.00 H new ATOM 1401 N HIS A 92 1.122 -7.546 2.136 1.00 0.00 N ATOM 1402 CA HIS A 92 2.504 -7.658 1.661 1.00 0.00 C ATOM 1403 C HIS A 92 2.535 -7.860 0.151 1.00 0.00 C ATOM 1404 O HIS A 92 1.588 -8.390 -0.427 1.00 0.00 O ATOM 1405 CB HIS A 92 3.231 -8.812 2.371 1.00 0.00 C ATOM 1406 CG HIS A 92 2.558 -10.143 2.228 1.00 0.00 C ATOM 1407 ND1 HIS A 92 2.851 -11.049 1.235 1.00 0.00 N ATOM 1408 CD2 HIS A 92 1.595 -10.724 2.990 1.00 0.00 C ATOM 1409 CE1 HIS A 92 2.079 -12.126 1.420 1.00 0.00 C ATOM 1410 NE2 HIS A 92 1.298 -11.979 2.472 1.00 0.00 N ATOM 0 H HIS A 92 0.474 -8.206 1.706 1.00 0.00 H new ATOM 0 HA HIS A 92 3.022 -6.729 1.897 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.244 -8.886 1.976 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.318 -8.574 3.431 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.134 -10.281 3.860 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.094 -13.002 0.789 1.00 0.00 H new ATOM 0 HE2 HIS A 92 0.617 -12.648 2.831 1.00 0.00 H new ATOM 1418 N TRP A 93 3.619 -7.433 -0.492 1.00 0.00 N ATOM 1419 CA TRP A 93 3.750 -7.559 -1.939 1.00 0.00 C ATOM 1420 C TRP A 93 5.055 -8.257 -2.318 1.00 0.00 C ATOM 1421 O TRP A 93 6.082 -8.100 -1.651 1.00 0.00 O ATOM 1422 CB TRP A 93 3.640 -6.187 -2.623 1.00 0.00 C ATOM 1423 CG TRP A 93 4.711 -5.200 -2.248 1.00 0.00 C ATOM 1424 CD1 TRP A 93 5.932 -5.043 -2.841 1.00 0.00 C ATOM 1425 CD2 TRP A 93 4.646 -4.216 -1.207 1.00 0.00 C ATOM 1426 NE1 TRP A 93 6.624 -4.028 -2.235 1.00 0.00 N ATOM 1427 CE2 TRP A 93 5.860 -3.504 -1.229 1.00 0.00 C ATOM 1428 CE3 TRP A 93 3.681 -3.867 -0.260 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 6.132 -2.467 -0.341 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 3.953 -2.838 0.622 1.00 0.00 C ATOM 1431 CH2 TRP A 93 5.170 -2.147 0.576 1.00 0.00 C ATOM 0 H TRP A 93 4.419 -6.997 -0.033 1.00 0.00 H new ATOM 0 HA TRP A 93 2.927 -8.179 -2.294 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.665 -6.334 -3.703 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.669 -5.755 -2.382 1.00 0.00 H new ATOM 0 HD1 TRP A 93 6.298 -5.634 -3.668 1.00 0.00 H new ATOM 0 HE1 TRP A 93 7.559 -3.713 -2.493 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.738 -4.392 -0.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 7.071 -1.934 -0.375 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.214 -2.562 1.360 1.00 0.00 H new ATOM 0 HH2 TRP A 93 5.352 -1.347 1.278 1.00 0.00 H new ATOM 1442 N LYS A 94 4.992 -9.033 -3.392 1.00 0.00 N ATOM 1443 CA LYS A 94 6.117 -9.834 -3.860 1.00 0.00 C ATOM 1444 C LYS A 94 6.942 -9.046 -4.875 1.00 0.00 C ATOM 1445 O LYS A 94 6.382 -8.434 -5.788 1.00 0.00 O ATOM 1446 CB LYS A 94 5.584 -11.120 -4.509 1.00 0.00 C ATOM 1447 CG LYS A 94 6.660 -12.133 -4.894 1.00 0.00 C ATOM 1448 CD LYS A 94 6.089 -13.265 -5.752 1.00 0.00 C ATOM 1449 CE LYS A 94 4.894 -13.950 -5.091 1.00 0.00 C ATOM 1450 NZ LYS A 94 4.307 -15.004 -5.964 1.00 0.00 N ATOM 0 H LYS A 94 4.154 -9.125 -3.967 1.00 0.00 H new ATOM 0 HA LYS A 94 6.756 -10.086 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.886 -11.596 -3.821 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.019 -10.853 -5.402 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.457 -11.628 -5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.107 -12.550 -3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 94 5.786 -12.866 -6.720 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.869 -14.003 -5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.207 -14.394 -4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.132 -13.206 -4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.499 -15.445 -5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.985 -14.577 -6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.026 -15.727 -6.166 1.00 0.00 H new ATOM 1464 N VAL A 95 8.264 -9.059 -4.712 1.00 0.00 N ATOM 1465 CA VAL A 95 9.170 -8.397 -5.648 1.00 0.00 C ATOM 1466 C VAL A 95 10.351 -9.309 -5.999 1.00 0.00 C ATOM 1467 O VAL A 95 11.432 -9.223 -5.408 1.00 0.00 O ATOM 1468 CB VAL A 95 9.678 -7.028 -5.107 1.00 0.00 C ATOM 1469 CG1 VAL A 95 8.563 -5.982 -5.154 1.00 0.00 C ATOM 1470 CG2 VAL A 95 10.216 -7.168 -3.684 1.00 0.00 C ATOM 0 H VAL A 95 8.733 -9.524 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 95 8.600 -8.195 -6.555 1.00 0.00 H new ATOM 0 HB VAL A 95 10.494 -6.695 -5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 95 8.938 -5.033 -4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.229 -5.852 -6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.726 -6.315 -4.540 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.564 -6.198 -3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.423 -7.530 -3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.045 -7.876 -3.676 1.00 0.00 H new ATOM 1480 N ASP A 96 10.100 -10.210 -6.945 1.00 0.00 N ATOM 1481 CA ASP A 96 11.099 -11.154 -7.449 1.00 0.00 C ATOM 1482 C ASP A 96 11.644 -12.056 -6.336 1.00 0.00 C ATOM 1483 O ASP A 96 11.149 -13.167 -6.133 1.00 0.00 O ATOM 1484 CB ASP A 96 12.250 -10.425 -8.163 1.00 0.00 C ATOM 1485 CG ASP A 96 13.211 -11.389 -8.847 1.00 0.00 C ATOM 1486 OD1 ASP A 96 12.961 -11.756 -10.017 1.00 0.00 O ATOM 1487 OD2 ASP A 96 14.217 -11.790 -8.224 1.00 0.00 O ATOM 0 H ASP A 96 9.187 -10.308 -7.390 1.00 0.00 H new ATOM 0 HA ASP A 96 10.594 -11.790 -8.176 1.00 0.00 H new ATOM 0 HB2 ASP A 96 11.838 -9.739 -8.904 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.798 -9.821 -7.440 1.00 0.00 H new ATOM 1492 N ASN A 97 12.648 -11.570 -5.609 1.00 0.00 N ATOM 1493 CA ASN A 97 13.306 -12.362 -4.567 1.00 0.00 C ATOM 1494 C ASN A 97 12.770 -11.996 -3.189 1.00 0.00 C ATOM 1495 O ASN A 97 12.429 -12.872 -2.393 1.00 0.00 O ATOM 1496 CB ASN A 97 14.835 -12.162 -4.610 1.00 0.00 C ATOM 1497 CG ASN A 97 15.580 -13.400 -5.087 1.00 0.00 C ATOM 1498 OD1 ASN A 97 15.946 -14.266 -4.291 1.00 0.00 O ATOM 1499 ND2 ASN A 97 15.814 -13.491 -6.385 1.00 0.00 N ATOM 0 H ASN A 97 13.026 -10.629 -5.721 1.00 0.00 H new ATOM 0 HA ASN A 97 13.087 -13.412 -4.758 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.069 -11.326 -5.270 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.189 -11.891 -3.615 1.00 0.00 H new ATOM 0 HD21 ASN A 97 16.313 -14.299 -6.758 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.495 -12.754 -7.014 1.00 0.00 H new ATOM 1506 N ARG A 98 12.705 -10.700 -2.906 1.00 0.00 N ATOM 1507 CA ARG A 98 12.232 -10.224 -1.613 1.00 0.00 C ATOM 1508 C ARG A 98 10.716 -10.056 -1.617 1.00 0.00 C ATOM 1509 O ARG A 98 10.054 -10.247 -2.643 1.00 0.00 O ATOM 1510 CB ARG A 98 12.925 -8.900 -1.239 1.00 0.00 C ATOM 1511 CG ARG A 98 14.237 -9.076 -0.473 1.00 0.00 C ATOM 1512 CD ARG A 98 15.256 -9.915 -1.235 1.00 0.00 C ATOM 1513 NE ARG A 98 16.445 -10.177 -0.425 1.00 0.00 N ATOM 1514 CZ ARG A 98 17.428 -11.009 -0.764 1.00 0.00 C ATOM 1515 NH1 ARG A 98 17.413 -11.636 -1.934 1.00 0.00 N ATOM 1516 NH2 ARG A 98 18.439 -11.199 0.068 1.00 0.00 N ATOM 0 H ARG A 98 12.974 -9.961 -3.555 1.00 0.00 H new ATOM 0 HA ARG A 98 12.487 -10.971 -0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 98 13.122 -8.335 -2.150 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.242 -8.303 -0.635 1.00 0.00 H new ATOM 0 HG2 ARG A 98 14.664 -8.096 -0.263 1.00 0.00 H new ATOM 0 HG3 ARG A 98 14.031 -9.547 0.488 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.802 -10.860 -1.533 1.00 0.00 H new ATOM 0 HD3 ARG A 98 15.544 -9.397 -2.150 1.00 0.00 H new ATOM 0 HE ARG A 98 16.528 -9.686 0.465 1.00 0.00 H new ATOM 0 HH11 ARG A 98 16.643 -11.483 -2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 98 18.172 -12.271 -2.182 1.00 0.00 H new ATOM 0 HH21 ARG A 98 18.462 -10.710 0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 98 19.195 -11.835 -0.185 1.00 0.00 H new ATOM 1530 N LYS A 99 10.177 -9.702 -0.460 1.00 0.00 N ATOM 1531 CA LYS A 99 8.744 -9.538 -0.288 1.00 0.00 C ATOM 1532 C LYS A 99 8.491 -8.562 0.854 1.00 0.00 C ATOM 1533 O LYS A 99 8.670 -8.904 2.024 1.00 0.00 O ATOM 1534 CB LYS A 99 8.090 -10.899 -0.006 1.00 0.00 C ATOM 1535 CG LYS A 99 6.565 -10.868 0.067 1.00 0.00 C ATOM 1536 CD LYS A 99 5.981 -12.273 0.224 1.00 0.00 C ATOM 1537 CE LYS A 99 6.354 -13.177 -0.949 1.00 0.00 C ATOM 1538 NZ LYS A 99 5.880 -14.572 -0.756 1.00 0.00 N ATOM 0 H LYS A 99 10.721 -9.521 0.384 1.00 0.00 H new ATOM 0 HA LYS A 99 8.302 -9.137 -1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.389 -11.600 -0.785 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.478 -11.286 0.936 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.253 -10.247 0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.166 -10.406 -0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.342 -12.715 1.153 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.896 -12.209 0.303 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.926 -12.773 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.437 -13.177 -1.