USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 526 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 75 THR OG1 : rot 112:sc= 0.252 USER MOD Set 1.2: A 77 HIS : no HD1:sc= 0.375 K(o=0.63,f=-0.2) USER MOD Set 2.1: A 72 CYS SG : rot 180:sc= -0.0476 USER MOD Set 2.2: A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 137:sc= -1.82 (180deg=-5.39!) USER MOD Single : A 19 LYS NZ :NH3+ -126:sc= -3.78! (180deg=-7.78!) USER MOD Single : A 25 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0354) USER MOD Single : A 27 ASN : amide:sc= -0.141 K(o=-0.14,f=-1.1) USER MOD Single : A 29 MET CE :methyl 171:sc= 0 (180deg=-0.0433) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 23:sc= 0.204 USER MOD Single : A 42 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-0.51) USER MOD Single : A 45 LYS NZ :NH3+ 161:sc= 0.506 (180deg=-0.194!) USER MOD Single : A 47 HIS : no HE2:sc= -1.9! C(o=-1.9!,f=-6.5!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -115:sc= 1 USER MOD Single : A 63 SER OG : rot -131:sc= 0.78 USER MOD Single : A 67 HIS : no HD1:sc= -0.783 K(o=-0.78,f=-1.4) USER MOD Single : A 74 LYS NZ :NH3+ 146:sc= -0.239 (180deg=-1.33) USER MOD Single : A 80 GLN : amide:sc= -0.0157 K(o=-0.016,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 157 N PHE A 14 15.167 0.662 -1.213 1.00 0.00 N ATOM 158 CA PHE A 14 13.949 -0.139 -1.204 1.00 0.00 C ATOM 159 C PHE A 14 14.264 -1.605 -0.922 1.00 0.00 C ATOM 160 O PHE A 14 15.372 -2.073 -1.182 1.00 0.00 O ATOM 161 CB PHE A 14 13.219 -0.012 -2.543 1.00 0.00 C ATOM 162 CG PHE A 14 12.586 1.333 -2.755 1.00 0.00 C ATOM 163 CD1 PHE A 14 13.370 2.465 -2.914 1.00 0.00 C ATOM 164 CD2 PHE A 14 11.208 1.467 -2.795 1.00 0.00 C ATOM 165 CE1 PHE A 14 12.791 3.705 -3.110 1.00 0.00 C ATOM 166 CE2 PHE A 14 10.623 2.703 -2.991 1.00 0.00 C ATOM 167 CZ PHE A 14 11.415 3.824 -3.147 1.00 0.00 C ATOM 0 HA PHE A 14 13.304 0.236 -0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 14 13.924 -0.204 -3.352 1.00 0.00 H new ATOM 0 HB3 PHE A 14 12.448 -0.781 -2.602 1.00 0.00 H new ATOM 0 HD1 PHE A 14 14.446 2.377 -2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.583 0.595 -2.671 1.00 0.00 H new ATOM 0 HE1 PHE A 14 13.413 4.579 -3.234 1.00 0.00 H new ATOM 0 HE2 PHE A 14 9.547 2.793 -3.022 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.959 4.792 -3.298 1.00 0.00 H new ATOM 177 N GLN A 15 13.282 -2.323 -0.386 1.00 0.00 N ATOM 178 CA GLN A 15 13.455 -3.735 -0.067 1.00 0.00 C ATOM 179 C GLN A 15 12.366 -4.579 -0.721 1.00 0.00 C ATOM 180 O GLN A 15 11.437 -4.049 -1.330 1.00 0.00 O ATOM 181 CB GLN A 15 13.437 -3.943 1.448 1.00 0.00 C ATOM 182 CG GLN A 15 14.735 -3.545 2.133 1.00 0.00 C ATOM 183 CD GLN A 15 15.736 -4.682 2.191 1.00 0.00 C ATOM 184 OE1 GLN A 15 15.743 -5.563 1.332 1.00 0.00 O ATOM 185 NE2 GLN A 15 16.590 -4.667 3.208 1.00 0.00 N ATOM 0 H GLN A 15 12.359 -1.950 -0.164 1.00 0.00 H new ATOM 0 HA GLN A 15 14.421 -4.054 -0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.618 -3.365 1.876 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.231 -4.992 1.660 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.178 -2.702 1.602 1.00 0.00 H new ATOM 0 HG3 GLN A 15 14.518 -3.205 3.146 1.00 0.00 H new ATOM 0 HE21 GLN A 15 16.549 -3.917 3.898 1.00 0.00 H new ATOM 0 HE22 GLN A 15 17.287 -5.406 3.299 1.00 0.00 H new ATOM 194 N LYS A 16 12.486 -5.896 -0.591 1.00 0.00 N ATOM 195 CA LYS A 16 11.512 -6.814 -1.168 1.00 0.00 C ATOM 196 C LYS A 16 10.562 -7.343 -0.098 1.00 0.00 C ATOM 197 O LYS A 16 10.897 -7.367 1.086 1.00 0.00 O ATOM 198 CB LYS A 16 12.225 -7.982 -1.855 1.00 0.00 C ATOM 199 CG LYS A 16 12.724 -7.653 -3.251 1.00 0.00 C ATOM 200 CD LYS A 16 13.919 -8.511 -3.632 1.00 0.00 C ATOM 201 CE LYS A 16 15.187 -8.042 -2.937 1.00 0.00 C ATOM 202 NZ LYS A 16 16.356 -8.901 -3.276 1.00 0.00 N ATOM 0 H LYS A 16 13.249 -6.352 -0.091 1.00 0.00 H new ATOM 0 HA LYS A 16 10.929 -6.266 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.070 -8.293 -1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.543 -8.830 -1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.920 -7.806 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.000 -6.600 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 16 13.721 -9.550 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.062 -8.479 -4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.398 -7.012 -3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.033 -8.048 -1.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.201 -8.548 -2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.165 -9.880 -2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.519 -8.876 -4.303 1.00 0.00 H new ATOM 216 N LYS A 17 9.377 -7.768 -0.523 1.00 0.00 N ATOM 217 CA LYS A 17 8.379 -8.300 0.398 1.00 0.00 C ATOM 218 C LYS A 17 7.879 -7.213 1.345 1.00 0.00 C ATOM 219 O LYS A 17 7.417 -7.503 2.447 1.00 0.00 O ATOM 220 CB LYS A 17 8.966 -9.462 1.202 1.00 0.00 C ATOM 221 CG LYS A 17 9.754 -10.449 0.359 1.00 0.00 C ATOM 222 CD LYS A 17 10.108 -11.699 1.148 1.00 0.00 C ATOM 223 CE LYS A 17 11.434 -11.542 1.875 1.00 0.00 C ATOM 224 NZ LYS A 17 11.824 -12.787 2.594 1.00 0.00 N ATOM 0 H LYS A 17 9.084 -7.754 -1.500 1.00 0.00 H new ATOM 0 HA LYS A 17 7.535 -8.662 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.616 -9.062 1.980 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.156 -9.991 1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.171 -10.725 -0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.667 -9.974 -0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.319 -11.911 1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.161 -12.554 0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.212 -11.278 1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.363 -10.719 2.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.733 -12.639 3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.094 -13.026 3.