USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=25 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 35 GLN : amide:sc= -0.513 K(o=-0.49,f=-2.4) USER MOD Set 1.2: A 41 SER OG : rot 119:sc= 0.0265 USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= -0.0606 USER MOD Set 2.2: A 62 HIS :FLIP no HD1:sc= -0.263 F(o=-2.4,f=-0.32) USER MOD Single : A 13 SER OG : rot 41:sc= 0.174 USER MOD Single : A 19 LYS NZ :NH3+ -164:sc= -0.0637 (180deg=-0.341) USER MOD Single : A 23 MET CE :methyl -147:sc= -0.018 (180deg=-0.692) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0252 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot -32:sc= -4.5! USER MOD Single : A 47 LYS NZ :NH3+ -121:sc= -0.15 (180deg=-1.35) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.67 K(o=-1.7,f=-8.4!) USER MOD Single : A 67 LYS NZ :NH3+ 167:sc= -0.0178 (180deg=-0.189) USER MOD Single : A 69 LYS NZ :NH3+ -165:sc= -0.0156 (180deg=-0.219) USER MOD Single : A 75 CYS SG : rot -54:sc= -0.619 USER MOD Single : A 76 TYR OH : rot -45:sc= 0.119 USER MOD Single : A 79 LYS NZ :NH3+ -166:sc= -0.029 (180deg=-0.204) USER MOD Single : A 83 TYR OH : rot -68:sc= 0.273 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -171:sc= -0.0153 (180deg=-0.141) USER MOD Single : A 87 ASN : amide:sc=-0.00102 K(o=-0.001,f=-0.78) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00366 USER MOD Single : A 91 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-3.6!) USER MOD Single : A 92 HIS : no HD1:sc= -0.556 X(o=-0.56,f=-0.33) USER MOD Single : A 94 LYS NZ :NH3+ -112:sc= 0.426 (180deg=-0.000362) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 99 LYS NZ :NH3+ 156:sc= 0.519 (180deg=0.234) USER MOD Single : A 103 THR OG1 : rot -65:sc= 0.378! USER MOD Single : A 105 GLN : amide:sc= -0.123 K(o=-0.12,f=-1) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -171:sc= 0.971 (180deg=0.588) USER MOD ----------------------------------------------------------------- ATOM 163 N SER A 13 2.625 12.867 -9.094 1.00 0.00 N ATOM 164 CA SER A 13 1.884 11.627 -9.319 1.00 0.00 C ATOM 165 C SER A 13 1.351 11.024 -8.015 1.00 0.00 C ATOM 166 O SER A 13 0.587 10.056 -8.044 1.00 0.00 O ATOM 167 CB SER A 13 2.787 10.615 -10.036 1.00 0.00 C ATOM 168 OG SER A 13 3.372 11.185 -11.198 1.00 0.00 O ATOM 0 HA SER A 13 1.020 11.864 -9.940 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.571 10.279 -9.358 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.205 9.736 -10.312 1.00 0.00 H new ATOM 0 HG SER A 13 3.653 12.104 -11.006 1.00 0.00 H new ATOM 174 N TYR A 14 1.765 11.576 -6.870 1.00 0.00 N ATOM 175 CA TYR A 14 1.297 11.084 -5.571 1.00 0.00 C ATOM 176 C TYR A 14 -0.212 11.278 -5.425 1.00 0.00 C ATOM 177 O TYR A 14 -0.675 12.341 -5.004 1.00 0.00 O ATOM 178 CB TYR A 14 2.025 11.779 -4.411 1.00 0.00 C ATOM 179 CG TYR A 14 3.457 11.322 -4.213 1.00 0.00 C ATOM 180 CD1 TYR A 14 3.741 10.085 -3.641 1.00 0.00 C ATOM 181 CD2 TYR A 14 4.523 12.129 -4.586 1.00 0.00 C ATOM 182 CE1 TYR A 14 5.044 9.671 -3.448 1.00 0.00 C ATOM 183 CE2 TYR A 14 5.829 11.720 -4.399 1.00 0.00 C ATOM 184 CZ TYR A 14 6.086 10.494 -3.832 1.00 0.00 C ATOM 185 OH TYR A 14 7.386 10.092 -3.641 1.00 0.00 O ATOM 0 H TYR A 14 2.418 12.358 -6.816 1.00 0.00 H new ATOM 0 HA TYR A 14 1.523 10.018 -5.530 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.020 12.855 -4.586 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.469 11.603 -3.490 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.929 9.438 -3.343 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.328 13.094 -5.030 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.248 8.710 -3.000 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.645 12.361 -4.697 1.00 0.00 H new ATOM 0 HH TYR A 14 7.995 10.788 -3.967 1.00 0.00 H new ATOM 195 N ILE A 15 -0.970 10.248 -5.785 1.00 0.00 N ATOM 196 CA ILE A 15 -2.427 10.309 -5.732 1.00 0.00 C ATOM 197 C ILE A 15 -2.946 10.000 -4.325 1.00 0.00 C ATOM 198 O ILE A 15 -3.809 10.710 -3.805 1.00 0.00 O ATOM 199 CB ILE A 15 -3.075 9.345 -6.767 1.00 0.00 C ATOM 200 CG1 ILE A 15 -4.611 9.438 -6.719 1.00 0.00 C ATOM 201 CG2 ILE A 15 -2.609 7.904 -6.546 1.00 0.00 C ATOM 202 CD1 ILE A 15 -5.155 10.816 -7.051 1.00 0.00 C ATOM 0 H ILE A 15 -0.599 9.358 -6.118 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.714 11.329 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.748 9.654 -7.760 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.031 8.714 -7.418 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.951 9.154 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.078 7.253 -7.284 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.525 7.852 -6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.891 7.580 -5.544 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.243 10.800 -6.996 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.766 11.542 -6.338 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.847 11.096 -8.058 1.00 0.00 H new ATOM 214 N VAL A 16 -2.412 8.950 -3.702 1.00 0.00 N ATOM 215 CA VAL A 16 -2.861 8.529 -2.375 1.00 0.00 C ATOM 216 C VAL A 16 -1.682 8.452 -1.407 1.00 0.00 C ATOM 217 O VAL A 16 -0.715 7.725 -1.645 1.00 0.00 O ATOM 218 CB VAL A 16 -3.580 7.155 -2.422 1.00 0.00 C ATOM 219 CG1 VAL A 16 -4.016 6.714 -1.024 1.00 0.00 C ATOM 220 CG2 VAL A 16 -4.777 7.202 -3.374 1.00 0.00 C ATOM 0 H VAL A 16 -1.667 8.375 -4.095 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.572 9.277 -2.024 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.871 6.418 -2.800 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.517 5.748 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.141 6.627 -0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.701 7.452 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.266 6.228 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.484 7.957 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.434 7.454 -4.378 1.00 0.00 H new ATOM 230 N ARG A 17 -1.766 9.218 -0.321 1.00 0.00 N ATOM 231 CA ARG A 17 -0.728 9.234 0.705 1.00 0.00 C ATOM 232 C ARG A 17 -1.345 8.938 2.070 1.00 0.00 C ATOM 233 O ARG A 17 -2.007 9.797 2.659 1.00 0.00 O ATOM 234 CB ARG A 17 0.000 10.594 0.748 1.00 0.00 C ATOM 235 CG ARG A 17 0.643 11.028 -0.572 1.00 0.00 C ATOM 236 CD ARG A 17 -0.361 11.686 -1.520 1.00 0.00 C ATOM 237 NE ARG A 17 -0.910 12.925 -0.961 1.00 0.00 N ATOM 238 CZ ARG A 17 -1.543 13.863 -1.674 1.00 0.00 C ATOM 239 NH1 ARG A 17 -1.708 13.723 -2.984 1.00 0.00 N ATOM 240 NH2 ARG A 17 -1.999 14.955 -1.074 1.00 0.00 N ATOM 0 H ARG A 17 -2.551 9.841 -0.129 1.00 0.00 H new ATOM 0 HA ARG A 17 0.003 8.465 0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -0.711 11.360 1.057 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.774 10.550 1.514 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.455 11.725 -0.366 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.085 10.160 -1.061 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.125 11.901 -2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.174 10.990 -1.728 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.802 13.083 0.041 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.350 12.893 -3.457 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -2.192 14.445 -3.517 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.867 15.078 -0.070 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.482 15.671 -1.617 1.00 0.00 H new ATOM 254 N VAL A 18 -1.149 7.717 2.556 1.00 0.00 N ATOM 255 CA VAL A 18 -1.639 7.317 3.874 1.00 0.00 C ATOM 256 C VAL A 18 -0.468 6.897 4.759 1.00 0.00 C ATOM 257 O VAL A 18 0.678 6.867 4.307 1.00 0.00 O ATOM 258 CB VAL A 18 -2.673 6.162 3.782 1.00 0.00 C ATOM 259 CG1 VAL A 18 -3.927 6.612 3.033 1.00 0.00 C ATOM 260 CG2 VAL A 18 -2.058 4.931 3.117 1.00 0.00 C ATOM 0 H VAL A 18 -0.651 6.981 2.055 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.143 8.178 4.314 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.963 5.889 4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.636 5.786 2.982 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.384 7.450 3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.656 6.921 2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.802 4.136 3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.729 5.188 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.204 4.590 3.702 1.00 0.00 H new ATOM 270 N LYS A 19 -0.754 6.575 6.015 1.00 0.00 N ATOM 271 CA LYS A 19 0.286 6.201 6.971 1.00 0.00 C ATOM 272 C LYS A 19 -0.055 4.877 7.651 1.00 0.00 C ATOM 273 O LYS A 19 -1.168 4.689 8.144 1.00 0.00 O ATOM 274 CB LYS A 19 0.475 7.320 8.010 1.00 0.00 C ATOM 275 CG LYS A 19 -0.822 7.770 8.679 1.00 0.00 C ATOM 276 CD LYS A 19 -0.603 8.977 9.588 1.00 0.00 C ATOM 277 CE LYS A 19 -1.912 9.483 10.184 1.00 0.00 C ATOM 278 NZ LYS A 19 -2.895 9.861 9.133 1.00 0.00 N ATOM 0 H LYS A 19 -1.699 6.565 6.398 1.00 0.00 H new ATOM 0 HA LYS A 19 1.224 6.067 6.432 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.168 6.976 8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.938 8.179 7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.558 8.020 7.914 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.235 6.947 9.262 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.082 8.707 10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.129 9.778 9.021 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.342 8.711 10.822 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.711 10.346 10.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.648 10.442 9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.415 10.404 8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.311 9.001 8.721 1.00 0.00 H new ATOM 292 N ALA A 20 0.913 3.962 7.655 1.00 0.00 N ATOM 293 CA ALA A 20 0.751 2.648 8.269 1.00 0.00 C ATOM 294 C ALA A 20 2.122 2.047 8.577 1.00 0.00 C ATOM 295 O ALA A 20 3.148 2.676 8.315 1.00 0.00 O ATOM 296 CB ALA A 20 -0.053 1.727 7.354 1.00 0.00 C ATOM 0 H ALA A 20 1.830 4.112 7.233 1.00 0.00 H new ATOM 0 HA ALA A 20 0.201 2.758 9.204 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.165 0.751 7.827 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.038 2.159 7.177 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.469 1.612 6.404 1.00 0.00 H new ATOM 302 N VAL A 21 2.139 0.836 9.120 1.00 0.00 N ATOM 303 CA VAL A 21 3.389 0.191 9.519 1.00 0.00 C ATOM 304 C VAL A 21 3.921 -0.699 8.395 1.00 0.00 C ATOM 305 O VAL A 21 3.451 -1.820 8.201 1.00 0.00 O ATOM 306 CB VAL A 21 3.205 -0.657 10.804 1.00 0.00 C ATOM 307 CG1 VAL A 21 4.543 -1.228 11.277 1.00 0.00 C ATOM 308 CG2 VAL A 21 2.541 0.166 11.906 1.00 0.00 C ATOM 0 H VAL A 21 1.303 0.279 9.295 1.00 0.00 H new ATOM 0 HA VAL A 21 4.109 0.983 9.725 1.00 0.00 H new ATOM 0 HB VAL A 21 2.549 -1.494 10.567 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.388 -1.819 12.180 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.964 -1.862 10.497 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.232 -0.411 11.492 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.422 -0.449 12.798 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.164 1.029 12.141 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.563 0.506 11.567 1.00 0.00 H new ATOM 318 N VAL A 22 4.889 -0.187 7.646 1.00 0.00 N ATOM 319 CA VAL A 22 5.475 -0.935 6.538 1.00 0.00 C ATOM 320 C VAL A 22 6.536 -1.913 7.049 1.00 0.00 C ATOM 321 O VAL A 22 7.628 -1.503 7.456 1.00 0.00 O ATOM 322 CB VAL A 22 6.107 0.010 5.482 1.00 0.00 C ATOM 323 CG1 VAL A 22 6.675 -0.788 4.306 1.00 0.00 C ATOM 324 CG2 VAL A 22 5.086 1.040 4.998 1.00 0.00 C ATOM 0 H VAL A 22 5.286 0.742 7.784 1.00 0.00 H new ATOM 0 HA VAL A 22 4.668 -1.492 6.062 1.00 0.00 H new ATOM 0 HB VAL A 22 6.931 0.544 5.955 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.112 -0.103 3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.442 -1.472 4.668 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.875 -1.357 3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.550 1.692 4.258 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.237 0.526 4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.742 1.637 5.843 1.00 0.00 H new ATOM 334 N MET A 23 6.195 -3.201 7.049 1.00 0.00 N ATOM 335 CA MET A 23 7.118 -4.258 7.459 1.00 0.00 C ATOM 336 C MET A 23 7.979 -4.693 6.280 1.00 0.00 C ATOM 337 O MET A 23 7.549 -4.630 5.124 1.00 0.00 O ATOM 338 CB MET A 23 6.353 -5.479 7.995 1.00 0.00 C ATOM 339 CG MET A 23 5.507 -5.201 9.228 1.00 0.00 C ATOM 340 SD MET A 23 6.493 -4.705 10.653 1.00 0.00 S ATOM 341 CE MET A 23 5.245 -4.699 11.940 1.00 0.00 C ATOM 0 H MET A 23 5.275 -3.540 6.766 1.00 0.00 H new ATOM 0 HA MET A 23 7.751 -3.858 8.251 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.707 -5.863 7.205 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.069 -6.266 8.231 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.786 -4.416 8.999 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.936 -6.094 9.480 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.475 -3.920 12.666 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.267 -4.506 11.498 1.00 0.00 H new ATOM 0 HE3 MET A 23 5.233 -5.668 12.439 1.00 0.00 H new ATOM 351 N THR A 24 9.186 -5.148 6.578 1.00 0.00 N ATOM 352 CA THR A 24 10.097 -5.647 5.561 1.00 0.00 C ATOM 353 C THR A 24 10.508 -7.083 5.888 1.00 0.00 C ATOM 354 O THR A 24 10.518 -7.489 7.053 1.00 0.00 O ATOM 355 CB THR A 24 11.347 -4.739 5.432 1.00 0.00 C ATOM 356 OG1 THR A 24 12.282 -5.285 4.485 1.00 0.00 O ATOM 357 CG2 THR A 24 12.029 -4.540 6.776 1.00 0.00 C ATOM 0 H THR A 24 9.560 -5.182 7.526 1.00 0.00 H new ATOM 0 HA THR A 24 9.579 -5.635 4.602 1.00 0.00 H new ATOM 0 HB THR A 24 11.007 -3.768 5.072 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.062 -4.695 4.418 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.901 -3.899 6.650 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.332 -4.072 7.472 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.343 -5.506 7.171 1.00 0.00 H new ATOM 365 N ARG A 25 10.819 -7.852 4.853 1.00 0.00 N ATOM 366 CA ARG A 25 11.200 -9.250 5.009 1.00 0.00 C ATOM 367 C ARG A 25 12.572 -9.483 4.392 1.00 0.00 C ATOM 368 O ARG A 25 12.707 -9.533 3.165 1.00 0.00 O ATOM 369 CB ARG A 25 10.155 -10.156 4.342 1.00 0.00 C ATOM 370 CG ARG A 25 10.431 -11.653 4.476 1.00 0.00 C ATOM 371 CD ARG A 25 9.350 -12.484 3.791 1.00 0.00 C ATOM 372 NE ARG A 25 9.556 -13.921 3.969 1.00 0.00 N ATOM 373 CZ ARG A 25 8.591 -14.841 3.871 1.00 0.00 C ATOM 374 NH1 ARG A 25 7.348 -14.490 3.561 1.00 0.00 N ATOM 375 NH2 ARG A 25 8.875 -16.120 4.062 1.00 0.00 N ATOM 0 H ARG A 25 10.815 -7.527 3.886 1.00 0.00 H new ATOM 0 HA ARG A 25 11.246 -9.492 6.071 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.178 -9.940 4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.098 -9.904 3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.402 -11.886 4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.484 -11.921 5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.375 -12.207 4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.336 -12.251 2.726 1.00 0.00 H new ATOM 0 HE ARG A 25 10.500 -14.243 4.182 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.121 -13.509 3.395 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.620 -15.201 3.489 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.830 -16.403 4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.139 -16.822 3.987 1.00 0.00 H new ATOM 389 N ASP A 26 13.592 -9.618 5.238 1.00 0.00 N ATOM 390 CA ASP A 26 14.959 -9.825 4.764 1.00 0.00 C ATOM 391 C ASP A 26 15.164 -11.297 4.412 1.00 0.00 C ATOM 392 O ASP A 26 16.049 -11.968 4.952 1.00 0.00 O ATOM 393 CB ASP A 26 15.982 -9.364 5.814 1.00 0.00 C ATOM 394 CG ASP A 26 17.400 -9.299 5.258 1.00 0.00 C ATOM 395 OD1 ASP A 26 17.682 -8.392 4.447 1.00 0.00 O ATOM 396 OD2 ASP A 26 18.235 -10.156 5.620 1.00 0.00 O ATOM 0 H ASP A 26 13.498 -9.588 6.253 1.00 0.00 H new ATOM 0 HA ASP A 26 15.115 -9.223 3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.696 -8.381 6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.959 -10.047 6.663 1.00 0.00 H new ATOM 401 N ASP A 27 14.305 -11.791 3.517 1.00 0.00 N ATOM 402 CA ASP A 27 14.306 -13.193 3.095 1.00 0.00 C ATOM 403 C ASP A 27 14.124 -14.116 4.299 1.00 0.00 C ATOM 404 O ASP A 27 14.478 -15.296 4.259 1.00 0.00 O ATOM 405 CB ASP A 27 15.591 -13.528 2.323 1.00 0.00 C ATOM 406 CG ASP A 27 15.768 -12.648 1.092 1.00 0.00 C ATOM 407 OD1 ASP A 27 14.770 -12.410 0.375 1.00 0.00 O ATOM 408 OD2 ASP A 27 16.897 -12.170 0.846 1.00 0.00 O ATOM 0 H ASP A 27 13.586 -11.227 3.063 1.00 0.00 H new ATOM 0 HA ASP A 27 13.464 -13.352 2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 27 16.451 -13.406 2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.568 -14.575 2.019 1.00 0.00 H new ATOM 413 N SER A 28 13.542 -13.558 5.357 1.00 0.00 N ATOM 414 CA SER A 28 13.277 -14.281 6.590 1.00 0.00 C ATOM 415 C SER A 28 12.215 -15.364 6.368 1.00 0.00 C ATOM 416 O SER A 28 11.409 -15.268 5.441 1.00 0.00 O ATOM 417 CB SER A 28 12.801 -13.279 7.647 1.00 0.00 C ATOM 418 OG SER A 28 13.542 -12.069 7.565 1.00 0.00 O ATOM 0 H SER A 28 13.240 -12.584 5.379 1.00 0.00 H new ATOM 0 HA SER A 28 14.189 -14.775 6.927 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.740 -13.071 7.506 1.00 0.00 H new ATOM 0 HB3 SER A 28 12.912 -13.712 8.641 1.00 0.00 H new ATOM 0 HG SER A 28 13.222 -11.442 8.247 1.00 0.00 H new ATOM 424 N SER A 29 12.218 -16.387 7.221 1.00 0.00 N ATOM 425 CA SER A 29 11.228 -17.459 7.142 1.00 0.00 C ATOM 426 C SER A 29 9.817 -16.903 7.366 1.00 0.00 C ATOM 427 O SER A 29 8.873 -17.259 6.653 1.00 0.00 O ATOM 428 CB SER A 29 11.546 -18.542 8.181 1.00 0.00 C ATOM 429 OG SER A 29 12.874 -19.024 8.027 1.00 0.00 O ATOM 0 H SER A 29 12.896 -16.496 7.975 1.00 0.00 H new ATOM 0 HA SER A 29 11.268 -17.902 6.147 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.417 -18.137 9.185 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.842 -19.368 8.078 1.00 0.00 H new ATOM 0 HG SER A 29 13.053 -19.712 8.702 1.00 0.00 H new ATOM 435 N GLY A 30 9.689 -16.028 8.363 1.00 0.00 N ATOM 436 CA GLY A 30 8.415 -15.379 8.644 1.00 0.00 C ATOM 437 C GLY A 30 8.571 -14.162 9.539 1.00 0.00 C ATOM 438 O GLY A 30 7.584 -13.607 10.027 1.00 0.00 O ATOM 0 H GLY A 30 10.450 -15.755 8.985 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.948 -15.079 7.706 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.744 -16.093 9.120 1.00 0.00 H new ATOM 442 N GLY A 31 9.814 -13.746 9.754 1.00 0.00 N ATOM 443 CA GLY A 31 10.088 -12.607 10.610 1.00 0.00 C ATOM 444 C GLY A 31 9.939 -11.285 9.882 1.00 0.00 C ATOM 445 O GLY A 31 10.930 -10.701 9.436 1.00 0.00 O ATOM 0 H GLY A 31 10.642 -14.181 9.347 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.410 -12.627 11.464 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.101 -12.689 11.005 1.00 0.00 H new ATOM 449 N TRP A 32 8.698 -10.827 9.736 1.00 0.00 N ATOM 450 CA TRP A 32 8.431 -9.514 9.153 1.00 0.00 C ATOM 451 C TRP A 32 8.815 -8.432 10.154 1.00 0.00 C ATOM 452 O TRP A 32 8.069 -8.154 11.095 1.00 0.00 O ATOM 453 CB TRP A 32 6.951 -9.378 8.746 1.00 0.00 C ATOM 454 CG TRP A 32 6.541 -10.357 7.689 1.00 0.00 C ATOM 455 CD1 TRP A 32 6.113 -11.642 7.869 1.00 0.00 C ATOM 456 CD2 TRP A 32 6.526 -10.126 6.278 1.00 0.00 C ATOM 457 NE1 TRP A 32 5.829 -12.218 6.656 1.00 0.00 N ATOM 458 CE2 TRP A 32 6.075 -11.308 5.665 1.00 0.00 C ATOM 459 CE3 TRP A 32 6.850 -9.031 5.478 1.00 0.00 C ATOM 460 CZ2 TRP A 32 5.938 -11.422 4.284 1.00 0.00 C ATOM 461 CZ3 TRP A 32 6.715 -9.145 4.111 1.00 0.00 C ATOM 462 CH2 TRP A 32 6.262 -10.332 3.524 1.00 0.00 C ATOM 0 H TRP A 32 7.863 -11.344 10.012 1.00 0.00 H new ATOM 0 HA TRP A 32 9.030 -9.400 8.250 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.324 -9.519 9.626 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.771 -8.365 8.385 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.013 -12.133 8.826 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.490 -13.170 6.516 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.200 -8.111 5.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 5.589 -12.337 3.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.963 -8.303 3.482 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.166 -10.388 2.450 1.00 0.00 H new ATOM 473 N PHE A 33 9.996 -7.851 9.964 1.00 0.00 N ATOM 474 CA PHE A 33 10.534 -6.887 10.916 1.00 0.00 C ATOM 475 C PHE A 33 10.269 -5.454 10.452 1.00 0.00 C ATOM 476 O PHE A 33 10.334 -5.159 9.257 1.00 0.00 O ATOM 477 CB PHE A 33 12.041 -7.128 11.145 1.00 0.00 C ATOM 478 CG PHE A 33 12.945 -6.841 9.960 1.00 0.00 C ATOM 479 CD1 PHE A 33 13.032 -7.721 8.886 1.00 0.00 C ATOM 480 CD2 PHE A 33 13.741 -5.699 9.943 1.00 0.00 C ATOM 481 CE1 PHE A 33 13.887 -7.464 7.831 1.00 0.00 C ATOM 482 CE2 PHE A 33 14.592 -5.442 8.886 1.00 0.00 C ATOM 483 CZ PHE A 33 14.667 -6.326 7.831 1.00 0.00 C ATOM 0 H PHE A 33 10.597 -8.031 9.160 1.00 0.00 H new ATOM 0 HA PHE A 33 10.022 -7.028 11.868 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.365 -6.510 11.983 1.00 0.00 H new ATOM 0 HB3 PHE A 33 12.182 -8.167 11.442 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.425 -8.614 8.877 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.692 -5.004 10.768 1.00 0.00 H new ATOM 0 HE1 PHE A 33 13.945 -8.156 7.004 1.00 0.00 H new ATOM 0 HE2 PHE A 33 15.199 -4.548 8.886 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.335 -6.128 7.006 1.00 0.00 H new ATOM 493 N PRO A 34 9.937 -4.552 11.394 1.00 0.00 N ATOM 494 CA PRO A 34 9.686 -3.141 11.091 1.00 0.00 C ATOM 495 C PRO A 34 10.979 -2.400 10.751 1.00 0.00 C ATOM 496 O PRO A 34 12.003 -2.571 11.419 1.00 0.00 O ATOM 497 CB PRO A 34 9.061 -2.585 12.388 1.00 0.00 C ATOM 498 CG PRO A 34 8.781 -3.778 13.247 1.00 0.00 C ATOM 499 CD PRO A 34 9.767 -4.829 12.828 1.00 0.00 C ATOM 0 HA PRO A 34 9.041 -3.016 10.222 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.742 -1.895 12.886 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.146 -2.032 12.176 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.896 -3.534 14.303 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.757 -4.126 13.110 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.708 -4.743 13.372 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.387 -5.835 13.005 1.00 0.00 H new ATOM 507 N GLN A 35 10.928 -1.576 9.710 1.00 0.00 N ATOM 508 CA GLN A 35 12.094 -0.815 9.268 1.00 0.00 C ATOM 509 C GLN A 35 12.120 0.576 9.903 1.00 0.00 C ATOM 510 O GLN A 35 11.068 1.165 10.159 1.00 0.00 O ATOM 511 CB GLN A 35 12.125 -0.726 7.726 1.00 0.00 C ATOM 512 CG GLN A 35 10.774 -0.413 7.070 1.00 0.00 C ATOM 513 CD GLN A 35 10.289 1.012 7.298 1.00 0.00 C ATOM 514 OE1 GLN A 35 11.084 1.946 7.403 1.00 0.00 O ATOM 515 NE2 GLN A 35 8.978 1.182 7.385 1.00 0.00 N ATOM 0 H GLN A 35 10.088 -1.417 9.153 1.00 0.00 H new ATOM 0 HA GLN A 35 12.990 -1.340 9.598 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.841 0.043 7.435 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.495 -1.672 7.329 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.853 -0.592 5.998 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.026 -1.106 7.455 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.353 0.382 7.292 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.594 2.113 7.545 1.00 0.00 H new ATOM 524 N GLU A 36 13.336 1.052 10.191 1.00 0.00 N ATOM 525 CA GLU A 36 13.595 2.417 10.671 1.00 0.00 C ATOM 526 C GLU A 36 12.581 2.910 11.710 1.00 0.00 C ATOM 527 O GLU A 36 12.829 2.830 12.916 1.00 0.00 O ATOM 528 CB GLU A 36 13.671 3.397 9.491 1.00 0.00 C ATOM 529 CG GLU A 36 14.822 3.107 8.536 1.00 0.00 C ATOM 530 CD GLU A 36 16.168 3.061 9.248 1.00 0.00 C ATOM 531 OE1 GLU A 36 16.656 4.127 9.680 1.00 0.00 O ATOM 532 OE2 GLU A 36 16.735 1.957 9.395 1.00 0.00 O ATOM 0 H GLU A 36 14.183 0.492 10.096 1.00 0.00 H new ATOM 0 HA GLU A 36 14.558 2.379 11.181 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.732 3.362 8.938 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.776 4.411 9.877 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.645 2.154 8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.850 3.873 7.761 1.00 0.00 H new ATOM 539 N GLY A 37 11.438 3.403 11.233 1.00 0.00 N ATOM 540 CA GLY A 37 10.447 4.005 12.110 1.00 0.00 C ATOM 541 C GLY A 37 9.950 3.055 13.180 1.00 0.00 C ATOM 542 O GLY A 37 9.596 3.480 14.281 1.00 0.00 O ATOM 0 H GLY A 37 11.180 3.395 10.246 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.878 4.886 12.586 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.601 4.346 11.513 1.00 0.00 H new ATOM 546 N GLY A 38 9.929 1.765 12.855 1.00 0.00 N ATOM 547 CA GLY A 38 9.452 0.762 13.795 1.00 0.00 C ATOM 548 C GLY A 38 7.966 0.892 14.069 1.00 0.00 C ATOM 549 O GLY A 38 7.435 0.269 14.990 1.00 0.00 O ATOM 0 H GLY A 38 10.235 1.395 11.955 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.661 -0.232 13.400 1.00 0.00 H new ATOM 0 HA3 GLY A 38 10.002 0.854 14.732 1.00 0.00 H new ATOM 553 N GLY A 39 7.295 1.698 13.255 1.00 0.00 N ATOM 554 CA GLY A 39 5.882 1.948 13.433 1.00 0.00 C ATOM 555 C GLY A 39 5.284 2.646 12.230 1.00 0.00 C ATOM 556 O GLY A 39 5.389 2.147 11.107 1.00 0.00 O ATOM 0 H GLY A 39 7.714 2.188 12.465 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.363 1.004 13.602 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.729 2.559 14.322 1.00 0.00 H new ATOM 560 N ILE A 40 4.678 3.806 12.456 1.00 0.00 N ATOM 561 CA ILE A 40 4.009 4.548 11.392 1.00 0.00 C ATOM 562 C ILE A 40 4.998 5.018 10.315 1.00 0.00 C ATOM 563 O ILE A 40 6.098 5.493 10.616 1.00 0.00 O ATOM 564 CB ILE A 40 3.232 5.771 11.946 1.00 0.00 C ATOM 565 CG1 ILE A 40 4.176 6.720 12.707 1.00 0.00 C ATOM 566 CG2 ILE A 40 2.083 5.312 12.843 1.00 0.00 C ATOM 567 CD1 ILE A 40 3.502 7.973 13.227 1.00 0.00 C ATOM 0 H ILE A 40 4.636 4.255 13.371 1.00 0.00 H new ATOM 0 HA ILE A 40 3.299 3.856 10.938 1.00 0.00 H new ATOM 0 HB ILE A 40 2.811 6.320 11.104 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.616 6.182 13.546 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.995 7.007 12.047 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.548 6.182 13.223 