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.156 -15.149 -1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.308 -14.968 0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.844 -14.577 -0.662 1.00 0.00 H new ATOM 1552 N PHE A 100 8.116 -7.337 0.506 1.00 0.00 N ATOM 1553 CA PHE A 100 7.909 -6.289 1.501 1.00 0.00 C ATOM 1554 C PHE A 100 6.443 -6.267 1.911 1.00 0.00 C ATOM 1555 O PHE A 100 5.641 -7.046 1.395 1.00 0.00 O ATOM 1556 CB PHE A 100 8.315 -4.914 0.947 1.00 0.00 C ATOM 1557 CG PHE A 100 9.587 -4.915 0.128 1.00 0.00 C ATOM 1558 CD1 PHE A 100 10.713 -5.615 0.546 1.00 0.00 C ATOM 1559 CD2 PHE A 100 9.651 -4.209 -1.066 1.00 0.00 C ATOM 1560 CE1 PHE A 100 11.869 -5.610 -0.212 1.00 0.00 C ATOM 1561 CE2 PHE A 100 10.803 -4.202 -1.824 1.00 0.00 C ATOM 1562 CZ PHE A 100 11.914 -4.903 -1.398 1.00 0.00 C ATOM 0 H PHE A 100 7.949 -7.044 -0.457 1.00 0.00 H new ATOM 0 HA PHE A 100 8.534 -6.503 2.368 1.00 0.00 H new ATOM 0 HB2 PHE A 100 7.502 -4.531 0.330 1.00 0.00 H new ATOM 0 HB3 PHE A 100 8.436 -4.222 1.781 1.00 0.00 H new ATOM 0 HD1 PHE A 100 10.684 -6.169 1.473 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.787 -3.658 -1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 100 12.737 -6.159 0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 100 10.836 -3.648 -2.751 1.00 0.00 H new ATOM 0 HZ PHE A 100 12.817 -4.898 -1.991 1.00 0.00 H new ATOM 1572 N GLY A 101 6.090 -5.378 2.827 1.00 0.00 N ATOM 1573 CA GLY A 101 4.711 -5.272 3.260 1.00 0.00 C ATOM 1574 C GLY A 101 4.466 -4.032 4.084 1.00 0.00 C ATOM 1575 O GLY A 101 5.394 -3.266 4.353 1.00 0.00 O ATOM 0 H GLY A 101 6.733 -4.728 3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 101 4.058 -5.261 2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.447 -6.153 3.845 1.00 0.00 H new ATOM 1579 N LEU A 102 3.217 -3.829 4.481 1.00 0.00 N ATOM 1580 CA LEU A 102 2.849 -2.709 5.330 1.00 0.00 C ATOM 1581 C LEU A 102 1.780 -3.140 6.332 1.00 0.00 C ATOM 1582 O LEU A 102 0.815 -3.823 5.973 1.00 0.00 O ATOM 1583 CB LEU A 102 2.363 -1.501 4.497 1.00 0.00 C ATOM 1584 CG LEU A 102 1.002 -1.649 3.783 1.00 0.00 C ATOM 1585 CD1 LEU A 102 0.576 -0.322 3.163 1.00 0.00 C ATOM 1586 CD2 LEU A 102 1.048 -2.740 2.715 1.00 0.00 C ATOM 0 H LEU A 102 2.436 -4.433 4.224 1.00 0.00 H new ATOM 0 HA LEU A 102 3.738 -2.392 5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.308 -0.634 5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.120 -1.282 3.744 1.00 0.00 H new ATOM 0 HG LEU A 102 0.266 -1.942 4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.385 -0.445 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.485 0.432 3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.323 -0.003 2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.074 -2.818 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.803 -2.489 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.300 -3.693 3.179 1.00 0.00 H new ATOM 1598 N THR A 103 1.985 -2.777 7.591 1.00 0.00 N ATOM 1599 CA THR A 103 1.021 -3.063 8.644 1.00 0.00 C ATOM 1600 C THR A 103 0.086 -1.869 8.819 1.00 0.00 C ATOM 1601 O THR A 103 0.548 -0.736 8.971 1.00 0.00 O ATOM 1602 CB THR A 103 1.732 -3.366 9.984 1.00 0.00 C ATOM 1603 OG1 THR A 103 2.743 -4.368 9.788 1.00 0.00 O ATOM 1604 CG2 THR A 103 0.742 -3.842 11.043 1.00 0.00 C ATOM 0 H THR A 103 2.817 -2.280 7.909 1.00 0.00 H new ATOM 0 HA THR A 103 0.448 -3.944 8.354 1.00 0.00 H new ATOM 0 HB THR A 103 2.192 -2.442 10.335 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.619 -3.937 9.700 1.00 0.00 H new ATOM 0 HG21 THR A 103 1.274 -4.046 11.972 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.006 -3.068 11.215 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.250 -4.752 10.699 1.00 0.00 H new ATOM 1612 N PHE A 104 -1.215 -2.125 8.772 1.00 0.00 N ATOM 1613 CA PHE A 104 -2.215 -1.073 8.922 1.00 0.00 C ATOM 1614 C PHE A 104 -2.523 -0.847 10.398 1.00 0.00 C ATOM 1615 O PHE A 104 -2.306 -1.736 11.230 1.00 0.00 O ATOM 1616 CB PHE A 104 -3.494 -1.445 8.166 1.00 0.00 C ATOM 1617 CG PHE A 104 -3.273 -1.705 6.698 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -3.000 -0.659 5.831 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -3.343 -2.994 6.185 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -2.800 -0.893 4.484 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -3.145 -3.231 4.841 1.00 0.00 C ATOM 1622 CZ PHE A 104 -2.873 -2.180 3.989 1.00 0.00 C ATOM 0 H PHE A 104 -1.605 -3.057 8.630 1.00 0.00 H new ATOM 0 HA PHE A 104 -1.817 -0.150 8.501 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.930 -2.334 8.622 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.220 -0.640 8.279 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.943 0.350 6.212 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.555 -3.821 6.847 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.587 -0.070 3.819 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.203 -4.238 4.456 1.00 0.00 H new ATOM 0 HZ PHE A 104 -2.717 -2.364 2.936 1.00 0.00 H new ATOM 1632 N GLN A 105 -3.028 0.337 10.722 1.00 0.00 N ATOM 1633 CA GLN A 105 -3.314 0.691 12.109 1.00 0.00 C ATOM 1634 C GLN A 105 -4.809 0.602 12.408 1.00 0.00 C ATOM 1635 O GLN A 105 -5.199 0.247 13.523 1.00 0.00 O ATOM 1636 CB GLN A 105 -2.782 2.098 12.444 1.00 0.00 C ATOM 1637 CG GLN A 105 -1.253 2.186 12.525 1.00 0.00 C ATOM 1638 CD GLN A 105 -0.572 2.355 11.172 1.00 0.00 C ATOM 1639 OE1 GLN A 105 -1.094 1.956 10.137 1.00 0.00 O ATOM 1640 NE2 GLN A 105 0.625 2.925 11.184 1.00 0.00 N ATOM 0 H GLN A 105 -3.248 1.068 10.045 1.00 0.00 H new ATOM 0 HA GLN A 105 -2.798 -0.031 12.742 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.136 2.798 11.687 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.205 2.417 13.397 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -0.980 3.025 13.165 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -0.872 1.283 13.003 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.029 3.245 12.064 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.142 3.043 10.313 1.00 0.00 H new ATOM 1649 N SER A 106 -5.647 0.917 11.424 1.00 0.00 N ATOM 1650 CA SER A 106 -7.096 0.897 11.621 1.00 0.00 C ATOM 1651 C SER A 106 -7.800 0.272 10.413 1.00 0.00 C ATOM 1652 O SER A 106 -7.359 0.442 9.279 1.00 0.00 O ATOM 1653 CB SER A 106 -7.609 2.326 11.848 1.00 0.00 C ATOM 1654 OG SER A 106 -6.819 3.005 12.811 1.00 0.00 O ATOM 0 H SER A 106 -5.351 1.188 10.486 1.00 0.00 H new ATOM 0 HA SER A 106 -7.319 0.290 12.499 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.593 2.875 10.907 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.646 2.295 12.181 1.00 0.00 H new ATOM 0 HG SER A 106 -7.165 3.913 12.936 1.00 0.00 H new ATOM 1660 N PRO A 107 -8.905 -0.470 10.641 1.00 0.00 N ATOM 1661 CA PRO A 107 -9.702 -1.064 9.553 1.00 0.00 C ATOM 1662 C PRO A 107 -10.126 -0.029 8.504 1.00 0.00 C ATOM 1663 O PRO A 107 -10.441 -0.381 7.365 1.00 0.00 O ATOM 1664 CB PRO A 107 -10.925 -1.640 10.280 1.00 0.00 C ATOM 1665 CG PRO A 107 -10.442 -1.905 11.666 1.00 0.00 C ATOM 1666 CD PRO A 107 -9.455 -0.809 11.970 1.00 0.00 C ATOM 0 HA PRO A 107 -9.137 -1.809 8.993 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.757 -0.936 10.277 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.278 -2.553 9.801 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.268 -1.896 12.377 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -9.972 -2.886 11.736 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.938 0.050 12.437 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.676 -1.147 12.654 1.00 0.00 H new ATOM 1674 N ALA A 108 -10.141 1.244 8.901 1.00 0.00 N ATOM 1675 CA ALA A 108 -10.449 2.336 7.984 1.00 0.00 C ATOM 1676 C ALA A 108 -9.388 2.432 6.888 1.00 0.00 C ATOM 1677 O ALA A 108 -9.672 2.177 5.716 1.00 0.00 O ATOM 1678 CB ALA A 108 -10.558 3.656 8.744 1.00 0.00 C ATOM 0 H ALA A 108 -9.942 1.542 9.856 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.410 2.130 7.512 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.788 4.460 8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -11.352 3.583 9.488 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -9.612 3.868 9.242 1.00 0.00 H new ATOM 1684 N ASP A 109 -8.161 2.774 7.286 1.00 0.00 N ATOM 1685 CA ASP A 109 -7.046 2.899 6.344 1.00 0.00 C ATOM 1686 C ASP A 109 -6.756 1.560 5.677 1.00 0.00 C ATOM 1687 O ASP A 109 -6.431 1.507 4.489 1.00 0.00 O ATOM 1688 CB ASP A 109 -5.785 3.442 7.044 1.00 0.00 C ATOM 1689 CG ASP A 109 -5.461 2.735 8.357 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -4.778 1.692 8.342 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -5.893 3.235 9.419 1.00 0.00 O ATOM 0 H ASP A 109 -7.914 2.970 8.256 1.00 0.00 H new ATOM 0 HA ASP A 109 -7.335 3.614 5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.935 3.344 6.369 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.917 4.506 7.238 1.00 0.00 H new ATOM 1696 N ALA A 110 -6.895 0.487 6.447 1.00 0.00 N ATOM 1697 CA ALA A 