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.917 -13.567 1.912 1.00 0.00 H new ATOM 238 N MET A 18 7.974 -5.963 0.905 1.00 0.00 N ATOM 239 CA MET A 18 7.528 -4.834 1.714 1.00 0.00 C ATOM 240 C MET A 18 6.319 -4.153 1.078 1.00 0.00 C ATOM 241 O MET A 18 5.930 -4.478 -0.044 1.00 0.00 O ATOM 242 CB MET A 18 8.663 -3.823 1.888 1.00 0.00 C ATOM 243 CG MET A 18 8.912 -2.970 0.654 1.00 0.00 C ATOM 244 SD MET A 18 10.172 -1.709 0.925 1.00 0.00 S ATOM 245 CE MET A 18 9.849 -0.607 -0.450 1.00 0.00 C ATOM 0 H MET A 18 8.355 -5.706 -0.006 1.00 0.00 H new ATOM 0 HA MET A 18 7.236 -5.214 2.693 1.00 0.00 H new ATOM 0 HB2 MET A 18 8.431 -3.171 2.730 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.579 -4.357 2.141 1.00 0.00 H new ATOM 0 HG2 MET A 18 9.218 -3.613 -0.172 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.980 -2.489 0.355 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.895 0.426 -0.107 1.00 0.00 H new ATOM 0 HE2 MET A 18 10.597 -0.765 -1.227 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.858 -0.811 -0.855 1.00 0.00 H new ATOM 255 N LYS A 19 5.729 -3.208 1.801 1.00 0.00 N ATOM 256 CA LYS A 19 4.566 -2.481 1.309 1.00 0.00 C ATOM 257 C LYS A 19 4.909 -1.017 1.049 1.00 0.00 C ATOM 258 O LYS A 19 5.722 -0.424 1.759 1.00 0.00 O ATOM 259 CB LYS A 19 3.416 -2.576 2.314 1.00 0.00 C ATOM 260 CG LYS A 19 2.742 -3.937 2.340 1.00 0.00 C ATOM 261 CD LYS A 19 2.087 -4.262 1.008 1.00 0.00 C ATOM 262 CE LYS A 19 0.871 -5.157 1.188 1.00 0.00 C ATOM 263 NZ LYS A 19 -0.268 -4.426 1.811 1.00 0.00 N ATOM 0 H LYS A 19 6.038 -2.927 2.732 1.00 0.00 H new ATOM 0 HA LYS A 19 4.256 -2.936 0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.795 -2.349 3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.672 -1.816 2.075 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.478 -4.704 2.581 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.991 -3.957 3.130 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.790 -3.338 0.513 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.809 -4.754 0.357 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.563 -5.551 0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.138 -6.012 1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.593 -4.943 2.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.041 -3.473 2.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.048 -4.352 1.127 1.00 0.00 H new ATOM 277 N LEU A 20 4.283 -0.439 0.030 1.00 0.00 N ATOM 278 CA LEU A 20 4.520 0.956 -0.322 1.00 0.00 C ATOM 279 C LEU A 20 3.423 1.480 -1.243 1.00 0.00 C ATOM 280 O LEU A 20 2.957 0.771 -2.134 1.00 0.00 O ATOM 281 CB LEU A 20 5.884 1.107 -0.998 1.00 0.00 C ATOM 282 CG LEU A 20 5.889 1.026 -2.525 1.00 0.00 C ATOM 283 CD1 LEU A 20 5.706 2.408 -3.133 1.00 0.00 C ATOM 284 CD2 LEU A 20 7.179 0.390 -3.021 1.00 0.00 C ATOM 0 H LEU A 20 3.607 -0.915 -0.567 1.00 0.00 H new ATOM 0 HA LEU A 20 4.509 1.543 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.309 2.067 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.547 0.333 -0.611 1.00 0.00 H new ATOM 0 HG LEU A 20 5.054 0.400 -2.839 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.712 2.331 -4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.755 2.827 -2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 20 6.520 3.058 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.165 0.340 -4.110 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.029 0.990 -2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.269 -0.617 -2.613 1.00 0.00 H new ATOM 296 N GLU A 21 3.017 2.726 -1.021 1.00 0.00 N ATOM 297 CA GLU A 21 1.975 3.345 -1.833 1.00 0.00 C ATOM 298 C GLU A 21 2.548 3.873 -3.144 1.00 0.00 C ATOM 299 O GLU A 21 3.375 4.785 -3.151 1.00 0.00 O ATOM 300 CB GLU A 21 1.306 4.484 -1.061 1.00 0.00 C ATOM 301 CG GLU A 21 0.556 4.023 0.178 1.00 0.00 C ATOM 302 CD GLU A 21 -0.220 5.143 0.842 1.00 0.00 C ATOM 303 OE1 GLU A 21 -0.526 6.141 0.156 1.00 0.00 O ATOM 304 OE2 GLU A 21 -0.522 5.022 2.047 1.00 0.00 O ATOM 0 H GLU A 21 3.393 3.326 -0.287 1.00 0.00 H new ATOM 0 HA GLU A 21 1.229 2.584 -2.063 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.066 5.208 -0.767 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.612 5.002 -1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.131 3.222 -0.095 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.265 3.604 0.892 1.00 0.00 H new ATOM 311 N VAL A 22 2.104 3.291 -4.254 1.00 0.00 N ATOM 312 CA VAL A 22 2.572 3.702 -5.573 1.00 0.00 C ATOM 313 C VAL A 22 1.484 4.453 -6.332 1.00 0.00 C ATOM 314 O VAL A 22 0.297 4.163 -6.186 1.00 0.00 O ATOM 315 CB VAL A 22 3.025 2.492 -6.410 1.00 0.00 C ATOM 316 CG1 VAL A 22 3.322 2.913 -7.841 1.00 0.00 C ATOM 317 CG2 VAL A 22 4.241 1.832 -5.777 1.00 0.00 C ATOM 0 H VAL A 22 1.421 2.534 -4.266 1.00 0.00 H new ATOM 0 HA VAL A 22 3.424 4.364 -5.415 1.00 0.00 H new ATOM 0 HB VAL A 22 2.214 1.764 -6.432 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.641 2.044 -8.417 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.423 3.336 -8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.115 3.661 -7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.548 0.979 -6.382 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.058 2.551 -5.723 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.989 1.493 -4.772 1.00 0.00 H new ATOM 327 N VAL A 23 1.897 5.420 -7.146 1.00 0.00 N ATOM 328 CA VAL A 23 0.958 6.212 -7.931 1.00 0.00 C ATOM 329 C VAL A 23 0.620 5.519 -9.246 1.00 0.00 C ATOM 330 O VAL A 23 1.495 5.288 -10.081 1.00 0.00 O ATOM 331 CB VAL A 23 1.521 7.613 -8.232 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.646 8.334 -9.247 1.00 0.00 C ATOM 333 CG2 VAL A 23 1.644 8.424 -6.951 1.00 0.00 C ATOM 0 H VAL A 23 2.876 5.673 -7.279 1.00 0.00 H new ATOM 0 HA VAL A 23 0.052 6.313 -7.334 1.00 0.00 H new ATOM 0 HB VAL A 23 2.517 7.501 -8.661 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.060 9.322 -9.447 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.614 7.760 -10.173 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.364 8.437 -8.849 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.044 9.411 -7.182 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.661 8.529 -6.491 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.315 7.914 -6.260 1.00 0.00 H new ATOM 343 N ASP A 24 -0.655 5.189 -9.424 1.00 0.00 N ATOM 344 CA ASP A 24 -1.110 4.523 -10.639 1.00 0.00 C ATOM 345 C ASP A 24 -0.633 5.272 -11.880 1.00 0.00 C ATOM 346 O ASP A 24 -0.734 6.496 -11.956 1.00 0.00 O ATOM 347 CB ASP A 24 -2.636 4.417 -10.646 1.00 0.00 C ATOM 348 CG ASP A 24 -3.137 3.349 -11.598 1.00 0.00 C ATOM 349 OD1 ASP A 24 -2.724 3.362 -12.777 1.00 0.00 O ATOM 350 OD2 ASP A 24 -3.941 2.498 -11.164 1.00 0.00 O ATOM 0 H ASP A 24 -1.391 5.372 -8.742 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.684 3.520 -10.656 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.987 4.195 -9.638 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.063 5.380 -10.927 1.00 0.00 H new ATOM 355 N LYS A 25 -0.113 4.527 -12.850 1.00 0.00 N ATOM 356 CA LYS A 25 0.380 5.119 -14.088 1.00 0.00 C ATOM 357 C LYS A 25 -0.773 5.655 -14.931 1.00 0.00 C ATOM 358 O LYS A 25 -0.661 6.713 -15.550 1.00 0.00 O ATOM 359 CB LYS A 25 1.175 4.086 -14.890 1.00 0.00 C ATOM 360 CG LYS A 25 1.974 3.128 -14.024 1.00 0.00 C ATOM 361 CD LYS A 25 2.821 3.872 -13.004 1.00 0.00 C ATOM 362 CE LYS A 25 3.993 4.581 -13.664 1.00 0.00 C ATOM 363 NZ LYS A 25 5.063 3.627 -14.068 1.00 0.00 N ATOM 0 H LYS A 25 -0.022 3.512 -12.802 1.00 0.00 H new ATOM 0 HA LYS A 25 1.035 5.951 -13.829 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.487 3.513 -15.512 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.855 4.607 -15.564 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.295 2.449 -13.508 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.618 2.516 -14.656 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.203 4.600 -12.478 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.193 3.171 -12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.641 5.125 -14.541 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.405 5.319 -12.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.892 4.157 -14.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.334 3.043 -13.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.711 3.014 -14.831 1.00 0.00 H new ATOM 377 N ARG A 26 -1.879 4.919 -14.949 1.00 0.00 N ATOM 378 CA ARG A 26 -3.052 5.321 -15.716 1.00 0.00 C ATOM 379 C ARG A 26 -3.671 6.590 -15.138 1.00 0.00 C ATOM 380 O ARG A 26 -4.132 7.459 -15.876 1.00 0.00 O ATOM 381 CB ARG A 26 -4.089 4.196 -15.729 1.00 0.00 C ATOM 382 CG ARG A 26 -3.482 2.809 -15.863 1.00 0.00 C ATOM 383 CD ARG A 26 -2.658 2.682 -17.136 1.00 0.00 C ATOM 384 NE ARG A 26 -1.501 3.573 -17.130 1.00 0.00 N ATOM 385 CZ ARG A 26 -0.855 3.946 -18.229 1.00 0.00 C ATOM 386 NH1 ARG A 26 -1.252 3.508 -19.416 1.00 0.00 N ATOM 387 NH2 ARG A 26 0.189 4.760 -18.143 1.00 0.00 N ATOM 0 H ARG A 26 -1.988 4.041 -14.441 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.734 5.525 -16.738 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.672 4.241 -14.809 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.782 4.361 -16.554 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -2.852 2.601 -14.998 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -4.276 2.062 -15.866 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.321 1.651 -17.249 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.285 2.908 -17.998 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.171 3.928 -16.233 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.055 2.883 -19.487 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.754 3.796 -20.258 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.497 5.100 -17.232 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.684 5.046 -18.988 1.00 0.00 H new ATOM 401 N ASN A 27 -3.676 6.689 -13.812 1.00 0.00 N ATOM 402 CA ASN A 27 -4.239 7.852 -13.135 1.00 0.00 C ATOM 403 C ASN A 27 -3.357 8.280 -11.966 1.00 0.00 C ATOM 404 O ASN A 27 -3.334 7.647 -10.910 1.00 0.00 O ATOM 405 CB ASN A 27 -5.652 7.543 -12.636 1.00 0.00 C ATOM 406 CG ASN A 27 -6.720 7.970 -13.625 1.00 0.00 C ATOM 407 OD1 ASN A 27 -6.599 9.007 -14.277 1.00 0.00 O ATOM 408 ND2 ASN A 27 -7.773 7.170 -13.740 1.00 0.00 N ATOM 0 H ASN A 27 -3.297 5.979 -13.186 1.00 0.00 H new ATOM 0 HA ASN A 27 -4.285 8.672 -13.852 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.742 6.473 -12.447 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.818 8.049 -11.685 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.524 7.405 -14.389 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.831 6.320 -13.179 1.00 0.00 H new ATOM 415 N PRO A 28 -2.614 9.380 -12.157 1.00 0.00 N ATOM 416 CA PRO A 28 -1.718 9.919 -11.129 1.00 0.00 C ATOM 417 C PRO A 28 -2.480 10.518 -9.952 1.00 0.00 C ATOM 418 O PRO A 28 -1.879 10.965 -8.975 1.00 0.00 O ATOM 419 CB PRO A 28 -0.939 11.007 -11.872 1.00 0.00 C ATOM 420 CG PRO A 28 -1.836 11.420 -12.987 1.00 0.00 C ATOM 421 CD PRO A 28 -2.592 10.184 -13.390 1.00 0.00 C ATOM 0 HA PRO A 28 -1.086 9.145 -10.693 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.709 11.847 -11.217 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.011 10.627 -12.248 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.518 12.208 -12.668 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.261 11.816 -13.824 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.599 10.423 -13.732 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.095 9.657 -14.205 1.00 0.00 H new ATOM 429 N MET A 29 -3.805 10.524 -10.052 1.00 0.00 N ATOM 430 CA MET A 29 -4.648 11.068 -8.993 1.00 0.00 C ATOM 431 C MET A 29 -5.159 9.957 -8.081 1.00 0.00 C ATOM 432 O MET A 29 -6.005 10.189 -7.217 1.00 0.00 O ATOM 433 CB MET A 29 -5.829 11.832 -9.595 1.00 0.00 C ATOM 434 CG MET A 29 -5.414 13.036 -10.425 1.00 0.00 C ATOM 435 SD MET A 29 -4.347 14.171 -9.517 1.00 0.00 S ATOM 436 CE MET A 29 -3.342 14.828 -10.847 1.00 0.00 C ATOM 0 H MET A 29 -4.318 10.159 -10.854 1.00 0.00 H new ATOM 0 HA MET A 29 -4.045 11.754 -8.398 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.410 11.153 -10.219 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.485 12.164 -8.790 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.895 12.694 -11.320 1.00 0.00 H new ATOM 0 HG3 MET A 29 -6.305 13.568 -10.757 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.743 15.658 -10.474 1.00 0.00 H new ATOM 0 HE2 MET