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.399 4.689 12.267 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.481 4.737 13.679 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.233 8.589 13.751 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.086 8.536 12.391 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.701 7.697 13.914 1.00 0.00 H new ATOM 579 N SER A 41 4.597 4.849 9.061 1.00 0.00 N ATOM 580 CA SER A 41 5.357 5.325 7.909 1.00 0.00 C ATOM 581 C SER A 41 4.382 5.802 6.831 1.00 0.00 C ATOM 582 O SER A 41 3.399 5.115 6.532 1.00 0.00 O ATOM 583 CB SER A 41 6.256 4.205 7.357 1.00 0.00 C ATOM 584 OG SER A 41 7.131 3.706 8.358 1.00 0.00 O ATOM 0 H SER A 41 3.729 4.375 8.812 1.00 0.00 H new ATOM 0 HA SER A 41 5.997 6.153 8.215 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.637 3.394 6.975 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.839 4.584 6.517 1.00 0.00 H new ATOM 0 HG SER A 41 6.951 2.754 8.505 1.00 0.00 H new ATOM 590 N ARG A 42 4.631 6.980 6.268 1.00 0.00 N ATOM 591 CA ARG A 42 3.754 7.539 5.245 1.00 0.00 C ATOM 592 C ARG A 42 3.999 6.828 3.918 1.00 0.00 C ATOM 593 O ARG A 42 5.007 7.067 3.247 1.00 0.00 O ATOM 594 CB ARG A 42 3.971 9.061 5.112 1.00 0.00 C ATOM 595 CG ARG A 42 2.938 9.794 4.247 1.00 0.00 C ATOM 596 CD ARG A 42 3.241 9.693 2.753 1.00 0.00 C ATOM 597 NE ARG A 42 4.546 10.273 2.417 1.00 0.00 N ATOM 598 CZ ARG A 42 5.364 9.794 1.479 1.00 0.00 C ATOM 599 NH1 ARG A 42 5.032 8.706 0.796 1.00 0.00 N ATOM 600 NH2 ARG A 42 6.522 10.400 1.243 1.00 0.00 N ATOM 0 H ARG A 42 5.432 7.566 6.503 1.00 0.00 H new ATOM 0 HA ARG A 42 2.716 7.381 5.538 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.965 9.501 6.109 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.962 9.235 4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.948 9.380 4.441 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.907 10.844 4.537 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.220 8.647 2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.461 10.205 2.189 1.00 0.00 H new ATOM 0 HE ARG A 42 4.848 11.098 2.936 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.149 8.233 0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.660 8.342 0.079 1.00 0.00 H new ATOM 0 HH21 ARG A 42 6.783 11.228 1.778 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.151 10.037 0.527 1.00 0.00 H new ATOM 614 N VAL A 43 3.088 5.933 3.559 1.00 0.00 N ATOM 615 CA VAL A 43 3.164 5.222 2.293 1.00 0.00 C ATOM 616 C VAL A 43 2.382 5.983 1.221 1.00 0.00 C ATOM 617 O VAL A 43 1.153 6.087 1.269 1.00 0.00 O ATOM 618 CB VAL A 43 2.657 3.757 2.413 1.00 0.00 C ATOM 619 CG1 VAL A 43 1.263 3.695 3.033 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.685 3.058 1.052 1.00 0.00 C ATOM 0 H VAL A 43 2.283 5.682 4.133 1.00 0.00 H new ATOM 0 HA VAL A 43 4.213 5.170 2.002 1.00 0.00 H new ATOM 0 HB VAL A 43 3.335 3.227 3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.941 2.656 3.101 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.289 4.133 4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.563 4.252 2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.326 2.035 1.161 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.043 3.595 0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.706 3.046 0.670 1.00 0.00 H new ATOM 630 N GLY A 44 3.118 6.552 0.277 1.00 0.00 N ATOM 631 CA GLY A 44 2.519 7.315 -0.798 1.00 0.00 C ATOM 632 C GLY A 44 2.583 6.568 -2.110 1.00 0.00 C ATOM 633 O GLY A 44 3.645 6.484 -2.731 1.00 0.00 O ATOM 0 H GLY A 44 4.136 6.497 0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.480 7.535 -0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.033 8.271 -0.897 1.00 0.00 H new ATOM 637 N VAL A 45 1.456 6.008 -2.520 1.00 0.00 N ATOM 638 CA VAL A 45 1.378 5.281 -3.777 1.00 0.00 C ATOM 639 C VAL A 45 1.089 6.255 -4.917 1.00 0.00 C ATOM 640 O VAL A 45 0.130 7.033 -4.864 1.00 0.00 O ATOM 641 CB VAL A 45 0.304 4.158 -3.736 1.00 0.00 C ATOM 642 CG1 VAL A 45 -1.074 4.717 -3.387 1.00 0.00 C ATOM 643 CG2 VAL A 45 0.265 3.392 -5.061 1.00 0.00 C ATOM 0 H VAL A 45 0.580 6.043 -1.999 1.00 0.00 H new ATOM 0 HA VAL A 45 2.340 4.797 -3.945 1.00 0.00 H new ATOM 0 HB VAL A 45 0.585 3.459 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.801 3.905 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.036 5.194 -2.408 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.370 5.451 -4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.494 2.612 -5.008 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.023 4.079 -5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.239 2.939 -5.248 1.00 0.00 H new ATOM 653 N CYS A 46 1.943 6.232 -5.931 1.00 0.00 N ATOM 654 CA CYS A 46 1.816 7.133 -7.066 1.00 0.00 C ATOM 655 C CYS A 46 1.802 6.349 -8.375 1.00 0.00 C ATOM 656 O CYS A 46 2.671 5.502 -8.611 1.00 0.00 O ATOM 657 CB CYS A 46 2.967 8.146 -7.051 1.00 0.00 C ATOM 658 SG CYS A 46 4.599 7.403 -6.839 1.00 0.00 S ATOM 0 H CYS A 46 2.737 5.594 -5.990 1.00 0.00 H new ATOM 0 HA CYS A 46 0.871 7.672 -6.989 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.954 8.709 -7.985 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.797 8.861 -6.246 1.00 0.00 H new ATOM 0 HG CYS A 46 4.500 6.344 -6.092 1.00 0.00 H new ATOM 664 N LYS A 47 0.800 6.614 -9.209 1.00 0.00 N ATOM 665 CA LYS A 47 0.702 5.980 -10.519 1.00 0.00 C ATOM 666 C LYS A 47 1.599 6.712 -11.508 1.00 0.00 C ATOM 667 O LYS A 47 1.234 7.776 -12.023 1.00 0.00 O ATOM 668 CB LYS A 47 -0.750 5.974 -11.029 1.00 0.00 C ATOM 669 CG LYS A 47 -0.921 5.261 -12.374 1.00 0.00 C ATOM 670 CD LYS A 47 -2.322 5.429 -12.974 1.00 0.00 C ATOM 671 CE LYS A 47 -3.422 4.818 -12.106 1.00 0.00 C ATOM 672 NZ LYS A 47 -3.901 5.750 -11.049 1.00 0.00 N ATOM 0 H LYS A 47 0.043 7.265 -9.000 1.00 0.00 H new ATOM 0 HA LYS A 47 1.028 4.944 -10.425 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.386 5.491 -10.287 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.098 7.003 -11.125 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.183 5.646 -13.078 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.714 4.199 -12.244 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.526 6.490 -13.115 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.346 4.966 -13.961 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.261 4.530 -12.739 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.048 3.907 -11.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.756 5.318 -10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.368 6.641 -11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.913 5.942 -11.189 1.00 0.00 H new ATOM 686 N VAL A 48 2.783 6.163 -11.741 1.00 0.00 N ATOM 687 CA VAL A 48 3.715 6.733 -12.700 1.00 0.00 C ATOM 688 C VAL A 48 3.223 6.449 -14.116 1.00 0.00 C ATOM 689 O VAL A 48 3.579 5.435 -14.721 1.00 0.00 O ATOM 690 CB VAL A 48 5.150 6.173 -12.513 1.00 0.00 C ATOM 691 CG1 VAL A 48 6.134 6.847 -13.472 1.00 0.00 C ATOM 692 CG2 VAL A 48 5.604 6.332 -11.060 1.00 0.00 C ATOM 0 H VAL A 48 3.121 5.320 -11.276 1.00 0.00 H new ATOM 0 HA VAL A 48 3.759 7.809 -12.531 1.00 0.00 H new ATOM 0 HB VAL A 48 5.133 5.109 -12.751 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.131 6.435 -13.319 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.821 6.667 -14.500 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.151 7.920 -13.281 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.612 5.934 -10.948 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.599 7.388 -10.791 1.00 0.00 H new ATOM 0 HG23 VAL A 48 4.924 5.787 -10.405 1.00 0.00 H new ATOM 702 N MET A 49 2.347 7.318 -14.607 1.00 0.00 N ATOM 703 CA MET A 49 1.769 7.160 -15.934 1.00 0.00 C ATOM 704 C MET A 49 2.631 7.856 -16.977 1.00 0.00 C ATOM 705 O MET A 49 3.260 8.885 -16.701 1.00 0.00 O ATOM 706 CB MET A 49 0.337 7.711 -15.971 1.00 0.00 C ATOM 707 CG MET A 49 -0.345 7.578 -17.328 1.00 0.00 C ATOM 708 SD MET A 49 -0.362 5.875 -17.933 1.00 0.00 S ATOM 709 CE MET A 49 -1.258 6.068 -19.475 1.00 0.00 C ATOM 0 H MET A 49 2.021 8.142 -14.103 1.00 0.00 H new ATOM 0 HA MET A 49 1.734 6.096 -16.166 1.00 0.00 H new ATOM 0 HB2 MET A 49 -0.261 7.190 -15.223 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.356 8.763 -15.687 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.369 7.943 -17.253 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.167 8.212 -18.052 1.00 0.00 H new ATOM 0 HE1 MET A 49 -1.350 5.099 -19.966 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.252 6.467 -19.271 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.718 6.755 -20.126 1.00 0.00 H new ATOM 828 N GLY A 58 4.267 2.548 -14.355 1.00 0.00 N ATOM 829 CA GLY A 58 4.174 1.683 -13.194 1.00 0.00 C ATOM 830 C GLY A 58 3.658 2.416 -11.973 1.00 0.00 C ATOM 831 O GLY A 58 3.059 3.486 -12.092 1.00 0.00 O ATOM 0 HA2 GLY A 58 3.513 0.846 -13.419 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.156 1.264 -12.976 1.00 0.00 H new ATOM 835 N PHE A 59 3.887 1.842 -10.798 1.00 0.00 N ATOM 836 CA PHE A 59 3.464 2.451 -9.539 1.00 0.00 C ATOM 837 C PHE A 59 4.651 2.524 -8.587 1.00 0.00 C ATOM 838 O PHE A 59 5.309 1.516 -8.333 1.00 0.00 O ATOM 839 CB PHE A 59 2.324 1.642 -8.895 1.00 0.00 C ATOM 840 CG PHE A 59 1.076 1.540 -9.739 1.00 0.00 C ATOM 841 CD1 PHE A 59 0.956 0.560 -10.717 1.00 0.00 C ATOM 842 CD2 PHE A 59 0.022 2.424 -9.554 1.00 0.00 C ATOM 843 CE1 PHE A 59 -0.187 0.466 -11.488 1.00 0.00 C ATOM 844 CE2 PHE A 59 -1.122 2.332 -10.322 1.00 0.00 C ATOM 845 CZ PHE A 59 -1.228 1.353 -11.291 1.00 0.00 C ATOM 0 H PHE A 59 4.367 0.949 -10.689 1.00 0.00 H new ATOM 0 HA PHE A 59 3.095 3.456 -9.743 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.685 0.636 -8.680 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.065 2.099 -7.940 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.766 -0.137 -10.876 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.098 3.193 -8.800 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.267 -0.301 -12.244 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.935 3.026 -10.165 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.122 1.281 -11.893 1.00 0.00 H new ATOM 855 N LEU A 60 4.942 3.710 -8.076 1.00 0.00 N ATOM 856 CA LEU A 60 6.056 3.882 -7.154 1.00 0.00 C ATOM 857 C LEU A 60 5.544 3.777 -5.719 1.00 0.00 C ATOM 858 O LEU A 60 4.826 4.666 -5.242 1.00 0.00 O ATOM 859 CB LEU A 60 6.753 5.240 -7.390 1.00 0.00 C ATOM 860 CG LEU A 60 8.266 5.295 -7.081 1.00 0.00 C ATOM 861 CD1 LEU A 60 8.826 6.679 -7.390 1.00 0.00 C ATOM 862 CD2 LEU A 60 8.560 4.909 -5.631 1.00 0.00 C ATOM 0 H LEU A 60 4.425 4.565 -8.282 1.00 0.00 H new ATOM 0 HA LEU A 60 6.792 3.097 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.606 5.524 -8.432 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.252 5.992 -6.781 1.00 0.00 H new ATOM 0 HG LEU A 60 8.760 4.566 -7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.893 6.698 -7.166 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.673 6.906 -8.445 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.314 7.423 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.634 4.959 -5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.047 5.598 -4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.209 3.894 -5.446 1.00 0.00 H new ATOM 874 N ILE A 61 5.877 2.673 -5.050 1.00 0.00 N ATOM 875 CA ILE A 61 5.551 2.511 -3.639 1.00 0.00 C ATOM 876 C ILE A 61 6.587 3.260 -2.805 1.00 0.00 C ATOM 877 O ILE A 61 7.652 2.727 -2.482 1.00 0.00 O ATOM 878 CB ILE A 61 5.501 1.017 -3.217 1.00 0.00 C ATOM 879 CG1 ILE A 61 4.500 0.240 -4.097 1.00 0.00 C ATOM 880 CG2 ILE A 61 5.132 0.886 -1.738 1.00 0.00 C ATOM 881 CD1 ILE A 61 3.073 0.750 -4.016 1.00 0.00 C ATOM 0 H ILE A 61 6.371 1.882 -5.463 1.00 0.00 H new ATOM 0 HA ILE A 61 4.556 2.922 -3.467 1.00 0.00 H new ATOM 0 HB ILE A 61 6.492 0.587 -3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.832 0.287 -5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.516 -0.810 -3.805 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.102 -0.168 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.877 1.399 -1.130 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.153 1.334 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.435 0.149 -4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.718 0.677 -2.988 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.040 1.791 -4.338 1.00 0.00 H new ATOM 893 N HIS A 62 6.288 4.518 -2.509 1.00 0.00 N ATOM 894 CA HIS A 62 7.232 5.400 -1.833 1.00 0.00 C ATOM 895 C HIS A 62 6.793 5.665 -0.394 1.00 0.00 C ATOM 896 O HIS A 62 5.839 6.405 -0.156 1.00 0.00 O ATOM 897 CB HIS A 62 7.337 6.721 -2.609 1.00 0.00 C ATOM 898 CG HIS A 62 8.304 7.705 -2.025 1.00 0.00 C ATOM 899 ND1 HIS A 62 8.148 8.583 -0.999 1.00 0.00 N flip ATOM 900 CD2 HIS A 62 9.582 7.902 -2.497 1.00 0.00 C flip ATOM 901 CE1 HIS A 62 9.317 9.317 -0.843 1.00 0.00 C flip ATOM 902 NE2 HIS A 62 10.147 8.868 -1.768 1.00 0.00 N flip ATOM 0 H HIS A 62 5.392 4.954 -2.728 1.00 0.00 H new ATOM 0 HA HIS A 62 8.209 4.917 -1.803 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.634 6.503 -3.635 