110 -6.701 -0.865 5.940 1.00 0.00 C ATOM 1698 C ALA A 110 -7.601 -1.144 4.738 1.00 0.00 C ATOM 1699 O ALA A 110 -7.124 -1.285 3.611 1.00 0.00 O ATOM 1700 CB ALA A 110 -6.963 -1.880 7.046 1.00 0.00 C ATOM 0 H ALA A 110 -7.144 0.530 7.435 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.667 -0.957 5.608 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -6.816 -2.888 6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.273 -1.705 7.872 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -7.988 -1.775 7.401 1.00 0.00 H new ATOM 1706 N ARG A 111 -8.909 -1.187 4.983 1.00 0.00 N ATOM 1707 CA ARG A 111 -9.875 -1.533 3.944 1.00 0.00 C ATOM 1708 C ARG A 111 -9.844 -0.518 2.803 1.00 0.00 C ATOM 1709 O ARG A 111 -10.039 -0.876 1.639 1.00 0.00 O ATOM 1710 CB ARG A 111 -11.290 -1.631 4.533 1.00 0.00 C ATOM 1711 CG ARG A 111 -11.438 -2.722 5.590 1.00 0.00 C ATOM 1712 CD ARG A 111 -12.863 -2.806 6.130 1.00 0.00 C ATOM 1713 NE ARG A 111 -13.302 -1.543 6.738 1.00 0.00 N ATOM 1714 CZ ARG A 111 -14.502 -1.359 7.299 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -15.372 -2.359 7.359 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -14.834 -0.174 7.796 1.00 0.00 N ATOM 0 H ARG A 111 -9.324 -0.986 5.893 1.00 0.00 H new ATOM 0 HA ARG A 111 -9.597 -2.506 3.540 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.558 -0.671 4.974 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -11.998 -1.820 3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -11.156 -3.683 5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -10.750 -2.526 6.412 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -13.542 -3.072 5.320 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -12.923 -3.604 6.871 1.00 0.00 H new ATOM 0 HE ARG A 111 -12.651 -0.758 6.732 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -15.127 -3.272 6.976 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -16.286 -2.215 7.788 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -14.173 0.601 7.751 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -15.750 -0.039 8.223 1.00 0.00 H new ATOM 1730 N ALA A 112 -9.593 0.745 3.142 1.00 0.00 N ATOM 1731 CA ALA A 112 -9.491 1.801 2.138 1.00 0.00 C ATOM 1732 C ALA A 112 -8.325 1.522 1.189 1.00 0.00 C ATOM 1733 O ALA A 112 -8.452 1.663 -0.034 1.00 0.00 O ATOM 1734 CB ALA A 112 -9.325 3.162 2.807 1.00 0.00 C ATOM 0 H ALA A 112 -9.457 1.061 4.102 1.00 0.00 H new ATOM 0 HA ALA A 112 -10.413 1.816 1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -9.251 3.936 2.043 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -10.187 3.362 3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.419 3.162 3.413 1.00 0.00 H new ATOM 1740 N PHE A 113 -7.197 1.107 1.763 1.00 0.00 N ATOM 1741 CA PHE A 113 -6.005 0.807 0.982 1.00 0.00 C ATOM 1742 C PHE A 113 -6.229 -0.451 0.150 1.00 0.00 C ATOM 1743 O PHE A 113 -5.880 -0.488 -1.029 1.00 0.00 O ATOM 1744 CB PHE A 113 -4.784 0.640 1.901 1.00 0.00 C ATOM 1745 CG PHE A 113 -3.468 0.561 1.159 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -2.795 1.719 0.791 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -2.907 -0.666 0.829 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -1.592 1.654 0.110 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -1.706 -0.735 0.149 1.00 0.00 C ATOM 1750 CZ PHE A 113 -1.048 0.425 -0.211 1.00 0.00 C ATOM 0 H PHE A 113 -7.087 0.972 2.768 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.809 1.641 0.308 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.748 1.478 2.598 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.910 -0.264 2.496 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -3.216 2.682 1.039 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -3.416 -1.577 1.107 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.079 2.562 -0.170 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.282 -1.696 -0.101 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.109 0.371 -0.743 1.00 0.00 H new ATOM 1760 N ASP A 114 -6.829 -1.473 0.765 1.00 0.00 N ATOM 1761 CA ASP A 114 -7.154 -2.719 0.065 1.00 0.00 C ATOM 1762 C ASP A 114 -8.013 -2.437 -1.163 1.00 0.00 C ATOM 1763 O ASP A 114 -7.758 -2.961 -2.252 1.00 0.00 O ATOM 1764 CB ASP A 114 -7.896 -3.705 0.984 1.00 0.00 C ATOM 1765 CG ASP A 114 -6.988 -4.406 1.985 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -6.102 -5.177 1.554 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -7.182 -4.220 3.206 1.00 0.00 O ATOM 0 H ASP A 