A 29 -2.683 14.046 -11.226 1.00 0.00 H new ATOM 0 HE3 MET A 29 -3.988 15.179 -11.652 1.00 0.00 H new ATOM 446 N PHE A 30 -4.639 8.750 -8.278 1.00 0.00 N ATOM 447 CA PHE A 30 -5.044 7.603 -7.473 1.00 0.00 C ATOM 448 C PHE A 30 -3.825 6.848 -6.951 1.00 0.00 C ATOM 449 O PHE A 30 -2.886 6.571 -7.698 1.00 0.00 O ATOM 450 CB PHE A 30 -5.927 6.662 -8.295 1.00 0.00 C ATOM 451 CG PHE A 30 -7.338 7.151 -8.455 1.00 0.00 C ATOM 452 CD1 PHE A 30 -7.610 8.298 -9.182 1.00 0.00 C ATOM 453 CD2 PHE A 30 -8.393 6.462 -7.878 1.00 0.00 C ATOM 454 CE1 PHE A 30 -8.907 8.750 -9.330 1.00 0.00 C ATOM 455 CE2 PHE A 30 -9.693 6.910 -8.022 1.00 0.00 C ATOM 456 CZ PHE A 30 -9.950 8.055 -8.750 1.00 0.00 C ATOM 0 H PHE A 30 -3.937 8.541 -8.988 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.614 7.972 -6.620 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.483 6.529 -9.282 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.942 5.682 -7.818 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.799 8.845 -9.639 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.197 5.565 -7.309 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.105 9.646 -9.899 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.506 6.365 -7.566 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.965 8.406 -8.866 1.00 0.00 H new ATOM 466 N ILE A 31 -3.847 6.519 -5.663 1.00 0.00 N ATOM 467 CA ILE A 31 -2.745 5.797 -5.041 1.00 0.00 C ATOM 468 C ILE A 31 -3.250 4.579 -4.275 1.00 0.00 C ATOM 469 O ILE A 31 -4.291 4.632 -3.620 1.00 0.00 O ATOM 470 CB ILE A 31 -1.950 6.701 -4.080 1.00 0.00 C ATOM 471 CG1 ILE A 31 -1.355 7.889 -4.839 1.00 0.00 C ATOM 472 CG2 ILE A 31 -0.854 5.904 -3.389 1.00 0.00 C ATOM 473 CD1 ILE A 31 -1.156 9.116 -3.978 1.00 0.00 C ATOM 0 H ILE A 31 -4.616 6.741 -5.031 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.087 5.470 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.629 7.084 -3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.396 7.594 -5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.010 8.142 -5.673 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.301 6.556 -2.713 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.301 5.088 -2.821 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.174 5.496 -4.137 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.731 9.919 -4.581 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.116 9.436 -3.573 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.477 8.879 -3.159 1.00 0.00 H new ATOM 485 N ARG A 32 -2.503 3.482 -4.359 1.00 0.00 N ATOM 486 CA ARG A 32 -2.875 2.250 -3.673 1.00 0.00 C ATOM 487 C ARG A 32 -1.643 1.553 -3.104 1.00 0.00 C ATOM 488 O ARG A 32 -0.510 1.952 -3.374 1.00 0.00 O ATOM 489 CB ARG A 32 -3.610 1.310 -4.630 1.00 0.00 C ATOM 490 CG ARG A 32 -4.700 1.995 -5.439 1.00 0.00 C ATOM 491 CD ARG A 32 -5.061 1.191 -6.679 1.00 0.00 C ATOM 492 NE ARG A 32 -6.098 0.201 -6.406 1.00 0.00 N ATOM 493 CZ ARG A 32 -7.386 0.501 -6.281 1.00 0.00 C ATOM 494 NH1 ARG A 32 -7.793 1.756 -6.404 1.00 0.00 N ATOM 495 NH2 ARG A 32 -8.271 -0.457 -6.032 1.00 0.00 N ATOM 0 H ARG A 32 -1.637 3.422 -4.895 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.539 2.509 -2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.888 0.864 -5.314 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.052 0.495 -4.057 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.587 2.127 -4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.366 2.990 -5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.403 1.867 -7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.171 0.689 -7.057 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.818 -0.775 -6.306 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.117 2.495 -6.595 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.783 1.983 -6.307 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.962 -1.424 -5.936 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.260 -0.226 -5.936 1.00 0.00 H new ATOM 509 N VAL A 33 -1.872 0.508 -2.315 1.00 0.00 N ATOM 510 CA VAL A 33 -0.782 -0.246 -1.708 1.00 0.00 C ATOM 511 C VAL A 33 -0.050 -1.087 -2.747 1.00 0.00 C ATOM 512 O VAL A 33 -0.656 -1.588 -3.694 1.00 0.00 O ATOM 513 CB VAL A 33 -1.294 -1.168 -0.585 1.00 0.00 C ATOM 514 CG1 VAL A 33 -0.185 -2.092 -0.106 1.00 0.00 C ATOM 515 CG2 VAL A 33 -1.849 -0.346 0.568 1.00 0.00 C ATOM 0 H VAL A 33 -2.803 0.164 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.092 0.483 -1.283 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.101 -1.783 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.565 -2.736 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.161 -2.706 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.645 -1.497 0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.206 -1.014 1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.064 0.296 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.675 0.269 0.212 1.00 0.00 H new ATOM 525 N ALA A 34 1.258 -1.238 -2.564 1.00 0.00 N ATOM 526 CA ALA A 34 2.073 -2.021 -3.485 1.00 0.00 C ATOM 527 C ALA A 34 2.957 -3.008 -2.731 1.00 0.00 C ATOM 528 O ALA A 34 3.081 -2.939 -1.508 1.00 0.00 O ATOM 529 CB ALA A 34 2.922 -1.102 -4.350 1.00 0.00 C ATOM 0 H ALA A 34 1.776 -0.828 -1.786 1.00 0.00 H new ATOM 0 HA ALA A 34 1.404 -2.592 -4.129 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.525 -1.700 -5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.273 -0.440 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.577 -0.506 -3.714 1.00 0.00 H new ATOM 535 N THR A 35 3.571 -3.928 -3.469 1.00 0.00 N ATOM 536 CA THR A 35 4.443 -4.931 -2.870 1.00 0.00 C ATOM 537 C THR A 35 5.680 -5.167 -3.729 1.00 0.00 C ATOM 538 O THR A 35 5.601 -5.780 -4.794 1.00 0.00 O ATOM 539 CB THR A 35 3.707 -6.269 -2.672 1.00 0.00 C ATOM 540 OG1 THR A 35 2.558 -6.077 -1.838 1.00 0.00 O ATOM 541 CG2 THR A 35 4.627 -7.306 -2.045 1.00 0.00 C ATOM 0 H THR A 35 3.480 -3.999 -4.482 1.00 0.00 H new ATOM 0 HA THR A 35 4.747 -4.545 -1.897 1.00 0.00 H new ATOM 0 HB THR A 35 3.390 -6.632 -3.650 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.094 -6.932 -1.718 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.085 -8.242 -1.915 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.486 -7.471 -2.696 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.971 -6.948 -1.074 1.00 0.00 H new ATOM 549 N VAL A 36 6.824 -4.678 -3.259 1.00 0.00 N ATOM 550 CA VAL A 36 8.079 -4.838 -3.984 1.00 0.00 C ATOM 551 C VAL A 36 8.446 -6.311 -4.128 1.00 0.00 C ATOM 552 O VAL A 36 8.924 -6.937 -3.182 1.00 0.00 O ATOM 553 CB VAL A 36 9.232 -4.099 -3.279 1.00 0.00 C ATOM 554 CG1 VAL A 36 10.466 -4.063 -4.168 1.00 0.00 C ATOM 555 CG2 VAL A 36 8.803 -2.691 -2.891 1.00 0.00 C ATOM 0 H VAL A 36 6.907 -4.168 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 36 7.931 -4.405 -4.973 1.00 0.00 H new ATOM 0 HB VAL A 36 9.486 -4.641 -2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.270 -3.537 -3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.783 -5.082 -4.391 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.230 -3.545 -5.097 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.629 -2.183 -2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 36 8.522 -2.137 -3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.950 -2.744 -2.214 1.00 0.00 H new ATOM 565 N ALA A 37 8.221 -6.857 -5.318 1.00 0.00 N ATOM 566 CA ALA A 37 8.531 -8.256 -5.587 1.00 0.00 C ATOM 567 C ALA A 37 10.022 -8.449 -5.842 1.00 0.00 C ATOM 568 O ALA A 37 10.647 -9.348 -5.279 1.00 0.00 O ATOM 569 CB ALA A 37 7.722 -8.757 -6.774 1.00 0.00 C ATOM 0 H ALA A 37 7.825 -6.352 -6.111 1.00 0.00 H new ATOM 0 HA ALA A 37 8.261 -8.838 -4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 37 7.964 -9.803 -6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.658 -8.664 -6.555 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.964 -8.163 -7.656 1.00 0.00 H new ATOM 575 N ASP A 38 10.586 -7.599 -6.693 1.00 0.00 N ATOM 576 CA ASP A 38 12.005 -7.676 -7.023 1.00 0.00 C ATOM 577 C ASP A 38 12.613 -6.281 -7.135 1.00 0.00 C ATOM 578 O ASP A 38 11.956 -5.339 -7.580 1.00 0.00 O ATOM 579 CB ASP A 38 12.206 -8.440 -8.332 1.00 0.00 C ATOM 580 CG ASP A 38 13.546 -9.146 -8.391 1.00 0.00 C ATOM 581 OD1 ASP A 38 14.543 -8.496 -8.772 1.00 0.00 O ATOM 582 OD2 ASP A 38 13.599 -10.347 -8.056 1.00 0.00 O ATOM 0 H ASP A 38 10.083 -6.849 -7.167 1.00 0.00 H new ATOM 0 HA ASP A 38 12.511 -8.210 -6.219 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.407 -9.173 -8.448 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.127 -7.747 -9.170 1.00 0.00 H new ATOM 587 N THR A 39 13.872 -6.156 -6.727 1.00 0.00 N ATOM 588 CA THR A 39 14.568 -4.876 -6.779 1.00 0.00 C ATOM 589 C THR A 39 15.749 -4.932 -7.741 1.00 0.00 C ATOM 590 O THR A 39 16.659 -5.745 -7.577 1.00 0.00 O ATOM 591 CB THR A 39 15.075 -4.456 -5.386 1.00 0.00 C ATOM 592 OG1 THR A 39 16.014 -5.418 -4.895 1.00 0.00 O ATOM 593 CG2 THR A 39 13.919 -4.322 -4.407 1.00 0.00 C ATOM 0 H THR A 39 14.430 -6.925 -6.357 1.00 0.00 H new ATOM 0 HA THR A 39 13.848 -4.138 -7.134 1.00 0.00 H new ATOM 0 HB THR A 39 15.565 -3.487 -5.480 1.00 0.00 H new ATOM 0 HG1 THR A 39 16.400 -5.912 -5.648 1.00 0.00 H new ATOM 0 HG21 THR A 39 14.302 -4.025 -3.431 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.222 -3.567 -4.769 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.404 -5.279 -4.319 1.00 0.00 H new ATOM 601 N ASP A 40 15.728 -4.062 -8.746 1.00 0.00 N ATOM 602 CA ASP A 40 16.799 -4.011 -9.735 1.00 0.00 C ATOM 603 C ASP A 40 17.866 -3.000 -9.328 1.00 0.00 C ATOM 604 O ASP A 40 17.804 -2.418 -8.245 1.00 0.00 O ATOM 605 CB ASP A 40 16.235 -3.652 -11.110 1.00 0.00 C ATOM 606 CG ASP A 40 15.825 -4.875 -11.906 1.00 0.00 C ATOM 607 OD1 ASP A 40 15.538 -5.919 -11.283 1.00 0.00 O ATOM 608 OD2 ASP A 40 15.791 -4.789 -13.151 1.00 0.00 O ATOM 0 H ASP A 40 14.982 -3.383 -8.897 1.00 0.00 H new ATOM 0 HA ASP A 40 17.260 -4.997 -9.787 1.00 0.00 H new ATOM 0 HB2 ASP A 40 15.372 -2.997 -10.986 1.00 0.00 H new ATOM 0 HB3 ASP A 40 16.983 -3.091 -11.671 1.00 0.00 H new ATOM 613 N ASP A 41 18.844 -2.796 -10.203 1.00 0.00 N ATOM 614 CA ASP A 41 19.926 -1.855 -9.936 1.00 0.00 C ATOM 615 C ASP A 41 19.379 -0.540 -9.388 1.00 0.00 C ATOM 616 O ASP A 41 19.670 -0.159 -8.253 1.00 0.00 O ATOM 617 CB ASP A 41 20.731 -1.595 -11.210 1.00 0.00 C ATOM 618 CG ASP A 41 21.527 -2.808 -11.650 1.00 0.00 C ATOM 619 OD1 ASP A 41 20.949 -3.684 -12.327 1.00 0.00 O ATOM 620 OD2 ASP A 41 22.728 -2.881 -11.317 1.00 0.00 O ATOM 0 H ASP A 41 18.910 -3.270 -11.104 1.00 0.00 H new ATOM 0 HA ASP A 41 20.582 -2.297 -9.185 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.053 -1.299 -12.011 1.00 0.00 H new ATOM 0 HB3 ASP A 41 21.411 -0.759 -11.043 1.00 0.00 H new ATOM 625 N HIS A 42 18.586 0.150 -10.201 1.00 0.00 N ATOM 626 CA HIS A 42 17.999 1.423 -9.798 1.00 0.00 C ATOM 627 C HIS A 42 16.485 1.409 -9.994 1.00 0.00 C ATOM 628 O HIS A 42 15.879 2.439 -10.289 1.00 0.00 O ATOM 629 CB HIS A 42 18.617 2.570 -10.597 1.00 0.00 C ATOM 630 CG HIS A 42 20.083 2.400 -10.852 1.00 0.00 C ATOM 631 ND1 HIS A 42 21.053 3.105 -10.171 1.00 0.00 N ATOM 632 CD2 HIS A 42 20.744 1.597 -11.719 1.00 0.00 C ATOM 633 CE1 HIS A 42 22.246 2.745 -10.609 1.00 0.00 C ATOM 634 NE2 HIS A 42 22.086 1.830 -11.549 1.00 0.00 N ATOM 0 H HIS A 42 18.335 -0.151 -11.143 1.00 0.00 H new ATOM 0 HA HIS A 42 18.210 1.573 -8.739 1.00 0.00 H new ATOM 0 HB2 HIS A 42 18.098 2.658 -11.552 1.00 0.00 H new ATOM 0 HB3 HIS A 42 18.456 3.505 -10.060 1.00 0.00 H new ATOM 0 HD2 HIS A 42 20.298 0.902 -12.415 1.00 0.00 H new ATOM 0 HE1 HIS A 42 23.191 3.132 -10.259 1.00 0.00 H new ATOM 0 HE2 HIS A 42 22.837 1.372 -12.064 1.00 0.00 H new ATOM 643 N ARG A 43 15.883 0.237 -9.828 1.00 0.00 N ATOM 644 CA ARG A 43 14.441 0.089 -9.988 1.00 0.00 C ATOM 645 C ARG A 43 13.892 -0.964 -9.029 1.00 0.00 C ATOM 646 O ARG A 43 14.651 -1.710 -8.410 1.00 0.00 O ATOM 647 CB ARG A 43 14.104 -0.294 -11.430 1.00 0.00 C ATOM 648 CG ARG A 43 14.783 0.584 -12.469 1.00 0.00 C ATOM 649 CD ARG A 43 13.975 0.652 -13.755 1.00 0.00 C ATOM 650 NE ARG A 43 14.792 1.064 -14.893 1.00 0.00 N ATOM 651 CZ ARG A 43 15.688 0.276 -15.478 1.00 0.00 C ATOM 652 NH1 ARG A 43 15.880 -0.958 -15.035 1.00 0.00 N ATOM 653 NH2 ARG A 43 16.393 0.723 -16.510 1.00 0.00 N ATOM 0 H ARG