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.350 7.182 -2.653 1.00 0.00 H new ATOM 0 HD2 HIS A 62 10.046 7.369 -3.314 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.508 10.093 -0.117 1.00 0.00 H new ATOM 0 HE2 HIS A 62 11.096 9.214 -1.907 1.00 0.00 H new ATOM 910 N GLY A 63 7.495 5.058 0.558 1.00 0.00 N ATOM 911 CA GLY A 63 7.197 5.257 1.968 1.00 0.00 C ATOM 912 C GLY A 63 8.334 5.956 2.689 1.00 0.00 C ATOM 913 O GLY A 63 9.507 5.651 2.450 1.00 0.00 O ATOM 0 H GLY A 63 8.274 4.425 0.376 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.286 5.847 2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.006 4.293 2.439 1.00 0.00 H new ATOM 917 N GLU A 64 8.001 6.897 3.568 1.00 0.00 N ATOM 918 CA GLU A 64 9.014 7.637 4.316 1.00 0.00 C ATOM 919 C GLU A 64 8.831 7.438 5.821 1.00 0.00 C ATOM 920 O GLU A 64 7.756 7.039 6.282 1.00 0.00 O ATOM 921 CB GLU A 64 8.959 9.134 3.967 1.00 0.00 C ATOM 922 CG GLU A 64 7.716 9.854 4.476 1.00 0.00 C ATOM 923 CD GLU A 64 7.771 11.355 4.228 1.00 0.00 C ATOM 924 OE1 GLU A 64 8.666 12.022 4.791 1.00 0.00 O ATOM 925 OE2 GLU A 64 6.916 11.877 3.479 1.00 0.00 O ATOM 0 H GLU A 64 7.040 7.165 3.780 1.00 0.00 H new ATOM 0 HA GLU A 64 9.993 7.249 4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.842 9.623 4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.010 9.244 2.884 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.834 9.440 3.987 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.604 9.669 5.544 1.00 0.00 H new ATOM 932 N ARG A 65 9.895 7.706 6.575 1.00 0.00 N ATOM 933 CA ARG A 65 9.864 7.618 8.034 1.00 0.00 C ATOM 934 C ARG A 65 9.280 8.912 8.588 1.00 0.00 C ATOM 935 O ARG A 65 9.805 9.988 8.314 1.00 0.00 O ATOM 936 CB ARG A 65 11.292 7.388 8.574 1.00 0.00 C ATOM 937 CG ARG A 65 11.367 6.815 9.993 1.00 0.00 C ATOM 938 CD ARG A 65 10.932 7.803 11.074 1.00 0.00 C ATOM 939 NE ARG A 65 11.085 7.234 12.416 1.00 0.00 N ATOM 940 CZ ARG A 65 10.355 7.581 13.481 1.00 0.00 C ATOM 941 NH1 ARG A 65 9.461 8.561 13.405 1.00 0.00 N ATOM 942 NH2 ARG A 65 10.540 6.961 14.638 1.00 0.00 N ATOM 0 H ARG A 65 10.798 7.989 6.195 1.00 0.00 H new ATOM 0 HA ARG A 65 9.243 6.779 8.348 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.815 6.711 7.898 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.828 8.337 8.553 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.739 5.926 10.051 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.390 6.496 10.194 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.524 8.715 10.995 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.891 8.084 10.914 1.00 0.00 H new ATOM 0 HE ARG A 65 11.802 6.520 12.547 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.324 9.060 12.526 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.911 8.815 14.226 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.238 6.221 14.714 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.984 7.224 15.452 1.00 0.00 H new ATOM 956 N GLN A 66 8.201 8.808 9.360 1.00 0.00 N ATOM 957 CA GLN A 66 7.490 9.986 9.856 1.00 0.00 C ATOM 958 C GLN A 66 8.396 10.894 10.687 1.00 0.00 C ATOM 959 O GLN A 66 8.640 10.641 11.870 1.00 0.00 O ATOM 960 CB GLN A 66 6.252 9.573 10.666 1.00 0.00 C ATOM 961 CG GLN A 66 5.239 8.780 9.850 1.00 0.00 C ATOM 962 CD GLN A 66 4.956 9.428 8.509 1.00 0.00 C ATOM 963 OE1 GLN A 66 5.641 9.154 7.527 1.00 0.00 O ATOM 964 NE2 GLN A 66 3.953 10.290 8.457 1.00 0.00 N ATOM 0 H GLN A 66 7.799 7.919 9.657 1.00 0.00 H new ATOM 0 HA GLN A 66 7.166 10.557 8.986 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.568 8.975 11.521 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.770 10.467 11.062 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.613 7.769 9.692 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.310 8.692 10.413 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.408 10.490 9.296 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.725 10.754 7.578 1.00 0.00 H new ATOM 973 N LYS A 67 8.917 11.928 10.031 1.00 0.00 N ATOM 974 CA LYS A 67 9.685 12.982 10.683 1.00 0.00 C ATOM 975 C LYS A 67 9.304 14.320 10.063 1.00 0.00 C ATOM 976 O LYS A 67 8.587 15.120 10.667 1.00 0.00 O ATOM 977 CB LYS A 67 11.200 12.754 10.523 1.00 0.00 C ATOM 978 CG LYS A 67 11.701 11.453 11.134 1.00 0.00 C ATOM 979 CD LYS A 67 13.216 11.300 11.006 1.00 0.00 C ATOM 980 CE LYS A 67 13.972 12.351 11.817 1.00 0.00 C ATOM 981 NZ LYS A 67 13.682 12.251 13.273 1.00 0.00 N ATOM 0 H LYS A 67 8.816 12.058 9.024 1.00 0.00 H new ATOM 0 HA LYS A 67 9.455 12.974 11.748 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.448 12.763 9.462 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.732 13.587 10.982 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.422 11.417 12.187 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.210 10.611 10.645 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.509 10.305 11.341 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.500 11.379 9.957 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.043 12.234 11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.702 13.345 11.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.369 12.823 13.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.721 12.602 13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.753 11.258 13.574 1.00 0.00 H new ATOM 995 N ASP A 68 9.761 14.510 8.827 1.00 0.00 N ATOM 996 CA ASP A 68 9.538 15.734 8.057 1.00 0.00 C ATOM 997 C ASP A 68 9.750 15.433 6.577 1.00 0.00 C ATOM 998 O ASP A 68 8.939 15.810 5.725 1.00 0.00 O ATOM 999 CB ASP A 68 10.504 16.848 8.497 1.00 0.00 C ATOM 1000 CG ASP A 68 10.054 17.571 9.758 1.00 0.00 C ATOM 1001 OD1 ASP A 68 8.993 18.234 9.730 1.00 0.00 O ATOM 1002 OD2 ASP A 68 10.764 17.493 10.784 1.00 0.00 O ATOM 0 H ASP A 68 10.305 13.809 8.324 1.00 0.00 H new ATOM 0 HA ASP A 68 8.519 16.078 8.232 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.491 16.418 8.666 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.606 17.572 7.688 1.00 0.00 H new ATOM 1007 N LYS A 69 10.854 14.742 6.293 1.00 0.00 N ATOM 1008 CA LYS A 69 11.209 14.317 4.941 1.00 0.00 C ATOM 1009 C LYS A 69 12.395 13.351 5.002 1.00 0.00 C ATOM 1010 O LYS A 69 13.545 13.781 5.148 1.00 0.00 O ATOM 1011 CB LYS A 69 11.550 15.537 4.065 1.00 0.00 C ATOM 1012 CG LYS A 69 12.048 15.183 2.667 1.00 0.00 C ATOM 1013 CD LYS A 69 12.347 16.432 1.840 1.00 0.00 C ATOM 1014 CE LYS A 69 13.027 16.090 0.519 1.00 0.00 C ATOM 1015 NZ LYS A 69 14.384 15.515 0.723 1.00 0.00 N ATOM 0 H LYS A 69 11.532 14.460 7.001 1.00 0.00 H new ATOM 0 HA LYS A 69 10.357 13.806 4.493 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.663 16.165 3.975 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.311 16.132 4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.949 14.574 2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.298 14.579 2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.418 16.967 1.642 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.986 17.103 2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.411 15.379 -0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.102 16.989 -0.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.907 15.533 -0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.896 16.077 1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.299 14.533 1.055 1.00 0.00 H new ATOM 1029 N LEU A 70 12.116 12.048 4.928 1.00 0.00 N ATOM 1030 CA LEU A 70 13.166 11.028 5.003 1.00 0.00 C ATOM 1031 C LEU A 70 12.681 9.731 4.346 1.00 0.00 C ATOM 1032 O LEU A 70 11.839 9.020 4.899 1.00 0.00 O ATOM 1033 CB LEU A 70 13.567 10.781 6.478 1.00 0.00 C ATOM 1034 CG LEU A 70 14.963 10.161 6.717 1.00 0.00 C ATOM 1035 CD1 LEU A 70 15.289 10.138 8.208 1.00 0.00 C ATOM 1036 CD2 LEU A 70 15.067 8.750 6.138 1.00 0.00 C ATOM 0 H LEU A 70 11.174 11.674 4.816 1.00 0.00 H new ATOM 0 HA LEU A 70 14.046 11.380 4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 70 13.520 11.732 7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.821 10.127 6.930 1.00 0.00 H new ATOM 0 HG LEU A 70 15.689 10.788 6.199 1.00 0.00 H new ATOM 0 HD11 LEU A 70 16.275 9.698 8.358 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.282 11.156 8.598 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.543 9.543 8.734 1.00 0.00 H new ATOM 0 HD21 LEU A 70 16.064 8.351 6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.323 8.108 6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.888 8.784 5.063 1.00 0.00 H new ATOM 1048 N VAL A 71 13.228 9.428 3.171 1.00 0.00 N ATOM 1049 CA VAL A 71 12.826 8.252 2.396 1.00 0.00 C ATOM 1050 C VAL A 71 13.465 6.980 2.958 1.00 0.00 C ATOM 1051 O VAL A 71 14.690 6.899 3.092 1.00 0.00 O ATOM 1052 CB VAL A 71 13.233 8.401 0.907 1.00 0.00 C ATOM 1053 CG1 VAL A 71 12.727 7.219 0.079 1.00 0.00 C ATOM 1054 CG2 VAL A 71 12.734 9.729 0.339 1.00 0.00 C ATOM 0 H VAL A 71 13.959 9.986 2.729 1.00 0.00 H new ATOM 0 HA VAL A 71 11.741 8.175 2.469 1.00 0.00 H new ATOM 0 HB VAL A 71 14.322 8.401 0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.026 7.349 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 71 13.154 6.294 0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.640 7.171 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.031 9.812 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.647 9.771 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.167 10.553 0.906 1.00 0.00 H new ATOM 1064 N VAL A 72 12.635 5.987 3.279 1.00 0.00 N ATOM 1065 CA VAL A 72 13.123 4.716 3.821 1.00 0.00 C ATOM 1066 C VAL A 72 12.676 3.531 2.965 1.00 0.00 C ATOM 1067 O VAL A 72 13.365 2.510 2.896 1.00 0.00 O ATOM 1068 CB VAL A 72 12.650 4.499 5.282 1.00 0.00 C ATOM 1069 CG1 VAL A 72 13.250 5.556 6.205 1.00 0.00 C ATOM 1070 CG2 VAL A 72 11.123 4.509 5.371 1.00 0.00 C ATOM 0 H VAL A 72 11.622 6.037 3.174 1.00 0.00 H new ATOM 0 HA VAL A 72 14.211 4.772 3.807 1.00 0.00 H new ATOM 0 HB VAL A 72 13.000 3.520 5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.906 5.386 7.225 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.338 5.491 6.174 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.936 6.547 5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.818 4.355 6.406 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.744 5.469 5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.717 3.710 4.750 1.00 0.00 H new ATOM 1080 N LEU A 73 11.530 3.671 2.303 1.00 0.00 N ATOM 1081 CA LEU A 73 10.968 2.593 1.496 1.00 0.00 C ATOM 1082 C LEU A 73 10.754 3.082 0.067 1.00 0.00 C ATOM 1083 O LEU A 73 9.981 4.010 -0.173 1.00 0.00 O ATOM 1084 CB LEU A 73 9.645 2.098 2.123 1.00 0.00 C ATOM 1085 CG LEU A 73 9.102 0.739 1.620 1.00 0.00 C ATOM 1086 CD1 LEU A 73 8.549 0.834 0.198 1.00 0.00 C ATOM 1087 CD2 LEU A 73 10.183 -0.338 1.705 1.00 0.00 C ATOM 0 H LEU A 73 10.971 4.524 2.310 1.00 0.00 H new ATOM 0 HA LEU A 73 11.662 1.753 1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.784 2.030 3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.881 2.855 1.947 1.00 0.00 H new ATOM 0 HG LEU A 73 8.275 0.459 2.273 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.179 -0.142 -0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.733 1.557 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 73 9.340 1.156 -0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.781 -1.286 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.034 -0.049 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.506 -0.449 2.740 1.00 0.00 H new ATOM 1099 N GLU A 74 11.458 2.463 -0.873 1.00 0.00 N ATOM 1100 CA GLU A 74 11.307 2.774 -2.289 1.00 0.00 C ATOM 1101 C GLU A 74 11.153 1.473 -3.068 1.00 0.00 C ATOM 1102 O GLU A 74 12.111 0.711 -3.216 1.00 0.00 O ATOM 1103 CB GLU A 74 12.521 3.588 -2.785 1.00 0.00 C ATOM 1104 CG GLU A 74 12.364 4.201 -4.182 1.00 0.00 C ATOM 1105 CD GLU A 74 12.519 3.193 -5.316 1.00 0.00 C ATOM 1106 OE1 GLU A 74 13.657 2.738 -5.558 1.00 0.00 O ATOM 1107 OE2 GLU A 74 11.518 2.868 -5.985 1.00 0.00 O ATOM 0 H GLU A 74 12.146 1.736 -0.677 1.00 0.00 H new ATOM 0 HA GLU A 74 10.417 3.383 -2.446 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.717 4.390 -2.073 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.398 2.940 -2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 74 11.382 4.669 -4.255 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.104 4.992 -4.307 1.00 0.00 H new ATOM 1114 N CYS A 75 9.937 1.211 -3.530 1.00 0.00 N ATOM 1115 CA CYS A 75 9.643 0.009 -4.297 1.00 0.00 C ATOM 1116 C CYS A 75 8.785 0.362 -5.511 1.00 0.00 C ATOM 1117 O CYS A 75 7.559 0.234 -5.489 1.00 0.00 O ATOM 1118 CB CYS A 75 8.943 -1.033 -3.410 1.00 0.00 C ATOM 1119 SG CYS A 75 8.558 -2.594 -4.236 1.00 0.00 S ATOM 0 H CYS A 75 9.133 1.821 -3.385 1.00 0.00 H new ATOM 0 HA CYS A 75 10.578 -0.425 -4.652 1.00 0.00 H new ATOM 0 HB2 CYS A 75 9.577 -1.241 -2.548 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.017 -0.602 -3.028 1.00 0.00 H new ATOM 0 HG CYS A 75 7.872 -2.357 -5.314 1.00 0.00 H new ATOM 1125 N TYR A 76 9.436 0.875 -6.550 1.00 0.00 N ATOM 1126 CA TYR A 76 8.764 1.168 -7.809 1.00 0.00 C ATOM 1127 C TYR A 76 8.441 -0.129 -8.541 1.00 0.00 C ATOM 1128 O TYR A 76 9.326 -0.774 -9.103 1.00 0.00 O ATOM 1129 CB TYR A 76 9.636 2.076 -8.688 1.00 0.00 C ATOM 1130 CG TYR A 76 9.071 2.335 -10.079 1.00 0.00 C ATOM 1131 CD1 TYR A 76 7.881 3.034 -10.250 1.00 0.00 C ATOM 1132 CD2 TYR A 76 9.730 1.880 -11.217 1.00 0.00 C ATOM 1133 CE1 TYR A 76 7.366 3.273 -11.509 1.00 0.00 C ATOM 1134 CE2 TYR A 76 9.219 2.116 -12.480 1.00 0.00 C ATOM 1135 CZ TYR A 76 8.038 2.812 -12.620 1.00 0.00 C ATOM 1136 OH TYR A 76 7.528 3.047 -13.878 1.00 0.00 O ATOM 0 H TYR A 76 10.432 1.097 -6.544 1.00 0.00 H new ATOM 0 HA TYR A 76 7.833 1.693 -7.594 1.00 0.00 H new ATOM 0 HB2 TYR A 76 9.772 3.031 -8.180 1.00 0.00 H new ATOM 0 HB3 TYR A 76 10.623 1.625 -8.788 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.350 3.397 -9.382 1.00 0.00 H new ATOM 0 HD2 TYR A 76 10.656 1.334 -11.112 1.00 0.00 H new ATOM 0 HE1 TYR A 76 6.441 3.819 -11.622 1.00 0.00 H new ATOM 0 HE2 TYR A 76 9.743 1.756 -13.353 1.00 0.00 H new ATOM 0 HH TYR A 76 6.566 2.862 -13.881 1.00 0.00 H new ATOM 1146 N VAL A 77 7.173 -0.514 -8.522 1.00 0.00 N ATOM 1147 CA VAL A 77 6.736 -1.715 -9.208 1.00 0.00 C ATOM 1148 C VAL A 77 6.547 -1.398 -10.686 1.00 0.00 C ATOM 1149 O VAL A 77 5.694 -0.589 -11.066 1.00 0.00 O ATOM 1150 CB VAL A 77 5.433 -2.301 -8.594 1.00 0.00 C ATOM 1151 CG1 VAL A 77 5.659 -2.698 -7.137 1.00 0.00 C ATOM 1152 CG2 VAL A 77 4.265 -1.325 -8.704 1.00 0.00 C ATOM 0 H VAL A 77 6.430 -0.010 -8.038 1.00 0.00 H new ATOM 0 HA VAL A 77 7.503 -2.480 -9.089 1.00 0.00 H new ATOM 0 HB VAL A 77 5.173 -3.191 -9.167 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.737 -3.106 -6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.445 -3.451 -7.083 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.957 -1.821 -6.563 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.374 -1.773 -8.264 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.509 -0.405 -8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.077 -1.100 -9.754 1.00 0.00 H new ATOM 1162 N ARG A 78 7.370 -2.012 -11.522 1.00 0.00 N ATOM 1163 CA ARG A 78 7.383 -1.697 -12.943 1.00 0.00 C ATOM 1164 C ARG A 78 6.267 -2.471 -13.640 1.00 0.00 C ATOM 1165 O ARG A 78 6.527 -3.329 -14.482 1.00 0.00 O ATOM 1166 CB ARG A 78 8.753 -2.028 -13.580 1.00 0.00 C ATOM 1167 CG ARG A 78 9.971 -1.528 -12.790 1.00 0.00 C ATOM 1168 CD ARG A 78 10.300 -2.440 -11.610 1.00 0.00 C ATOM 1169 NE ARG A 78 11.420 -1.946 -10.804 1.00 0.00 N ATOM 1170 CZ ARG A 78 12.125 -2.707 -9.966 1.00 0.00 C ATOM 1171 NH1 ARG A 78 11.821 -3.992 -9.811 1.00 0.00 N ATOM 1172 NH2 ARG A 78 13.125 -2.176 -9.274 1.00 0.00 N ATOM 0 H ARG A 78 8.037 -2.731 -11.242 1.00 0.00 H new ATOM 0 HA ARG A 78 7.217 -0.627 -13.066 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.832 -3.109 -13.695 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.786 -1.597 -14.581 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.834 -1.468 -13.453 1.00 0.00 H new ATOM 0 HG3 ARG A 78 9.778 -0.519 -12.426 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.418 -2.539 -10.977 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.538 -3.436 -11.982 1.00 0.00 H new ATOM 0 HE ARG A 78 11.675 -0.962 -10.889 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.046 -4.399 -10.334 1.00 0.00 H new ATOM 0 HH12 ARG A 78 12.363 -4.570 -9.169 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.353 -1.188 -9.384 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.666 -2.756 -8.632 1.00 0.00 H new ATOM 1186 N LYS A 79 5.026 -2.189 -13.230 1.00 0.00 N ATOM 1187 CA LYS A 79 3.842 -2.942 -13.664 1.00 0.00 C ATOM 1188 C LYS A 79 3.848 -4.367 -13.089 1.00 0.00 C ATOM 1189 O LYS A 79 2.900 -5.130 -13.281 1.00 0.00 O ATOM 1190 CB LYS A 79 3.714 -2.956 -15.197 1.00 0.00 C ATOM 1191 CG LYS A 79 3.320 -1.600 -15.784 1.00 0.00 C ATOM 1192 CD LYS A 79 3.237 -1.636 -17.311 1.00 0.00 C ATOM 1193 CE LYS A 79 4.608 -1.825 -17.954 1.00 0.00 C ATOM 1194 NZ LYS A 79 5.509 -0.671 -17.688 1.00 0.00 N ATOM 0 H LYS A 79 4.812 -1.429 -12.585 1.00 0.00 H new ATOM 0 HA LYS A 79 2.964 -2.430 -13.269 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.663 -3.270 -15.631 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.970 -3.699 -15.486 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.356 -1.295 -15.376 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.048 -0.848 -15.479 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.577 -2.447 -17.619 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.792 -0.709 -17.672 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.065 -2.738 -17.573 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.490 -1.953 -19.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.331 -0.719 -18.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 4.994 0.217 -17.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.833 -0.704 -16.700 1.00 0.00 H new ATOM 1208 N ASP A 80 4.916 -4.703 -12.365 1.00 0.00 N ATOM 1209 CA ASP A 80 5.016 -5.972 -11.646 1.00 0.00 C ATOM 1210 C ASP A 80 4.508 -5.771 -10.223 1.00 0.00 C ATOM 1211 O ASP A 80 5.275 -5.458 -9.312 1.00 0.00 O ATOM 1212 CB ASP A 80 6.475 -6.473 -11.648 1.00 0.00 C ATOM 1213 CG ASP A 80 6.685 -7.734 -10.813 1.00 0.00 C ATOM 1214 OD1 ASP A 80 5.988 -8.743 -11.062 1.00 0.00 O ATOM 1215 OD2 ASP A 80 7.556 -7.724 -9.915 1.00 0.00 O ATOM 0 H ASP A 80 5.735 -4.104 -12.261 1.00 0.00 H new ATOM 0 HA ASP A 80 4.406 -6.729 -12.140 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.782 -6.671 -12.675 1.00 0.00 H new ATOM 0 HB3 ASP A 80 7.123 -5.683 -11.269 1.00 0.00 H new ATOM 1220 N LEU A 81 3.195 -5.897 -10.054 1.00 0.00 N ATOM 1221 CA LEU A 81 2.544 -5.605 -8.780 1.00 0.00 C ATOM 1222 C LEU A 81 1.610 -6.752 -8.396 1.00 0.00 C ATOM 1223 O LEU A 81 0.545 -6.927 -8.994 1.00 0.00 O ATOM 1224 CB LEU A 81 1.758 -4.278 -8.891 1.00 0.00 C ATOM 1225 CG LEU A 81 1.509 -3.508 -7.574 1.00 0.00 C ATOM 1226 CD1 LEU A 81 0.745 -2.214 -7.847 1.00 0.00 C ATOM 1227 CD2 LEU A 81 0.759 -4.360 -6.553 1.00 0.00 C ATOM 0 H LEU A 81 2.557 -6.202 -10.789 1.00 0.00 H new ATOM 0 HA LEU A 81 3.300 -5.501 -8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.295 -3.620 -9.574 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.792 -4.492 -9.348 1.00 0.00 H new ATOM 0 HG LEU A 81 2.483 -3.263 -7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.579 -1.685 -6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.326 -1.584 -8.521 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.215 -2.448 -8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.604 -3.783 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.206 -4.655 -6.964 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.343 -5.251 -6.323 1.00 0.00 H new ATOM 1239 N VAL A 82 2.020 -7.538 -7.404 1.00 0.00 N ATOM 1240 CA VAL A 82 1.198 -8.628 -6.891 1.00 0.00 C ATOM 1241 C VAL A 82 0.985 -8.467 -5.387 1.00 0.00 C ATOM 1242 O VAL A 82 1.810 -8.902 -4.580 1.00 0.00 O ATOM 1243 CB VAL A 82 1.829 -10.018 -7.188 1.00 0.00 C ATOM 1244 CG1 VAL A 82 0.929 -11.145 -6.678 1.00 0.00 C ATOM 1245 CG2 VAL A 82 2.105 -10.178 -8.681 1.00 0.00 C ATOM 0 H VAL A 82 2.922 -7.439 -6.938 1.00 0.00 H new ATOM 0 HA VAL A 82 0.237 -8.580 -7.403 1.00 0.00 H new ATOM 0 HB VAL A 82 2.779 -10.079 -6.658 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.391 -12.107 -6.897 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.794 -11.044 -5.601 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.041 -11.088 -7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.546 -11.157 -8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.171 -10.090 -9.235 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.796 -9.401 -9.009 1.00 0.00 H new ATOM 1255 N TYR A 83 -0.109 -7.802 -5.020 1.00 0.00 N ATOM 1256 CA TYR A 83 -0.458 -7.595 -3.616 1.00 0.00 C ATOM 1257 C TYR A 83 -1.146 -8.837 -3.060 1.00 0.00 C ATOM 1258 O TYR A 83 -2.327 -9.071 -3.323 1.00 0.00 O ATOM 1259 CB TYR A 83 -1.373 -6.365 -3.454 1.00 0.00 C ATOM 1260 CG TYR A 83 -0.743 -5.218 -2.678 1.00 0.00 C ATOM 1261 CD1 TYR A 83 0.387 -4.562 -3.153 1.00 0.00 C ATOM 1262 CD2 TYR A 83 -1.283 -4.794 -1.469 1.00 0.00 C ATOM 1263 CE1 TYR A 83 0.957 -3.518 -2.448 1.00 0.00 C ATOM 1264 CE2 TYR A 83 -0.719 -3.752 -0.760 1.00 0.00 C ATOM 1265 CZ TYR A 83 0.401 -3.119 -1.252 1.00 0.00 C ATOM 1266 OH TYR A 83 0.966 -2.083 -0.546 1.00 0.00 O ATOM 0 H TYR A 83 -0.772 -7.395 -5.680 1.00 0.00 H new ATOM 0 HA TYR A 83 0.460 -7.415 -3.057 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -1.659 -6.006 -4.443 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -2.289 -6.671 -2.949 1.00 0.00 H new ATOM 0 HD1 TYR A 83 0.827 -4.873 -4.089 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.160 -5.289 -1.077 1.00 0.00 H new ATOM 0 HE1 TYR A 83 1.833 -3.018 -2.833 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.154 -3.435 0.176 1.00 0.00 H new ATOM 0 HH TYR A 83 1.839 -2.362 -0.199 1.00 0.00 H new ATOM 1276 N THR A 84 -0.401 -9.638 -2.315 1.00 0.00 N ATOM 1277 CA THR A 84 -0.945 -10.839 -1.701 1.00 0.00 C ATOM 1278 C THR A 84 -1.472 -10.510 -0.302 1.00 0.00 C ATOM 1279 O THR A 84 -0.766 -9.911 0.512 1.00 0.00 O ATOM 1280 CB THR A 84 0.127 -11.948 -1.623 1.00 0.00 C ATOM 1281 OG1 THR A 84 0.742 -12.110 -2.912 1.00 0.00 O ATOM 1282 CG2 THR A 84 -0.481 -13.278 -1.178 1.00 0.00 C ATOM 0 H THR A 84 0.587 -9.477 -2.120 1.00 0.00 H new ATOM 0 HA THR A 84 -1.767 -11.205 -2.317 1.00 0.00 H new ATOM 0 HB THR A 84 0.873 -11.651 -0.886 1.00 0.00 H new ATOM 0 HG1 THR A 84 1.424 -12.812 -2.863 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.299 -14.038 -1.133 1.00 0.00 H new ATOM 0 HG22 THR A 84 -0.931 -13.161 -0.192 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.246 -13.585 -1.891 1.00 0.00 H new ATOM 1290 N LYS A 85 -2.723 -10.871 -0.040 1.00 0.00 N ATOM 1291 CA LYS A 85 -3.357 -10.573 1.240 1.00 0.00 C ATOM 1292 C LYS A 85 -3.195 -11.743 2.214 1.00 0.00 C ATOM 1293 O LYS A 85 -3.755 -12.824 2.011 1.00 0.00 O ATOM 1294 CB LYS A 85 -4.844 -10.238 1.027 1.00 0.00 C ATOM 1295 CG LYS A 85 -5.632 -11.323 0.295 1.00 0.00 C ATOM 1296 CD LYS A 85 -7.083 -10.912 0.058 1.00 0.00 C ATOM 1297 CE LYS A 85 -7.890 -12.031 -0.587 1.00 0.00 C ATOM 1298 NZ LYS A 85 -7.330 -12.441 -1.901 1.00 0.00 N ATOM 0 H LYS A 85 -3.320 -11.372 -0.698 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.865 -9.705 1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.307 -10.060 1.997 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.918 -9.308 0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.154 -11.536 -0.661 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.606 -12.245 0.876 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.541 -10.634 1.007 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.111 -10.029 -0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.913 -12.892 0.081 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.921 -11.703 -0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.990 -13.092 -2.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.190 -11.600 -2.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.418 -12.918 -1.756 1.00 0.00 H new ATOM 1312 N ALA A 86 -2.398 -11.531 3.259 1.00 0.00 N ATOM 1313 CA ALA A 86 -2.227 -12.527 4.314 1.00 0.00 C ATOM 1314 C ALA A 86 -3.265 -12.297 5.403 1.00 0.00 C ATOM 1315 O ALA A 86 -3.898 -13.234 5.891 1.00 0.00 O ATOM 1316 CB ALA A 86 -0.818 -12.463 4.895 1.00 0.00 C ATOM 0 H ALA A 86 -1.859 -10.676 3.398 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.369 -13.521 3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.713 -13.213 5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.090 -12.657 4.107 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.642 -11.473 5.315 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.437 -11.031 5.764 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.432 -10.613 6.749 1.00 0.00 C ATOM 1324 C ASN A 87 -5.094 -9.332 6.257 1.00 0.00 C ATOM 1325 O ASN A 87 -4.485 -8.585 5.490 1.00 0.00 O ATOM 1326 CB ASN A 87 -3.781 -10.359 8.124 1.00 0.00 C ATOM 1327 CG ASN A 87 -3.232 -11.616 8.783 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -3.776 -12.710 8.626 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -2.151 -11.467 9.533 1.00 0.00 N ATOM 0 H ASN A 87 -2.889 -10.261 5.381 1.00 0.00 H new ATOM 0 HA ASN A 87 -5.170 -11.407 6.866 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.972 -9.639 8.005 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.518 -9.904 8.786 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.742 -12.274 10.004 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.728 -10.545 9.640 1.00 0.00 H new ATOM 1336 N PRO A 88 -6.342 -9.050 6.674 1.00 0.00 N ATOM 1337 CA PRO A 88 -7.030 -7.806 6.302 1.00 0.00 C ATOM 1338 C PRO A 88 -6.215 -6.563 6.679 1.00 0.00 C ATOM 1339 O PRO A 88 -6.336 -5.511 6.046 1.00 0.00 O ATOM 1340 CB PRO A 88 -8.345 -7.868 7.093 1.00 0.00 C ATOM 1341 CG PRO A 88 -8.566 -9.323 7.340 1.00 0.00 C ATOM 1342 CD PRO A 88 -7.194 -9.922 7.511 1.00 0.00 C ATOM 0 HA PRO A 88 -7.182 -7.725 5.226 