114 -7.100 -1.462 1.748 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.211 -3.170 -0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -8.674 -3.168 1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.395 -4.456 0.371 1.00 0.00 H new ATOM 1772 N ARG A 115 -9.034 -1.603 -0.985 1.00 0.00 N ATOM 1773 CA ARG A 115 -9.913 -1.239 -2.088 1.00 0.00 C ATOM 1774 C ARG A 115 -9.133 -0.434 -3.126 1.00 0.00 C ATOM 1775 O ARG A 115 -9.370 -0.556 -4.332 1.00 0.00 O ATOM 1776 CB ARG A 115 -11.129 -0.442 -1.588 1.00 0.00 C ATOM 1777 CG ARG A 115 -12.186 -0.225 -2.668 1.00 0.00 C ATOM 1778 CD ARG A 115 -12.780 -1.548 -3.146 1.00 0.00 C ATOM 1779 NE ARG A 115 -13.523 -1.408 -4.401 1.00 0.00 N ATOM 1780 CZ ARG A 115 -14.030 -2.439 -5.085 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -13.993 -3.662 -4.569 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -14.606 -2.244 -6.265 1.00 0.00 N ATOM 0 H ARG A 115 -9.271 -1.170 -0.092 1.00 0.00 H new ATOM 0 HA ARG A 115 -10.284 -2.153 -2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -11.580 -0.968 -0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.794 0.526 -1.216 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -12.980 0.411 -2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -11.741 0.301 -3.513 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -11.979 -2.275 -3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -13.443 -1.944 -2.377 1.00 0.00 H new ATOM 0 HE ARG A 115 -13.662 -0.469 -4.775 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -13.578 -3.815 -3.650 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -14.380 -4.448 -5.091 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -14.664 -1.303 -6.655 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -14.991 -3.035 -6.782 1.00 0.00 H new ATOM 1796 N GLY A 116 -8.191 0.376 -2.644 1.00 0.00 N ATOM 1797 CA GLY A 116 -7.301 1.104 -3.532 1.00 0.00 C ATOM 1798 C GLY A 116 -6.453 0.160 -4.365 1.00 0.00 C ATOM 1799 O GLY A 116 -6.213 0.406 -5.547 1.00 0.00 O ATOM 0 H GLY A 116 -8.029 0.540 -1.650 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -7.887 1.746 -4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -6.653 1.756 -2.946 1.00 0.00 H new ATOM 1803 N VAL A 117 -6.009 -0.933 -3.739 1.00 0.00 N ATOM 1804 CA VAL A 117 -5.247 -1.973 -4.428 1.00 0.00 C ATOM 1805 C VAL A 117 -6.102 -2.595 -5.527 1.00 0.00 C ATOM 1806 O VAL A 117 -5.650 -2.764 -6.657 1.00 0.00 O ATOM 1807 CB VAL A 117 -4.767 -3.075 -3.440 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -4.053 -4.209 -4.176 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -3.856 -2.479 -2.369 1.00 0.00 C ATOM 0 H VAL A 117 -6.167 -1.120 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 117 -4.364 -1.511 -4.869 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.650 -3.492 -2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.730 -4.963 -3.458 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.735 -4.662 -4.895 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -3.184 -3.812 -4.701 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -3.531 -3.266 -1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.985 -2.027 -2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -4.401 -1.718 -1.810 1.00 0.00 H new ATOM 1819 N ARG A 118 -7.350 -2.908 -5.185 1.00 0.00 N ATOM 1820 CA ARG A 118 -8.320 -3.445 -6.141 1.00 0.00 C ATOM 1821 C ARG A 118 -8.421 -2.536 -7.369 1.00 0.00 C ATOM 1822 O ARG A 118 -8.269 -2.987 -8.511 1.00 0.00 O ATOM 1823 CB ARG A 118 -9.694 -3.571 -5.458 1.00 0.00 C ATOM 1824 CG ARG A 118 -10.836 -4.060 -6.358 1.00 0.00 C ATOM 1825 CD ARG A 118 -10.661 -5.512 -6.797 1.00 0.00 C ATOM 1826 NE ARG A 118 -9.792 -5.647 -7.969 1.00 0.00 N ATOM 1827 CZ ARG A 118 -9.074 -6.738 -8.248 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -9.011 -7.743 -7.382 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -8.412 -6.815 -9.391 1.00 0.00 N ATOM 0 H ARG A 118 -7.718 -2.797 -4.240 1.00 0.00 H new ATOM 0 HA ARG A 118 -7.989 -4.429 -6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.600 -4.256 -4.615 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.968 -2.598 -5.049 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -11.782 -3.957 -5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -10.896 -3.423 -7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -10.244 -6.089 -5.972 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -11.638 -5.939 -7.023 1.00 0.00 