A 43 16.371 -0.625 -9.583 1.00 0.00 H new ATOM 0 HA ARG A 43 13.975 1.046 -9.754 1.00 0.00 H new ATOM 0 HB2 ARG A 43 14.393 -1.331 -11.598 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.024 -0.238 -11.569 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.915 1.589 -12.068 1.00 0.00 H new ATOM 0 HG3 ARG A 43 15.778 0.193 -12.683 1.00 0.00 H new ATOM 0 HD2 ARG A 43 13.535 -0.324 -13.959 1.00 0.00 H new ATOM 0 HD3 ARG A 43 13.150 1.353 -13.628 1.00 0.00 H new ATOM 0 HE ARG A 43 14.668 2.008 -15.259 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.339 -1.305 -14.243 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.568 -1.560 -15.486 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.247 1.672 -16.855 1.00 0.00 H new ATOM 0 HH22 ARG A 43 17.081 0.118 -16.958 1.00 0.00 H new ATOM 667 N VAL A 44 12.569 -1.017 -8.912 1.00 0.00 N ATOM 668 CA VAL A 44 11.919 -1.978 -8.029 1.00 0.00 C ATOM 669 C VAL A 44 10.532 -2.346 -8.544 1.00 0.00 C ATOM 670 O VAL A 44 9.652 -1.492 -8.658 1.00 0.00 O ATOM 671 CB VAL A 44 11.793 -1.428 -6.596 1.00 0.00 C ATOM 672 CG1 VAL A 44 13.134 -1.487 -5.881 1.00 0.00 C ATOM 673 CG2 VAL A 44 11.253 -0.006 -6.617 1.00 0.00 C ATOM 0 H VAL A 44 11.927 -0.406 -9.417 1.00 0.00 H new ATOM 0 HA VAL A 44 12.547 -2.869 -8.014 1.00 0.00 H new ATOM 0 HB VAL A 44 11.088 -2.052 -6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 44 13.025 -1.094 -4.870 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.476 -2.521 -5.834 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.864 -0.888 -6.426 1.00 0.00 H new ATOM 0 HG21 VAL A 44 11.170 0.367 -5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 44 11.931 0.633 -7.183 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.270 0.003 -7.087 1.00 0.00 H new ATOM 683 N LYS A 45 10.342 -3.624 -8.855 1.00 0.00 N ATOM 684 CA LYS A 45 9.061 -4.107 -9.357 1.00 0.00 C ATOM 685 C LYS A 45 7.977 -3.981 -8.292 1.00 0.00 C ATOM 686 O LYS A 45 7.979 -4.710 -7.300 1.00 0.00 O ATOM 687 CB LYS A 45 9.184 -5.566 -9.806 1.00 0.00 C ATOM 688 CG LYS A 45 8.047 -6.023 -10.703 1.00 0.00 C ATOM 689 CD LYS A 45 8.427 -7.263 -11.496 1.00 0.00 C ATOM 690 CE LYS A 45 7.704 -7.312 -12.833 1.00 0.00 C ATOM 691 NZ LYS A 45 7.904 -6.063 -13.618 1.00 0.00 N ATOM 0 H LYS A 45 11.059 -4.344 -8.768 1.00 0.00 H new ATOM 0 HA LYS A 45 8.778 -3.493 -10.212 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.128 -5.696 -10.335 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.221 -6.207 -8.925 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.166 -6.233 -10.097 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.778 -5.220 -11.389 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.504 -7.274 -11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.185 -8.155 -10.917 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.064 -8.164 -13.409 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.639 -7.468 -12.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.685 -6.243 -14.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.274 -5.320 -13.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.893 -5.752 -13.530 1.00 0.00 H new ATOM 705 N VAL A 46 7.050 -3.053 -8.505 1.00 0.00 N ATOM 706 CA VAL A 46 5.957 -2.833 -7.564 1.00 0.00 C ATOM 707 C VAL A 46 4.682 -3.527 -8.031 1.00 0.00 C ATOM 708 O VAL A 46 4.110 -3.169 -9.061 1.00 0.00 O ATOM 709 CB VAL A 46 5.672 -1.331 -7.376 1.00 0.00 C ATOM 710 CG1 VAL A 46 6.811 -0.662 -6.620 1.00 0.00 C ATOM 711 CG2 VAL A 46 5.447 -0.659 -8.721 1.00 0.00 C ATOM 0 H VAL A 46 7.034 -2.441 -9.321 1.00 0.00 H new ATOM 0 HA VAL A 46 6.270 -3.258 -6.610 1.00 0.00 H new ATOM 0 HB VAL A 46 4.762 -1.223 -6.785 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.592 0.399 -6.497 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.920 -1.127 -5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.738 -0.778 -7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.247 0.402 -8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.337 -0.775 -9.339 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.595 -1.121 -9.220 1.00 0.00 H new ATOM 721 N HIS A 47 4.242 -4.521 -7.267 1.00 0.00 N ATOM 722 CA HIS A 47 3.033 -5.265 -7.601 1.00 0.00 C ATOM 723 C HIS A 47 1.853 -4.792 -6.757 1.00 0.00 C ATOM 724 O HIS A 47 1.995 -4.541 -5.560 1.00 0.00 O ATOM 725 CB HIS A 47 3.256 -6.763 -7.393 1.00 0.00 C ATOM 726 CG HIS A 47 1.987 -7.556 -7.340 1.00 0.00 C ATOM 727 ND1 HIS A 47 1.547 -8.342 -8.385 1.00 0.00 N ATOM 728 CD2 HIS A 47 1.063 -7.684 -6.360 1.00 0.00 C ATOM 729 CE1 HIS A 47 0.405 -8.917 -8.049 1.00 0.00 C ATOM 730 NE2 HIS A 47 0.090 -8.534 -6.825 1.00 0.00 N ATOM 0 H HIS A 47 4.705 -4.830 -6.412 1.00 0.00 H new ATOM 0 HA HIS A 47 2.803 -5.082 -8.651 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.880 -7.145 -8.201 1.00 0.00 H new ATOM 0 HB3 HIS A 47 3.808 -6.914 -6.466 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.027 -8.461 -9.277 1.00 0.00 H new ATOM 0 HD2 HIS A 47 1.086 -7.206 -5.392 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -0.172 -9.586 -8.670 1.00 0.00 H new ATOM 739 N PHE A 48 0.690 -4.672 -7.388 1.00 0.00 N ATOM 740 CA PHE A 48 -0.514 -4.228 -6.696 1.00 0.00 C ATOM 741 C PHE A 48 -1.331 -5.421 -6.208 1.00 0.00 C ATOM 742 O PHE A 48 -2.030 -6.069 -6.987 1.00 0.00 O ATOM 743 CB PHE A 48 -1.366 -3.355 -7.618 1.00 0.00 C ATOM 744 CG PHE A 48 -0.854 -1.949 -7.754 1.00 0.00 C ATOM 745 CD1 PHE A 48 0.497 -1.704 -7.938 1.00 0.00 C ATOM 746 CD2 PHE A 48 -1.724 -0.872 -7.697 1.00 0.00 C ATOM 747 CE1 PHE A 48 0.972 -0.412 -8.064 1.00 0.00 C ATOM 748 CE2 PHE A 48 -1.256 0.422 -7.823 1.00 0.00 C ATOM 749 CZ PHE A 48 0.094 0.652 -8.005 1.00 0.00 C ATOM 0 H PHE A 48 0.556 -4.876 -8.378 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.209 -3.639 -5.831 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.407 -3.815 -8.605 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.387 -3.326 -7.237 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.188 -2.533 -7.984 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.780 -1.046 -7.552 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.028 -0.235 -8.208 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.945 1.253 -7.779 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.462 1.663 -8.101 1.00 0.00 H new ATOM 759 N ASP A 49 -1.239 -5.704 -4.913 1.00 0.00 N ATOM 760 CA ASP A 49 -1.969 -6.817 -4.319 1.00 0.00 C ATOM 761 C ASP A 49 -3.415 -6.840 -4.807 1.00 0.00 C ATOM 762 O ASP A 49 -4.145 -5.860 -4.662 1.00 0.00 O ATOM 763 CB ASP A 49 -1.934 -6.723 -2.793 1.00 0.00 C ATOM 764 CG ASP A 49 -2.160 -8.065 -2.125 1.00 0.00 C ATOM 765 OD1 ASP A 49 -1.207 -8.871 -2.074 1.00 0.00 O ATOM 766 OD2 ASP A 49 -3.289 -8.308 -1.652 1.00 0.00 O ATOM 0 H ASP A 49 -0.665 -5.177 -4.254 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.485 -7.743 -4.628 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.971 -6.322 -2.479 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.697 -6.020 -2.458 1.00 0.00 H new ATOM 771 N GLY A 50 -3.821 -7.966 -5.386 1.00 0.00 N ATOM 772 CA GLY A 50 -5.177 -8.095 -5.887 1.00 0.00 C ATOM 773 C GLY A 50 -5.252 -7.969 -7.396 1.00 0.00 C ATOM 774 O GLY A 50 -5.919 -8.764 -8.059 1.00 0.00 O ATOM 0 H GLY A 50 -3.235 -8.791 -5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.582 -9.061 -5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.804 -7.330 -5.430 1.00 0.00 H new ATOM 778 N TRP A 51 -4.568 -6.969 -7.939 1.00 0.00 N ATOM 779 CA TRP A 51 -4.562 -6.741 -9.380 1.00 0.00 C ATOM 780 C TRP A 51 -3.727 -7.798 -10.094 1.00 0.00 C ATOM 781 O TRP A 51 -2.717 -8.264 -9.569 1.00 0.00 O ATOM 782 CB TRP A 51 -4.018 -5.346 -9.694 1.00 0.00 C ATOM 783 CG TRP A 51 -4.827 -4.242 -9.084 1.00 0.00 C ATOM 784 CD1 TRP A 51 -4.992 -3.986 -7.753 1.00 0.00 C ATOM 785 CD2 TRP A 51 -5.583 -3.247 -9.783 1.00 0.00 C ATOM 786 NE1 TRP A 51 -5.805 -2.891 -7.582 1.00 0.00 N ATOM 787 CE2 TRP A 51 -6.180 -2.419 -8.812 1.00 0.00 C ATOM 788 CE3 TRP A 51 -5.812 -2.973 -11.134 1.00 0.00 C ATOM 789 CZ2 TRP A 51 -6.990 -1.339 -9.152 1.00 0.00 C ATOM 790 CZ3 TRP A 51 -6.617 -1.901 -11.470 1.00 0.00 C ATOM 791 CH2 TRP A 51 -7.197 -1.094 -10.482 1.00 0.00 C ATOM 0 H TRP A 51 -4.010 -6.303 -7.404 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.589 -6.812 -9.739 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -2.991 -5.275 -9.335 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -3.988 -5.210 -10.775 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -4.549 -4.560 -6.952 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.084 -2.494 -6.685 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.368 -3.588 -11.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -7.439 -0.716 -8.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -6.802 -1.682 -12.511 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.820 -0.262 -10.776 1.00 0.00 H new ATOM 841 N TYR A 55 -0.359 -6.450 -14.555 1.00 0.00 N ATOM 842 CA TYR A 55 -0.319 -5.017 -14.291 1.00 0.00 C ATOM 843 C TYR A 55 1.061 -4.591 -13.799 1.00 0.00 C ATOM 844 O TYR A 55 1.580 -3.549 -14.199 1.00 0.00 O ATOM 845 CB TYR A 55 -1.381 -4.638 -13.256 1.00 0.00 C ATOM 846 CG TYR A 55 -2.764 -4.468 -13.843 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.165 -3.254 -14.386 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.671 -5.521 -13.852 1.00 0.00 C ATOM 849 CE1 TYR A 55 -4.428 -3.093 -14.922 1.00 0.00 C ATOM 850 CE2 TYR A 55 -4.935 -5.370 -14.387 1.00 0.00 C ATOM 851 CZ TYR A 55 -5.309 -4.154 -14.921 1.00 0.00 C ATOM 852 OH TYR A 55 -6.568 -3.999 -15.454 1.00 0.00 O ATOM 0 HA TYR A 55 -0.528 -4.496 -15.225 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.415 -5.407 -12.484 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.086 -3.709 -12.768 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.477 -2.421 -14.389 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.382 -6.474 -13.433 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.724 -2.142 -15.339 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -5.627 -6.199 -14.387 1.00 0.00 H new ATOM 0 HH TYR A 55 -7.062 -4.842 -15.376 1.00 0.00 H new ATOM 862 N ASP A 56 1.649 -5.406 -12.930 1.00 0.00 N ATOM 863 CA ASP A 56 2.970 -5.116 -12.384 1.00 0.00 C ATOM 864 C ASP A 56 3.846 -4.421 -13.421 1.00 0.00 C ATOM 865 O ASP A 56 3.761 -4.710 -14.615 1.00 0.00 O ATOM 866 CB ASP A 56 3.643 -6.405 -11.911 1.00 0.00 C ATOM 867 CG ASP A 56 2.773 -7.195 -10.953 1.00 0.00 C ATOM 868 OD1 ASP A 56 1.758 -6.643 -10.479 1.00 0.00 O ATOM 869 OD2 ASP A 56 3.107 -8.367 -10.678 1.00 0.00 O ATOM 0 H ASP A 56 1.232 -6.272 -12.589 1.00 0.00 H new ATOM 0 HA ASP A 56 2.846 -4.446 -11.533 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.882 -7.025 -12.775 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.587 -6.161 -11.423 1.00 0.00 H new ATOM 874 N TYR A 57 4.687 -3.503 -12.957 1.00 0.00 N ATOM 875 CA TYR A 57 5.576 -2.763 -13.845 1.00 0.00 C ATOM 876 C TYR A 57 6.855 -2.357 -13.120 1.00 0.00 C ATOM 877 O TYR A 57 6.878 -2.245 -11.894 1.00 0.00 O ATOM 878 CB TYR A 57 4.870 -1.521 -14.390 1.00 0.00 C ATOM 879 CG TYR A 57 4.149 -0.720 -13.330 1.00 0.00 C ATOM 880 CD1 TYR A 57 4.845 0.134 -12.483 1.00 0.00 C ATOM 881 CD2 TYR A 57 2.771 -0.816 -13.176 1.00 0.00 C ATOM 882 CE1 TYR A 57 4.190 0.867 -11.512 1.00 0.00 C ATOM 883 CE2 TYR A 57 2.108 -0.085 -12.209 1.00 0.00 C ATOM 884 CZ TYR A 57 2.822 0.754 -11.379 1.00 0.00 C ATOM 885 OH TYR A 57 2.166 1.484 -10.414 1.00 0.00 O ATOM 0 H TYR A 57 4.772 -3.254 -11.972 1.00 0.00 H new ATOM 0 HA TYR A 57 5.842 -3.415 -14.677 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.604 -0.882 -14.880 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.154 -1.826 -15.153 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.916 0.226 -12.585 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.209 -1.473 -13.823 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.746 1.525 -10.861 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.037 -0.170 -12.104 1.00 0.00 H new ATOM 0 HH TYR A 57 1.779 0.876 -9.750 1.00 0.00 H new ATOM 895 N TRP A 58 7.918 -2.138 -13.886 1.00 0.00 N ATOM 896 CA TRP A 58 9.201 -1.743 -13.317 1.00 0.00 C ATOM 897 C TRP A 58 9.275 -0.231 -13.136 1.00 0.00 C ATOM 898 O TRP A 58 9.430 