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.272 -7.314 8.029 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.169 -7.432 6.528 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.175 -9.481 8.230 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.094 -9.786 6.506 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.878 -9.914 8.554 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.162 -10.959 7.176 1.00 0.00 H new ATOM 1350 N THR A 89 -5.384 -6.700 7.713 1.00 0.00 N ATOM 1351 CA THR A 89 -4.522 -5.613 8.177 1.00 0.00 C ATOM 1352 C THR A 89 -3.055 -5.842 7.788 1.00 0.00 C ATOM 1353 O THR A 89 -2.174 -5.094 8.211 1.00 0.00 O ATOM 1354 CB THR A 89 -4.633 -5.445 9.712 1.00 0.00 C ATOM 1355 OG1 THR A 89 -4.590 -6.735 10.345 1.00 0.00 O ATOM 1356 CG2 THR A 89 -5.923 -4.726 10.099 1.00 0.00 C ATOM 0 H THR A 89 -5.290 -7.562 8.250 1.00 0.00 H new ATOM 0 HA THR A 89 -4.865 -4.701 7.688 1.00 0.00 H new ATOM 0 HB THR A 89 -3.792 -4.840 10.049 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.659 -6.625 11.316 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.971 -4.624 11.183 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.940 -3.738 9.640 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.780 -5.303 9.751 1.00 0.00 H new ATOM 1364 N PHE A 90 -2.798 -6.858 6.963 1.00 0.00 N ATOM 1365 CA PHE A 90 -1.437 -7.175 6.527 1.00 0.00 C ATOM 1366 C PHE A 90 -1.431 -7.586 5.051 1.00 0.00 C ATOM 1367 O PHE A 90 -1.825 -8.704 4.698 1.00 0.00 O ATOM 1368 CB PHE A 90 -0.828 -8.293 7.403 1.00 0.00 C ATOM 1369 CG PHE A 90 0.600 -8.670 7.046 1.00 0.00 C ATOM 1370 CD1 PHE A 90 0.866 -9.479 5.948 1.00 0.00 C ATOM 1371 CD2 PHE A 90 1.679 -8.219 7.806 1.00 0.00 C ATOM 1372 CE1 PHE A 90 2.158 -9.826 5.615 1.00 0.00 C ATOM 1373 CE2 PHE A 90 2.972 -8.567 7.473 1.00 0.00 C ATOM 1374 CZ PHE A 90 3.210 -9.370 6.378 1.00 0.00 C ATOM 0 H PHE A 90 -3.515 -7.476 6.583 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.824 -6.281 6.641 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.856 -7.976 8.445 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.455 -9.181 7.323 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.047 -9.842 5.345 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.500 -7.590 8.665 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.345 -10.455 4.757 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.798 -8.210 8.070 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.222 -9.642 6.118 1.00 0.00 H new ATOM 1384 N HIS A 91 -1.003 -6.664 4.197 1.00 0.00 N ATOM 1385 CA HIS A 91 -0.821 -6.936 2.772 1.00 0.00 C ATOM 1386 C HIS A 91 0.667 -6.999 2.452 1.00 0.00 C ATOM 1387 O HIS A 91 1.426 -6.127 2.865 1.00 0.00 O ATOM 1388 CB HIS A 91 -1.481 -5.844 1.918 1.00 0.00 C ATOM 1389 CG HIS A 91 -2.919 -6.096 1.577 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -3.979 -5.670 2.343 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -3.462 -6.717 0.498 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -5.107 -6.032 1.721 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -4.848 -6.674 0.596 1.00 0.00 N ATOM 0 H HIS A 91 -0.772 -5.709 4.469 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.292 -7.891 2.540 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -1.409 -4.894 2.448 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.916 -5.736 0.992 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -2.905 -7.172 -0.308 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -6.101 -5.826 2.091 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -5.524 -7.058 -0.064 1.00 0.00 H new ATOM 1401 N HIS A 92 1.084 -8.026 1.722 1.00 0.00 N ATOM 1402 CA HIS A 92 2.482 -8.159 1.326 1.00 0.00 C ATOM 1403 C HIS A 92 2.586 -8.347 -0.182 1.00 0.00 C ATOM 1404 O HIS A 92 1.888 -9.182 -0.763 1.00 0.00 O ATOM 1405 CB HIS A 92 3.157 -9.327 2.072 1.00 0.00 C ATOM 1406 CG HIS A 92 2.548 -10.673 1.808 1.00 0.00 C ATOM 1407 ND1 HIS A 92 3.177 -11.677 1.104 1.00 0.00 N ATOM 1408 CD2 HIS A 92 1.347 -11.181 2.188 1.00 0.00 C ATOM 1409 CE1 HIS A 92 2.360 -12.735 1.076 1.00 0.00 C ATOM 1410 NE2 HIS A 92 1.236 -12.488 1.721 1.00 0.00 N ATOM 0 H HIS A 92 0.477 -8.777 1.393 1.00 0.00 H new ATOM 0 HA HIS A 92 3.006 -7.243 1.598 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.210 -9.358 1.793 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.117 -9.128 3.143 1.00 0.00 H new ATOM 0 HD2 HIS A 92 0.598 -10.655 2.761 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.590 -13.671 0.588 1.00 0.00 H new ATOM 0 HE2 HIS A 92 0.449 -13.123 1.851 1.00 0.00 H new ATOM 1418 N TRP A 93 3.437 -7.549 -0.818 1.00 0.00 N ATOM 1419 CA TRP A 93 3.636 -7.643 -2.259 1.00 0.00 C ATOM 1420 C TRP A 93 5.017 -8.207 -2.560 1.00 0.00 C ATOM 1421 O TRP A 93 5.960 -8.022 -1.786 1.00 0.00 O ATOM 1422 CB TRP A 93 3.439 -6.279 -2.939 1.00 0.00 C ATOM 1423 CG TRP A 93 4.469 -5.239 -2.589 1.00 0.00 C ATOM 1424 CD1 TRP A 93 5.579 -4.911 -3.315 1.00 0.00 C ATOM 1425 CD2 TRP A 93 4.475 -4.378 -1.442 1.00 0.00 C ATOM 1426 NE1 TRP A 93 6.272 -3.904 -2.692 1.00 0.00 N ATOM 1427 CE2 TRP A 93 5.617 -3.561 -1.540 1.00 0.00 C ATOM 1428 CE3 TRP A 93 3.630 -4.221 -0.340 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 5.932 -2.601 -0.582 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 3.944 -3.269 0.611 1.00 0.00 C ATOM 1431 CH2 TRP A 93 5.085 -2.468 0.484 1.00 0.00 C ATOM 0 H TRP A 93 3.999 -6.832 -0.359 1.00 0.00 H new ATOM 0 HA TRP A 93 2.886 -8.321 -2.665 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.444 -6.424 -4.019 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.454 -5.896 -2.673 1.00 0.00 H new ATOM 0 HD1 TRP A 93 5.869 -5.377 -4.245 1.00 0.00 H new ATOM 0 HE1 TRP A 93 7.135 -3.480 -3.032 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.747 -4.833 -0.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.813 -1.984 -0.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.298 -3.141 1.467 1.00 0.00 H new ATOM 0 HH2 TRP A 93 5.301 -1.730 1.243 1.00 0.00 H new ATOM 1442 N LYS A 94 5.123 -8.909 -3.680 1.00 0.00 N ATOM 1443 CA LYS A 94 6.366 -9.547 -4.084 1.00 0.00 C ATOM 1444 C LYS A 94 6.917 -8.873 -5.335 1.00 0.00 C ATOM 1445 O LYS A 94 6.240 -8.806 -6.364 1.00 0.00 O ATOM 1446 CB LYS A 94 6.118 -11.053 -4.317 1.00 0.00 C ATOM 1447 CG LYS A 94 7.336 -11.855 -4.794 1.00 0.00 C ATOM 1448 CD LYS A 94 7.485 -11.828 -6.316 1.00 0.00 C ATOM 1449 CE LYS A 94 8.645 -12.688 -6.795 1.00 0.00 C ATOM 1450 NZ LYS A 94 8.734 -12.711 -8.278 1.00 0.00 N ATOM 0 H LYS A 94 4.351 -9.051 -4.332 1.00 0.00 H new ATOM 0 HA LYS A 94 7.110 -9.439 -3.294 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.757 -11.492 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.321 -11.163 -5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.238 -11.450 -4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.243 -12.888 -4.458 1.00 0.00 H new ATOM 0 HD2 LYS A 94 6.561 -12.178 -6.776 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.636 -10.800 -6.646 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.578 -12.306 -6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.523 -13.705 -6.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.500 -13.663 -8.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.064 -12.023 -8.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.700 -12.463 -8.572 1.00 0.00 H new ATOM 1464 N VAL A 95 8.141 -8.366 -5.236 1.00 0.00 N ATOM 1465 CA VAL A 95 8.826 -7.751 -6.368 1.00 0.00 C ATOM 1466 C VAL A 95 10.178 -8.423 -6.590 1.00 0.00 C ATOM 1467 O VAL A 95 10.976 -8.557 -5.655 1.00 0.00 O ATOM 1468 CB VAL A 95 9.023 -6.225 -6.174 1.00 0.00 C ATOM 1469 CG1 VAL A 95 7.680 -5.502 -6.196 1.00 0.00 C ATOM 1470 CG2 VAL A 95 9.774 -5.928 -4.877 1.00 0.00 C ATOM 0 H VAL A 95 8.685 -8.369 -4.373 1.00 0.00 H new ATOM 0 HA VAL A 95 8.195 -7.893 -7.245 1.00 0.00 H new ATOM 0 HB VAL A 95 9.626 -5.856 -7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.840 -4.433 -6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 95 7.189 -5.675 -7.154 1.00 0.00 H new ATOM 0 HG13 VAL A 95 7.050 -5.881 -5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.898 -4.851 -4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.207 -6.316 -4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.754 -6.405 -4.907 1.00 0.00 H new ATOM 1480 N ASP A 96 10.410 -8.863 -7.825 1.00 0.00 N ATOM 1481 CA ASP A 96 11.647 -9.548 -8.207 1.00 0.00 C ATOM 1482 C ASP A 96 11.844 -10.821 -7.383 1.00 0.00 C ATOM 1483 O ASP A 96 11.531 -11.924 -7.841 1.00 0.00 O ATOM 1484 CB ASP A 96 12.873 -8.622 -8.068 1.00 0.00 C ATOM 1485 CG ASP A 96 12.848 -7.455 -9.046 1.00 0.00 C ATOM 1486 OD1 ASP A 96 12.971 -7.698 -10.267 1.00 0.00 O ATOM 1487 OD2 ASP A 96 12.712 -6.292 -8.604 1.00 0.00 O ATOM 0 H ASP A 96 9.746 -8.755 -8.592 1.00 0.00 H new ATOM 0 HA ASP A 96 11.554 -9.826 -9.257 1.00 0.00 H new ATOM 0 HB2 ASP A 96 12.916 -8.235 -7.050 1.00 0.00 H new ATOM 0 HB3 ASP A 96 13.781 -9.203 -8.227 1.00 0.00 H new ATOM 1492 N ASN A 97 12.337 -10.664 -6.155 1.00 0.00 N ATOM 1493 CA ASN A 97 12.641 -11.803 -5.290 1.00 0.00 C ATOM 1494 C ASN A 97 12.105 -11.593 -3.873 1.00 0.00 C ATOM 1495 O ASN A 97 11.772 -12.562 -3.186 1.00 0.00 O ATOM 1496 CB ASN A 97 14.161 -12.046 -5.230 1.00 0.00 C ATOM 1497 CG ASN A 97 14.751 -12.495 -6.559 1.00 0.00 C ATOM 1498 OD1 ASN A 97 14.086 -13.149 -7.365 1.00 0.00 O ATOM 1499 ND2 ASN A 97 16.012 -12.159 -6.790 1.00 0.00 N ATOM 0 H ASN A 97 12.535 -9.755 -5.736 1.00 0.00 H new ATOM 0 HA ASN A 97 12.148 -12.675 -5.720 1.00 0.00 H new ATOM 0 HB2 ASN A 97 14.656 -11.129 -4.912 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.372 -12.801 -4.473 1.00 0.00 H new ATOM 0 HD21 ASN A 97 16.464 -12.443 -7.659 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.530 -11.617 -6.099 1.00 0.00 H new ATOM 1506 N ARG A 98 12.000 -10.335 -3.435 1.00 0.00 N ATOM 1507 CA ARG A 98 11.664 -10.047 -2.041 1.00 0.00 C ATOM 1508 C ARG A 98 10.215 -9.611 -1.869 1.00 0.00 C ATOM 1509 O ARG A 98 9.569 -9.139 -2.807 1.00 0.00 O ATOM 1510 CB ARG A 98 12.618 -9.002 -1.446 1.00 0.00 C ATOM 1511 CG ARG A 98 13.986 -9.581 -1.110 1.00 0.00 C ATOM 1512 CD ARG A 98 14.804 -8.669 -0.201 1.00 0.00 C ATOM 1513 NE ARG A 98 15.879 -9.413 0.457 1.00 0.00 N ATOM 1514 CZ ARG A 98 16.568 -8.982 1.514 1.00 0.00 C ATOM 1515 NH1 ARG A 98 16.366 -7.767 2.009 1.00 0.00 N ATOM 1516 NH2 ARG A 98 17.463 -9.776 2.080 1.00 0.00 N ATOM 0 H ARG A 98 12.141 -9.510 -4.018 1.00 0.00 H new ATOM 0 HA ARG A 98 11.786 -10.981 -1.492 1.00 0.00 H new ATOM 0 HB2 ARG A 98 12.739 -8.181 -2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 98 12.174 -8.582 -0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 98 13.857 -10.549 -0.626 1.00 0.00 H new ATOM 0 HG3 ARG A 98 14.538 -9.757 -2.033 1.00 0.00 H new ATOM 0 HD2 ARG A 98 15.227 -7.852 -0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 98 14.154 -8.221 0.550 1.00 0.00 H new ATOM 0 HE ARG A 98 16.119 -10.329 0.079 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.676 -7.150 1.580 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.900 -7.451 2.818 1.00 0.00 H new ATOM 0 HH21 ARG A 98 17.623 -10.712 1.707 1.00 0.00 H new ATOM 0 HH22 ARG A 98 17.993 -9.452 2.889 1.00 0.00 H new ATOM 1530 N LYS A 99 9.717 -9.808 -0.650 1.00 0.00 N ATOM 1531 CA LYS A 99 8.351 -9.462 -0.279 1.00 0.00 C ATOM 1532 C LYS A 99 8.365 -8.403 0.821 1.00 0.00 C ATOM 1533 O LYS A 99 9.163 -8.484 1.760 1.00 0.00 O ATOM 1534 CB LYS A 99 7.585 -10.708 0.214 1.00 0.00 C ATOM 1535 CG LYS A 99 7.166 -11.693 -0.889 1.00 0.00 C ATOM 1536 CD LYS A 99 7.953 -13.007 -0.867 1.00 0.00 C ATOM 1537 CE LYS A 99 9.406 -12.824 -1.287 1.00 0.00 C ATOM 1538 NZ LYS A 99 10.118 -14.120 -1.433 1.00 0.00 N ATOM 0 H LYS A 99 10.257 -10.216 0.113 1.00 0.00 H new ATOM 0 HA LYS A 99 7.845 -9.068 -1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.208 -11.237 0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 99 6.692 -10.380 0.745 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.104 -11.913 -0.784 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.298 -11.216 -1.860 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.919 -13.430 0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 99 7.474 -13.725 -1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 99 9.443 -12.283 -2.233 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.921 -12.210 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.923 -14.003 -2.