H new ATOM 0 HE ARG A 118 -9.732 -4.858 -8.612 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -9.513 -7.685 -6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -8.460 -8.573 -7.603 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -8.451 -6.043 -10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -7.863 -7.647 -9.607 1.00 0.00 H new ATOM 1843 N LYS A 119 -8.652 -1.251 -7.111 1.00 0.00 N ATOM 1844 CA LYS A 119 -8.811 -0.253 -8.167 1.00 0.00 C ATOM 1845 C LYS A 119 -7.538 -0.184 -9.021 1.00 0.00 C ATOM 1846 O LYS A 119 -7.598 -0.220 -10.254 1.00 0.00 O ATOM 1847 CB LYS A 119 -9.123 1.122 -7.535 1.00 0.00 C ATOM 1848 CG LYS A 119 -10.067 2.012 -8.350 1.00 0.00 C ATOM 1849 CD LYS A 119 -9.444 2.502 -9.656 1.00 0.00 C ATOM 1850 CE LYS A 119 -10.426 3.348 -10.462 1.00 0.00 C ATOM 1851 NZ LYS A 119 -9.851 3.806 -11.756 1.00 0.00 N ATOM 0 H LYS A 119 -8.734 -0.873 -6.167 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.641 -0.537 -8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.561 0.961 -6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -8.185 1.656 -7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -10.978 1.457 -8.574 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -10.358 2.872 -7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -8.552 3.088 -9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -9.125 1.647 -10.252 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -11.329 2.768 -10.654 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -10.723 4.215 -9.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -10.492 4.497 -12.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.926 4.250 -11.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -9.733 2.991 -12.391 1.00 0.00 H new ATOM 1865 N ALA A 120 -6.394 -0.108 -8.348 1.00 0.00 N ATOM 1866 CA ALA A 120 -5.100 -0.036 -9.020 1.00 0.00 C ATOM 1867 C ALA A 120 -4.894 -1.239 -9.938 1.00 0.00 C ATOM 1868 O ALA A 120 -4.528 -1.084 -11.101 1.00 0.00 O ATOM 1869 CB ALA A 120 -3.977 0.052 -7.992 1.00 0.00 C ATOM 0 H ALA A 120 -6.337 -0.095 -7.330 1.00 0.00 H new ATOM 0 HA ALA A 120 -5.083 0.863 -9.635 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.017 0.105 -8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -4.112 0.945 -7.381 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.998 -0.831 -7.353 1.00 0.00 H new ATOM 1875 N ILE A 121 -5.156 -2.435 -9.410 1.00 0.00 N ATOM 1876 CA ILE A 121 -5.004 -3.670 -10.177 1.00 0.00 C ATOM 1877 C ILE A 121 -5.854 -3.619 -11.443 1.00 0.00 C ATOM 1878 O ILE A 121 -5.399 -4.003 -12.522 1.00 0.00 O ATOM 1879 CB ILE A 121 -5.389 -4.919 -9.337 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -4.423 -5.088 -8.148 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -5.398 -6.180 -10.203 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -4.764 -6.255 -7.242 1.00 0.00 C ATOM 0 H ILE A 121 -5.475 -2.574 -8.451 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.952 -3.756 -10.450 1.00 0.00 H new ATOM 0 HB ILE A 121 -6.396 -4.768 -8.948 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.411 -5.221 -8.530 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.423 -4.171 -7.559 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.670 -7.040 -9.591 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.123 -6.063 -11.008 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -4.407 -6.337 -10.628 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -4.039 -6.309 -6.429 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -5.763 -6.115 -6.829 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -4.735 -7.181 -7.816 1.00 0.00 H new ATOM 1894 N GLU A 122 -7.081 -3.121 -11.309 1.00 0.00 N ATOM 1895 CA GLU A 122 -7.977 -2.970 -12.455 1.00 0.00 C ATOM 1896 C GLU A 122 -7.329 -2.100 -13.535 1.00 0.00 C ATOM 1897 O GLU A 122 -7.156 -2.530 -14.681 1.00 0.00 O ATOM 1898 CB GLU A 122 -9.311 -2.350 -12.015 1.00 0.00 C ATOM 1899 CG GLU A 122 -10.082 -3.190 -11.005 1.00 0.00 C ATOM 1900 CD GLU A 122 -10.472 -4.551 -11.551 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -11.548 -4.659 -12.173 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -9.706 -5.519 -11.363 1.00 0.00 O ATOM 0 H GLU A 122 -7.478 -2.815 -10.420 1.00 0.00 H new ATOM 0 HA GLU A 122 -8.167 -3.960 -12.870 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.118 -1.368 -11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.935 -2.195 -12.895 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -9.474 -3.323 -10.110 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -10.981 -2.653 -10.703 1.00 0.00 H new ATOM 1909 N ASP A 123 -6.954 -0.883 -13.150 1.00 0.00 N ATOM 1910 CA ASP A 123 -6.372 0.086 -14.083 1.00 0.00 C ATOM 1911 C ASP A 123 -4.954 -0.310 -14.496 1.00 0.00 C ATOM 1912 O ASP A 123 -4.401 0.248 -15.448 1.00 0.00 O ATOM 1913 CB ASP A 123 -6.370 1.491 -13.464 1.00 0.00 C ATOM 1914 CG ASP A 123 -7.773 2.048 -13.283 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -8.562 1.454 -12.523 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -8.101 3.091 -13.891 1.00 0.00 O ATOM 0 H ASP A 123 -7.042 -0.540 -12.193 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.991 0.092 -14.980 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -5.868 1.458 -12.497 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.794 2.164 -14.099 1.00 0.00 H new ATOM 1921 N LEU A 124 -4.369 -1.270 -13.790 1.00 0.00 N ATOM 1922 CA LEU A 124 -3.029 -1.748 -14.112 1.00 0.00 C ATOM 1923 C LEU A 124 -3.084 -2.871 -15.150 1.00 0.00 C ATOM 1924 O LEU A 124 -2.668 -2.691 -16.296 1.00 0.00 O ATOM 1925 CB LEU A 124 -2.311 -2.236 -12.846 1.00 0.00 C ATOM 1926 CG LEU A 124 -0.881 -2.766 -13.058 1.00 0.00 C ATOM 1927 CD1 LEU A 124 0.032 -1.673 -13.611 1.00 0.00 C ATOM 1928 CD2 LEU A 124 -0.323 -3.334 -11.754 1.00 0.00 C ATOM 0 H LEU A 124 -4.801 -1.733 -12.991 1.00 0.00 H new ATOM 0 HA LEU A 124 -2.468 -0.914 -14.535 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.273 -1.414 -12.131 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.909 -3.026 -12.392 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.921 -3.570 -13.793 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.036 -2.074 -13.751 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.356 -1.324 -14.568 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.069 -0.840 -12.909 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.688 -3.704 -11.922 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -0.302 -2.551 -10.996 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.957 -4.152 -11.413 1.00 0.00 H new ATOM 1940 N ILE A 125 -3.618 -4.026 -14.751 1.00 0.00 N ATOM 1941 CA ILE A 125 -3.576 -5.218 -15.597 1.00 0.00 C ATOM 1942 C ILE A 125 -4.791 -5.317 -16.517 1.00 0.00 C ATOM 1943 O ILE A 125 -4.747 -6.047 -17.513 1.00 0.00 O ATOM 1944 CB ILE A 125 -3.468 -6.524 -14.764 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -4.742 -6.755 -13.931 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -2.233 -6.479 -13.864 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -4.747 -8.069 -13.179 1.00 0.00 C ATOM 0 H ILE A 125 -4.082 -4.161 -13.853 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.679 -5.110 -16.206 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.364 -7.362 -15.454 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -4.852 -5.938 -13.218 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -5.608 -6.721 -14.591 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.170 -7.401 -13.286 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.339 -6.374 -14.478 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.308 -5.630 -13.185 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.675 -8.162 -12.615 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.669 -8.894 -13.887 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -3.901 -8.099 -12.493 1.00 0.00 H new ATOM 1959 N GLU A 126 -5.865 -4.584 -16.184 1.00 0.00 N ATOM 1960 CA GLU A 126 -7.107 -4.620 -16.962 1.00 0.00 C ATOM 1961 C GLU A 126 -7.814 -5.973 -16.773 1.00 0.00 C ATOM 1962 O GLU A 126 -7.620 -6.885 -17.608 1.00 0.00 O ATOM 1963 CB GLU A 126 -6.815 -4.339 -18.450 1.00 0.00 C ATOM 1964 CG GLU A 126 -8.047 -4.262 -19.345 1.00 0.00 C ATOM 1965 CD GLU A 126 -7.675 -4.124 -20.814 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -7.490 -5.162 -21.485 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -7.548 -2.978 -21.302 1.00 0.00 O ATOM 1968 OXT GLU A 126 -8.558 -6.124 -15.777 1.00 0.00 O ATOM 0 H GLU A 126 -5.895 -3.959 -15.379 1.00 0.00 H new ATOM 0 HA GLU A 126 -7.776 -3.839 -16.601 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -6.270 -3.398 -18.526 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -6.157 -5.121 -18.830 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -8.652 -5.158 -19.207 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -8.661 -3.413 -19.045 1.00 0.00 H new