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.465 -14.432 -0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.466 -14.833 -1.817 1.00 0.00 H new ATOM 1552 N PHE A 100 7.492 -7.411 0.698 1.00 0.00 N ATOM 1553 CA PHE A 100 7.354 -6.367 1.710 1.00 0.00 C ATOM 1554 C PHE A 100 5.908 -6.336 2.197 1.00 0.00 C ATOM 1555 O PHE A 100 4.982 -6.435 1.391 1.00 0.00 O ATOM 1556 CB PHE A 100 7.764 -5.003 1.135 1.00 0.00 C ATOM 1557 CG PHE A 100 9.104 -5.020 0.434 1.00 0.00 C ATOM 1558 CD1 PHE A 100 10.271 -5.284 1.137 1.00 0.00 C ATOM 1559 CD2 PHE A 100 9.192 -4.775 -0.931 1.00 0.00 C ATOM 1560 CE1 PHE A 100 11.496 -5.304 0.494 1.00 0.00 C ATOM 1561 CE2 PHE A 100 10.414 -4.794 -1.576 1.00 0.00 C ATOM 1562 CZ PHE A 100 11.566 -5.058 -0.863 1.00 0.00 C ATOM 0 H PHE A 100 6.864 -7.306 -0.099 1.00 0.00 H new ATOM 0 HA PHE A 100 8.013 -6.585 2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 100 7.000 -4.670 0.433 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.795 -4.272 1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 100 10.222 -5.476 2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.294 -4.567 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 100 12.397 -5.512 1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 100 10.468 -4.602 -2.638 1.00 0.00 H new ATOM 0 HZ PHE A 100 12.522 -5.072 -1.366 1.00 0.00 H new ATOM 1572 N GLY A 101 5.715 -6.207 3.510 1.00 0.00 N ATOM 1573 CA GLY A 101 4.388 -6.359 4.091 1.00 0.00 C ATOM 1574 C GLY A 101 3.866 -5.088 4.728 1.00 0.00 C ATOM 1575 O GLY A 101 4.252 -4.737 5.843 1.00 0.00 O ATOM 0 H GLY A 101 6.454 -6.000 4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 101 3.693 -6.680 3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.415 -7.149 4.841 1.00 0.00 H new ATOM 1579 N LEU A 102 2.983 -4.397 4.022 1.00 0.00 N ATOM 1580 CA LEU A 102 2.353 -3.191 4.540 1.00 0.00 C ATOM 1581 C LEU A 102 1.304 -3.580 5.587 1.00 0.00 C ATOM 1582 O LEU A 102 0.225 -4.078 5.250 1.00 0.00 O ATOM 1583 CB LEU A 102 1.716 -2.388 3.387 1.00 0.00 C ATOM 1584 CG LEU A 102 1.521 -0.877 3.631 1.00 0.00 C ATOM 1585 CD1 LEU A 102 1.051 -0.186 2.355 1.00 0.00 C ATOM 1586 CD2 LEU A 102 0.535 -0.613 4.767 1.00 0.00 C ATOM 0 H LEU A 102 2.685 -4.654 3.081 1.00 0.00 H new ATOM 0 HA LEU A 102 3.103 -2.557 5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.336 -2.514 2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.744 -2.826 3.161 1.00 0.00 H new ATOM 0 HG LEU A 102 2.487 -0.465 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.919 0.879 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.795 -0.325 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.103 -0.618 2.035 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.423 0.462 4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.433 -1.048 4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.910 -1.064 5.686 1.00 0.00 H new ATOM 1598 N THR A 103 1.643 -3.381 6.855 1.00 0.00 N ATOM 1599 CA THR A 103 0.748 -3.698 7.959 1.00 0.00 C ATOM 1600 C THR A 103 -0.003 -2.443 8.405 1.00 0.00 C ATOM 1601 O THR A 103 0.599 -1.480 8.890 1.00 0.00 O ATOM 1602 CB THR A 103 1.535 -4.294 9.147 1.00 0.00 C ATOM 1603 OG1 THR A 103 2.400 -5.335 8.671 1.00 0.00 O ATOM 1604 CG2 THR A 103 0.595 -4.861 10.209 1.00 0.00 C ATOM 0 H THR A 103 2.542 -2.997 7.145 1.00 0.00 H new ATOM 0 HA THR A 103 0.028 -4.440 7.615 1.00 0.00 H new ATOM 0 HB THR A 103 2.121 -3.496 9.602 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.860 -6.072 8.317 1.00 0.00 H new ATOM 0 HG21 THR A 103 1.181 -5.273 11.031 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.050 -4.067 10.585 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.017 -5.649 9.770 1.00 0.00 H new ATOM 1612 N PHE A 104 -1.317 -2.457 8.223 1.00 0.00 N ATOM 1613 CA PHE A 104 -2.154 -1.296 8.507 1.00 0.00 C ATOM 1614 C PHE A 104 -2.293 -1.067 10.010 1.00 0.00 C ATOM 1615 O PHE A 104 -1.940 -1.930 10.820 1.00 0.00 O ATOM 1616 CB PHE A 104 -3.527 -1.475 7.858 1.00 0.00 C ATOM 1617 CG PHE A 104 -3.447 -1.690 6.368 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -3.123 -0.638 5.522 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -3.684 -2.939 5.814 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -3.041 -0.832 4.156 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -3.603 -3.135 4.450 1.00 0.00 C ATOM 1622 CZ PHE A 104 -3.281 -2.082 3.621 1.00 0.00 C ATOM 0 H PHE A 104 -1.831 -3.267 7.877 1.00 0.00 H new ATOM 0 HA PHE A 104 -1.674 -0.414 8.084 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.032 -2.325 8.316 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.137 -0.595 8.061 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.933 0.342 5.935 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -3.935 -3.769 6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -2.789 -0.006 3.507 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -3.792 -4.113 4.033 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.216 -2.235 2.554 1.00 0.00 H new ATOM 1632 N GLN A 105 -2.810 0.102 10.379 1.00 0.00 N ATOM 1633 CA GLN A 105 -2.918 0.489 11.784 1.00 0.00 C ATOM 1634 C GLN A 105 -4.374 0.571 12.237 1.00 0.00 C ATOM 1635 O GLN A 105 -4.681 0.307 13.404 1.00 0.00 O ATOM 1636 CB GLN A 105 -2.208 1.827 12.028 1.00 0.00 C ATOM 1637 CG GLN A 105 -2.621 2.936 11.066 1.00 0.00 C ATOM 1638 CD GLN A 105 -2.082 4.295 11.471 1.00 0.00 C ATOM 1639 OE1 GLN A 105 -1.033 4.394 12.109 1.00 0.00 O ATOM 1640 NE2 GLN A 105 -2.788 5.351 11.097 1.00 0.00 N ATOM 0 H GLN A 105 -3.162 0.800 9.723 1.00 0.00 H new ATOM 0 HA GLN A 105 -2.430 -0.285 12.376 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -2.410 2.152 13.049 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -1.132 1.675 11.949 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -2.266 2.693 10.064 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.709 2.982 11.016 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.652 5.226 10.569 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.468 6.289 11.336 1.00 0.00 H new ATOM 1649 N SER A 106 -5.272 0.936 11.328 1.00 0.00 N ATOM 1650 CA SER A 106 -6.691 1.048 11.656 1.00 0.00 C ATOM 1651 C SER A 106 -7.542 0.473 10.522 1.00 0.00 C ATOM 1652 O SER A 106 -7.133 0.510 9.364 1.00 0.00 O ATOM 1653 CB SER A 106 -7.056 2.520 11.893 1.00 0.00 C ATOM 1654 OG SER A 106 -6.099 3.153 12.731 1.00 0.00 O ATOM 0 H SER A 106 -5.044 1.159 10.359 1.00 0.00 H new ATOM 0 HA SER A 106 -6.890 0.480 12.565 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.111 3.043 10.938 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.044 2.585 12.349 1.00 0.00 H new ATOM 0 HG SER A 106 -6.352 4.090 12.866 1.00 0.00 H new ATOM 1660 N PRO A 107 -8.737 -0.075 10.836 1.00 0.00 N ATOM 1661 CA PRO A 107 -9.656 -0.590 9.815 1.00 0.00 C ATOM 1662 C PRO A 107 -9.945 0.452 8.730 1.00 0.00 C ATOM 1663 O PRO A 107 -10.205 0.105 7.577 1.00 0.00 O ATOM 1664 CB PRO A 107 -10.937 -0.942 10.601 1.00 0.00 C ATOM 1665 CG PRO A 107 -10.759 -0.332 11.956 1.00 0.00 C ATOM 1666 CD PRO A 107 -9.274 -0.258 12.192 1.00 0.00 C ATOM 0 HA PRO A 107 -9.238 -1.446 9.285 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -11.823 -0.544 10.105 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.069 -2.022 10.672 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.210 0.660 11.999 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.245 -0.936 12.722 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.010 0.572 12.847 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -8.893 -1.166 12.659 1.00 0.00 H new ATOM 1674 N ALA A 108 -9.881 1.729 9.107 1.00 0.00 N ATOM 1675 CA ALA A 108 -10.075 2.826 8.163 1.00 0.00 C ATOM 1676 C ALA A 108 -9.040 2.765 7.036 1.00 0.00 C ATOM 1677 O ALA A 108 -9.390 2.529 5.874 1.00 0.00 O ATOM 1678 CB ALA A 108 -10.000 4.167 8.886 1.00 0.00 C ATOM 0 H ALA A 108 -9.695 2.029 10.064 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.065 2.724 7.719 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.146 4.975 8.170 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -10.777 4.213 9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -9.023 4.272 9.357 1.00 0.00 H new ATOM 1684 N ASP A 109 -7.768 2.959 7.385 1.00 0.00 N ATOM 1685 CA ASP A 109 -6.682 2.940 6.399 1.00 0.00 C ATOM 1686 C ASP A 109 -6.535 1.555 5.776 1.00 0.00 C ATOM 1687 O ASP A 109 -6.172 1.433 4.605 1.00 0.00 O ATOM 1688 CB ASP A 109 -5.347 3.400 7.023 1.00 0.00 C ATOM 1689 CG ASP A 109 -5.032 2.722 8.350 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -4.385 1.652 8.357 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -5.437 3.267 9.398 1.00 0.00 O ATOM 0 H ASP A 109 -7.462 3.131 8.343 1.00 0.00 H new ATOM 0 HA ASP A 109 -6.943 3.645 5.610 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.538 3.199 6.320 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.378 4.479 7.174 1.00 0.00 H new ATOM 1696 N ALA A 110 -6.841 0.520 6.555 1.00 0.00 N ATOM 1697 CA ALA A 110 -6.799 -0.856 6.070 1.00 0.00 C ATOM 1698 C ALA A 110 -7.730 -1.046 4.875 1.00 0.00 C ATOM 1699 O ALA A 110 -7.286 -1.379 3.777 1.00 0.00 O ATOM 1700 CB ALA A 110 -7.165 -1.829 7.188 1.00 0.00 C ATOM 0 H ALA A 110 -7.122 0.610 7.531 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.781 -1.066 5.743 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -7.128 -2.850 6.808 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.457 -1.722 8.010 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.171 -1.611 7.545 1.00 0.00 H new ATOM 1706 N ARG A 111 -9.022 -0.810 5.097 1.00 0.00 N ATOM 1707 CA ARG A 111 -10.035 -1.000 4.061 1.00 0.00 C ATOM 1708 C ARG A 111 -9.845 0.009 2.925 1.00 0.00 C ATOM 1709 O ARG A 111 -10.117 -0.293 1.758 1.00 0.00 O ATOM 1710 CB ARG A 111 -11.443 -0.878 4.667 1.00 0.00 C ATOM 1711 CG ARG A 111 -11.712 -1.875 5.795 1.00 0.00 C ATOM 1712 CD ARG A 111 -13.110 -1.717 6.391 1.00 0.00 C ATOM 1713 NE ARG A 111 -13.360 -0.358 6.886 1.00 0.00 N ATOM 1714 CZ ARG A 111 -13.868 -0.072 8.091 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -14.099 -1.035 8.976 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -14.125 1.189 8.411 1.00 0.00 N ATOM 0 H ARG A 111 -9.393 -0.485 5.990 1.00 0.00 H new ATOM 0 HA ARG A 111 -9.922 -2.001 3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.579 0.134 5.048 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -12.182 -1.025 3.880 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -11.595 -2.890 5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -10.968 -1.741 6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -13.854 -1.967 5.635 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -13.235 -2.427 7.209 1.00 0.00 H new ATOM 0 HE ARG A 111 -13.131 0.422 6.270 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -13.889 -2.005 8.741 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -14.486 -0.805 9.891 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -13.936 1.934 7.741 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -14.512 1.414 9.327 1.00 0.00 H new ATOM 1730 N ALA A 112 -9.365 1.202 3.275 1.00 0.00 N ATOM 1731 CA ALA A 112 -9.132 2.261 2.295 1.00 0.00 C ATOM 1732 C ALA A 112 -8.063 1.849 1.287 1.00 0.00 C ATOM 1733 O ALA A 112 -8.304 1.838 0.078 1.00 0.00 O ATOM 1734 CB ALA A 112 -8.726 3.554 2.992 1.00 0.00 C ATOM 0 H ALA A 112 -9.129 1.459 4.233 1.00 0.00 H new ATOM 0 HA ALA A 112 -10.064 2.430 1.756 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -8.557 4.331 2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.521 3.867 3.669 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.810 3.389 3.559 1.00 0.00 H new ATOM 1740 N PHE A 113 -6.883 1.503 1.795 1.00 0.00 N ATOM 1741 CA PHE A 113 -5.759 1.147 0.939 1.00 0.00 C ATOM 1742 C PHE A 113 -6.005 -0.209 0.275 1.00 0.00 C ATOM 1743 O PHE A 113 -5.512 -0.463 -0.820 1.00 0.00 O ATOM 1744 CB PHE A 113 -4.451 1.130 1.741 1.00 0.00 C ATOM 1745 CG PHE A 113 -3.209 1.085 0.878 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -2.623 2.260 0.424 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -2.633 -0.125 0.518 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -1.492 2.226 -0.369 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -1.502 -0.162 -0.274 1.00 0.00 C ATOM 1750 CZ PHE A 113 -0.930 1.014 -0.718 1.00 0.00 C ATOM 0 H PHE A 113 -6.682 1.462 2.794 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.667 1.902 0.158 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.411 2.017 2.373 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -4.453 0.265 2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -3.057 3.211 0.694 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -3.074 -1.049 0.861 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.048 3.147 -0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.065 -1.111 -0.546 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.045 0.986 -1.337 1.00 0.00 H new ATOM 1760 N ASP A 114 -6.768 -1.071 0.949 1.00 0.00 N ATOM 1761 CA ASP A 114 -7.206 -2.347 0.369 1.00 0.00 C ATOM 1762 C ASP A 114 -7.916 -2.090 -0.951 1.00 0.00 C ATOM 1763 O ASP A 114 -7.465 -2.502 -2.023 1.00 0.00 O ATOM 1764 CB ASP A 114 -8.175 -3.059 1.325 1.00 0.00 C ATOM 1765 CG ASP A 114 -8.650 -4.414 0.812 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -9.575 -4.457 -0.030 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -8.118 -5.447 1.267 1.00 0.00 O ATOM 0 H ASP A 114 -7.098 -0.910 1.901 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.331 -2.976 0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -7.686 -3.196 2.290 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.041 -2.419 1.494 1.00 0.00 H new ATOM 1772 N ARG A 115 -9.030 -1.382 -0.842 1.00 0.00 N ATOM 1773 CA ARG A 115 -9.833 -0.990 -1.994 1.00 0.00 C ATOM 1774 C ARG A 115 -8.991 -0.200 -3.002 1.00 0.00 C ATOM 1775 O ARG A 115 -9.154 -0.347 -4.217 1.00 0.00 O ATOM 1776 CB ARG A 115 -11.025 -0.151 -1.517 1.00 0.00 C ATOM 1777 CG ARG A 115 -11.896 0.405 -2.638 1.00 0.00 C ATOM 1778 CD ARG A 115 -13.019 1.274 -2.087 1.00 0.00 C ATOM 1779 NE ARG A 115 -13.773 1.944 -3.147 1.00 0.00 N ATOM 1780 CZ ARG A 115 -14.346 3.141 -3.011 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -14.245 3.806 -1.865 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -15.013 3.675 -4.022 1.00 0.00 N ATOM 0 H ARG A 115 -9.405 -1.061 0.051 1.00 0.00 H new ATOM 0 HA ARG A 115 -10.198 -1.887 -2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -11.645 -0.763 -0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.652 0.680 -0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -11.282 0.991 -3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -12.319 -0.417 -3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -13.696 0.657 -1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -12.600 2.022 -1.414 1.00 0.00 H new ATOM 0 HE ARG A 115 -13.866 1.467 -4.044 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -13.728 3.402 -1.085 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -14.685 4.721 -1.766 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -15.089 3.171 -4.906 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -15.451 4.590 -3.917 1.00 0.00 H new ATOM 1796 N GLY A 116 -8.089 0.629 -2.481 1.00 0.00 N ATOM 1797 CA GLY A 116 -7.236 1.452 -3.323 1.00 0.00 C ATOM 1798 C GLY A 116 -6.298 0.634 -4.193 1.00 0.00 C ATOM 1799 O GLY A 116 -6.275 0.796 -5.419 1.00 0.00 O ATOM 0 H GLY A 116 -7.933 0.746 -1.480 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -7.859 2.079 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -6.649 2.121 -2.693 1.00 0.00 H new ATOM 1803 N VAL A 117 -5.530 -0.255 -3.566 1.00 0.00 N ATOM 1804 CA VAL A 117 -4.564 -1.072 -4.291 1.00 0.00 C ATOM 1805 C VAL A 117 -5.291 -2.056 -5.201 1.00 0.00 C ATOM 1806 O VAL A 117 -4.813 -2.372 -6.291 1.00 0.00 O ATOM 1807 CB VAL A 117 -3.602 -1.835 -3.339 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -4.341 -2.886 -2.509 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -2.458 -2.468 -4.132 1.00 0.00 C ATOM 0 H VAL A 117 -5.559 -0.426 -2.561 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.955 -0.397 -4.892 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.182 -1.111 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.634 -3.397 -1.856 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.106 -2.400 -1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -4.810 -3.611 -3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.793 -2.999 -3.451 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.865 -3.169 -4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.900 -1.688 -4.650 1.00 0.00 H new ATOM 1819 N ARG A 118 -6.457 -2.523 -4.751 1.00 0.00 N ATOM 1820 CA ARG A 118 -7.321 -3.354 -5.582 1.00 0.00 C ATOM 1821 C ARG A 118 -7.630 -2.625 -6.884 1.00 0.00 C ATOM 1822 O ARG A 118 -7.449 -3.169 -7.973 1.00 0.00 O ATOM 1823 CB ARG A 118 -8.631 -3.681 -4.848 1.00 0.00 C ATOM 1824 CG ARG A 118 -9.695 -4.303 -5.749 1.00 0.00 C ATOM 1825 CD ARG A 118 -11.030 -4.476 -5.037 1.00 0.00 C ATOM 1826 NE ARG A 118 -12.106 -4.768 -5.985 1.00 0.00 N ATOM 1827 CZ ARG A 118 -13.318 -5.200 -5.637 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -13.619 -5.417 -4.362 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -14.237 -5.418 -6.566 1.00 0.00 N ATOM 0 H ARG A 118 -6.822 -2.339 -3.817 1.00 0.00 H new ATOM 0 HA ARG A 118 -6.803 -4.289 -5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.417 -4.365 -4.027 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.029 -2.767 -4.407 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -9.834 -3.675 -6.629 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -9.346 -5.273 -6.102 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -10.954 -5.284 -4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -11.268 -3.569 -4.482 1.00 0.00 H new ATOM 0 HE ARG A 118 -11.916 -4.632 -6.978 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -12.920 -5.253 -3.638 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -14.550 -5.748 -4.107 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -14.017 -5.255 -7.549 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -15.164 -5.749 -6.299 1.00 0.00 H new ATOM 1843 N LYS A 119 -8.077 -1.378 -6.752 1.00 0.00 N ATOM 1844 CA LYS A 119 -8.391 -0.544 -7.904 1.00 0.00 C ATOM 1845 C LYS A 119 -7.173 -0.431 -8.816 1.00 0.00 C ATOM 1846 O LYS A 119 -7.285 -0.602 -10.029 1.00 0.00 O ATOM 1847 CB LYS A 119 -8.850 0.849 -7.446 1.00 0.00 C ATOM 1848 CG LYS A 119 -9.230 1.818 -8.575 1.00 0.00 C ATOM 1849 CD LYS A 119 -10.579 1.487 -9.235 1.00 0.00 C ATOM 1850 CE LYS A 119 -10.480 0.372 -10.276 1.00 0.00 C ATOM 1851 NZ LYS A 119 -9.546 0.724 -11.377 1.00 0.00 N ATOM 0 H LYS A 119 -8.230 -0.923 -5.852 1.00 0.00 H new ATOM 0 HA LYS A 119 -9.204 -1.008 -8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.709 0.732 -6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -8.053 1.300 -6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -9.268 2.832 -8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.449 1.803 -9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -11.292 1.194 -8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -10.974 2.385 -9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -10.144 -0.546 -9.794 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -11.469 0.172 -10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.621 0.016 -12.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.791 1.662 -11.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.572 0.741 -11.014 1.00 0.00 H new ATOM 1865 N ALA A 120 -6.011 -0.167 -8.217 1.00 0.00 N ATOM 1866 CA ALA A 120 -4.756 -0.057 -8.962 1.00 0.00 C ATOM 1867 C ALA A 120 -4.479 -1.334 -9.759 1.00 0.00 C ATOM 1868 O ALA A 120 -4.065 -1.278 -10.921 1.00 0.00 O ATOM 1869 CB ALA A 120 -3.598 0.243 -8.014 1.00 0.00 C ATOM 0 H ALA A 120 -5.913 -0.025 -7.212 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.851 0.768 -9.668 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.672 0.322 -8.584 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.786 1.183 -7.496 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.507 -0.562 -7.284 1.00 0.00 H new ATOM 1875 N ILE A 121 -4.720 -2.482 -9.129 1.00 0.00 N ATOM 1876 CA ILE A 121 -4.567 -3.774 -9.796 1.00 0.00 C ATOM 1877 C ILE A 121 -5.527 -3.866 -10.977 1.00 0.00 C ATOM 1878 O ILE A 121 -5.174 -4.370 -12.044 1.00 0.00 O ATOM 1879 CB ILE A 121 -4.828 -4.960 -8.826 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -3.785 -4.977 -7.697 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -4.829 -6.293 -9.578 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -2.359 -5.148 -8.181 1.00 0.00 C ATOM 0 H ILE A 121 -5.022 -2.544 -8.157 1.00 0.00 H new ATOM 0 HA ILE A 121 -3.537 -3.843 -10.145 1.00 0.00 H new ATOM 0 HB ILE A 121 -5.814 -4.821 -8.382 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -3.858 -4.046 -7.134 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.024 -5.786 -7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.014 -7.106 -8.876 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -5.612 -6.283 -10.336 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.862 -6.441 -10.058 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -1.682 -5.150 -7.326 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -2.268 -6.092 -8.718 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -2.100 -4.325 -8.847 1.00 0.00 H new ATOM 1894 N GLU A 122 -6.737 -3.353 -10.780 1.00 0.00 N ATOM 1895 CA GLU A 122 -7.751 -3.366 -11.823 1.00 0.00 C ATOM 1896 C GLU A 122 -7.334 -2.472 -12.992 1.00 0.00 C ATOM 1897 O GLU A 122 -7.555 -2.818 -14.156 1.00 0.00 O ATOM 1898 CB GLU A 122 -9.110 -2.940 -11.252 1.00 0.00 C ATOM 1899 CG GLU A 122 -9.597 -3.853 -10.130 1.00 0.00 C ATOM 1900 CD GLU A 122 -10.998 -3.522 -9.651 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -11.961 -3.858 -10.374 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -11.146 -2.936 -8.558 1.00 0.00 O ATOM 0 H GLU A 122 -7.038 -2.923 -9.905 1.00 0.00 H new ATOM 0 HA GLU A 122 -7.849 -4.383 -12.202 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -9.037 -1.919 -10.877 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -9.849 -2.932 -12.054 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -9.574 -4.886 -10.476 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -8.907 -3.783 -9.289 1.00 0.00 H new ATOM 1909 N ASP A 123 -6.705 -1.341 -12.677 1.00 0.00 N ATOM 1910 CA ASP A 123 -6.158 -0.451 -13.703 1.00 0.00 C ATOM 1911 C ASP A 123 -5.027 -1.149 -14.449 1.00 0.00 C ATOM 1912 O ASP A 123 -4.857 -0.977 -15.660 1.00 0.00 O ATOM 1913 CB ASP A 123 -5.626 0.856 -13.089 1.00 0.00 C ATOM 1914 CG ASP A 123 -6.724 1.785 -12.594 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -7.225 2.601 -13.393 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -7.080 1.718 -11.401 1.00 0.00 O ATOM 0 H ASP A 123 -6.561 -1.018 -11.720 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.966 -0.206 -14.393 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.963 0.614 -12.258 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.026 1.380 -13.833 1.00 0.00 H new ATOM 1921 N LEU A 124 -4.257 -1.937 -13.705 1.00 0.00 N ATOM 1922 CA LEU A 124 -3.088 -2.626 -14.241 1.00 0.00 C ATOM 1923 C LEU A 124 -3.486 -3.770 -15.178 1.00 0.00 C ATOM 1924 O LEU A 124 -3.059 -3.811 -16.337 1.00 0.00 O ATOM 1925 CB LEU A 124 -2.230 -3.165 -13.084 1.00 0.00 C ATOM 1926 CG LEU A 124 -0.939 -3.896 -13.494 1.00 0.00 C ATOM 1927 CD1 LEU A 124 -0.006 -2.962 -14.262 1.00 0.00 C ATOM 1928 CD2 LEU A 124 -0.236 -4.479 -12.268 1.00 0.00 C ATOM 0 H LEU A 124 -4.425 -2.116 -12.715 1.00 0.00 H new ATOM 0 HA LEU A 124 -2.510 -1.908 -14.824 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.963 -2.331 -12.435 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -2.839 -3.847 -12.491 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.210 -4.720 -14.155 1.00 0.00 H new ATOM 0 HD11 LEU A 124 0.899 -3.501 -14.541 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.508 -2.605 -15.162 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.257 -2.112 -13.632 1.00 0.00 H new ATOM 0 HD21 LEU A 124 0.674 -4.991 -12.580 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.019 -3.675 -11.578 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -0.899 -5.187 -11.771 1.00 0.00 H new ATOM 1940 N ILE A 125 -4.310 -4.692 -14.683 1.00 0.00 N ATOM 1941 CA ILE A 125 -4.622 -5.919 -15.420 1.00 0.00 C ATOM 1942 C ILE A 125 -6.073 -6.373 -15.179 1.00 0.00 C ATOM 1943 O ILE A 125 -6.466 -7.462 -15.598 1.00 0.00 O ATOM 1944 CB ILE A 125 -3.631 -7.048 -15.009 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -3.703 -8.244 -15.976 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -3.891 -7.501 -13.571 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -3.299 -7.906 -17.397 1.00 0.00 C ATOM 0 H ILE A 125 -4.773 -4.615 -13.778 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.514 -5.709 -16.484 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.623 -6.637 -15.066 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -3.057 -9.040 -15.604 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -4.720 -8.635 -15.981 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -3.187 -8.290 -13.305 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.762 -6.656 -12.894 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -4.910 -7.880 -13.487 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.375 -8.798 -18.019 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -3.960 -7.133 -17.789 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.271 -7.544 -17.407 1.00 0.00 H new ATOM 1959 N GLU A 126 -6.872 -5.513 -14.541 1.00 0.00 N ATOM 1960 CA GLU A 126 -8.249 -5.846 -14.152 1.00 0.00 C ATOM 1961 C GLU A 126 -8.263 -6.983 -13.119 1.00 0.00 C ATOM 1962 O GLU A 126 -8.415 -6.690 -11.914 1.00 0.00 O ATOM 1963 CB GLU A 126 -9.115 -6.213 -15.370 1.00 0.00 C ATOM 1964 CG GLU A 126 -10.587 -6.419 -15.023 1.00 0.00 C ATOM 1965 CD GLU A 126 -11.413 -6.929 -16.192 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -11.914 -6.100 -16.981 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -11.572 -8.163 -16.321 1.00 0.00 O ATOM 1968 OXT GLU A 126 -8.119 -8.164 -13.512 1.00 0.00 O ATOM 0 H GLU A 126 -6.586 -4.570 -14.280 1.00 0.00 H new ATOM 0 HA GLU A 126 -8.682 -4.955 -13.697 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -9.032 -5.424 -16.117 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -8.725 -7.124 -15.824 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -10.663 -7.126 -14.197 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.007 -5.475 -14.674 1.00 0.00 H new