0.513 -14.104 1.00 0.00 O ATOM 899 CB TRP A 58 10.347 -2.217 -14.213 1.00 0.00 C ATOM 900 CG TRP A 58 10.806 -3.610 -13.903 1.00 0.00 C ATOM 901 CD1 TRP A 58 10.581 -4.732 -14.649 1.00 0.00 C ATOM 902 CD2 TRP A 58 11.566 -4.028 -12.765 1.00 0.00 C ATOM 903 NE1 TRP A 58 11.156 -5.822 -14.042 1.00 0.00 N ATOM 904 CE2 TRP A 58 11.767 -5.417 -12.885 1.00 0.00 C ATOM 905 CE3 TRP A 58 12.099 -3.364 -11.656 1.00 0.00 C ATOM 906 CZ2 TRP A 58 12.476 -6.151 -11.938 1.00 0.00 C ATOM 907 CZ3 TRP A 58 12.802 -4.094 -10.717 1.00 0.00 C ATOM 908 CH2 TRP A 58 12.987 -5.475 -10.863 1.00 0.00 C ATOM 0 H TRP A 58 7.917 -2.227 -14.902 1.00 0.00 H new ATOM 0 HA TRP A 58 9.295 -2.213 -12.338 1.00 0.00 H new ATOM 0 HB2 TRP A 58 10.028 -2.171 -15.254 1.00 0.00 H new ATOM 0 HB3 TRP A 58 11.189 -1.533 -14.107 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.032 -4.758 -15.579 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.132 -6.778 -14.396 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.964 -2.299 -11.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.618 -7.216 -12.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.216 -3.591 -9.855 1.00 0.00 H new ATOM 0 HH2 TRP A 58 13.544 -6.017 -10.113 1.00 0.00 H new ATOM 919 N ILE A 59 9.162 0.217 -11.890 1.00 0.00 N ATOM 920 CA ILE A 59 9.217 1.641 -11.582 1.00 0.00 C ATOM 921 C ILE A 59 10.552 2.015 -10.949 1.00 0.00 C ATOM 922 O ILE A 59 11.126 1.242 -10.182 1.00 0.00 O ATOM 923 CB ILE A 59 8.077 2.056 -10.634 1.00 0.00 C ATOM 924 CG1 ILE A 59 7.919 3.578 -10.627 1.00 0.00 C ATOM 925 CG2 ILE A 59 8.343 1.540 -9.228 1.00 0.00 C ATOM 926 CD1 ILE A 59 6.600 4.046 -10.053 1.00 0.00 C ATOM 0 H ILE A 59 9.032 -0.386 -11.077 1.00 0.00 H new ATOM 0 HA ILE A 59 9.104 2.173 -12.527 1.00 0.00 H new ATOM 0 HB ILE A 59 7.147 1.614 -10.993 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.733 4.017 -10.050 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.014 3.950 -11.647 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.528 1.842 -8.570 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.411 0.452 -9.246 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.281 1.956 -8.859 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.557 5.135 -10.080 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.780 3.636 -10.643 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.510 3.705 -9.022 1.00 0.00 H new ATOM 938 N ASP A 60 11.041 3.207 -11.273 1.00 0.00 N ATOM 939 CA ASP A 60 12.308 3.687 -10.734 1.00 0.00 C ATOM 940 C ASP A 60 12.204 3.923 -9.230 1.00 0.00 C ATOM 941 O ASP A 60 11.332 4.656 -8.766 1.00 0.00 O ATOM 942 CB ASP A 60 12.730 4.978 -11.437 1.00 0.00 C ATOM 943 CG ASP A 60 13.066 4.758 -12.899 1.00 0.00 C ATOM 944 OD1 ASP A 60 12.519 3.807 -13.496 1.00 0.00 O ATOM 945 OD2 ASP A 60 13.875 5.536 -13.446 1.00 0.00 O ATOM 0 H ASP A 60 10.579 3.859 -11.907 1.00 0.00 H new ATOM 0 HA ASP A 60 13.063 2.922 -10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.927 5.711 -11.358 1.00 0.00 H new ATOM 0 HB3 ASP A 60 13.597 5.399 -10.927 1.00 0.00 H new ATOM 950 N ALA A 61 13.099 3.294 -8.475 1.00 0.00 N ATOM 951 CA ALA A 61 13.109 3.436 -7.024 1.00 0.00 C ATOM 952 C ALA A 61 13.317 4.891 -6.616 1.00 0.00 C ATOM 953 O ALA A 61 12.921 5.303 -5.526 1.00 0.00 O ATOM 954 CB ALA A 61 14.189 2.555 -6.415 1.00 0.00 C ATOM 0 H ALA A 61 13.826 2.681 -8.844 1.00 0.00 H new ATOM 0 HA ALA A 61 12.138 3.115 -6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.185 2.671 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 61 13.995 1.513 -6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 61 15.162 2.849 -6.808 1.00 0.00 H new ATOM 960 N ASP A 62 13.942 5.664 -7.498 1.00 0.00 N ATOM 961 CA ASP A 62 14.203 7.073 -7.230 1.00 0.00 C ATOM 962 C ASP A 62 13.102 7.951 -7.815 1.00 0.00 C ATOM 963 O ASP A 62 13.277 9.158 -7.979 1.00 0.00 O ATOM 964 CB ASP A 62 15.559 7.482 -7.807 1.00 0.00 C ATOM 965 CG ASP A 62 16.719 6.842 -7.069 1.00 0.00 C ATOM 966 OD1 ASP A 62 16.627 6.696 -5.833 1.00 0.00 O ATOM 967 OD2 ASP A 62 17.720 6.489 -7.729 1.00 0.00 O ATOM 0 H ASP A 62 14.277 5.338 -8.405 1.00 0.00 H new ATOM 0 HA ASP A 62 14.219 7.214 -6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.602 7.201 -8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 62 15.658 8.567 -7.762 1.00 0.00 H new ATOM 972 N SER A 63 11.966 7.336 -8.130 1.00 0.00 N ATOM 973 CA SER A 63 10.837 8.060 -8.702 1.00 0.00 C ATOM 974 C SER A 63 10.030 8.757 -7.612 1.00 0.00 C ATOM 975 O SER A 63 9.756 8.194 -6.551 1.00 0.00 O ATOM 976 CB SER A 63 9.937 7.105 -9.489 1.00 0.00 C ATOM 977 OG SER A 63 9.091 7.816 -10.375 1.00 0.00 O ATOM 0 H SER A 63 11.803 6.338 -7.999 1.00 0.00 H new ATOM 0 HA SER A 63 11.229 8.818 -9.380 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.551 6.403 -10.053 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.333 6.517 -8.798 1.00 0.00 H new ATOM 0 HG SER A 63 8.168 7.504 -10.268 1.00 0.00 H new ATOM 983 N PRO A 64 9.638 10.012 -7.877 1.00 0.00 N ATOM 984 CA PRO A 64 8.855 10.813 -6.931 1.00 0.00 C ATOM 985 C PRO A 64 7.429 10.297 -6.775 1.00 0.00 C ATOM 986 O PRO A 64 6.734 10.644 -5.820 1.00 0.00 O ATOM 987 CB PRO A 64 8.853 12.207 -7.564 1.00 0.00 C ATOM 988 CG PRO A 64 9.051 11.962 -9.020 1.00 0.00 C ATOM 989 CD PRO A 64 9.929 10.745 -9.120 1.00 0.00 C ATOM 0 HA PRO A 64 9.278 10.786 -5.927 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.914 12.727 -7.374 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.650 12.829 -7.155 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.097 11.797 -9.521 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.519 12.821 -9.500 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.692 10.150 -10.002 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.983 11.014 -9.190 1.00 0.00 H new ATOM 997 N ASP A 65 6.999 9.467 -7.719 1.00 0.00 N ATOM 998 CA ASP A 65 5.655 8.901 -7.685 1.00 0.00 C ATOM 999 C ASP A 65 5.522 7.883 -6.558 1.00 0.00 C ATOM 1000 O ASP A 65 4.454 7.737 -5.962 1.00 0.00 O ATOM 1001 CB ASP A 65 5.322 8.244 -9.025 1.00 0.00 C ATOM 1002 CG ASP A 65 6.029 8.910 -10.189 1.00 0.00 C ATOM 1003 OD1 ASP A 65 5.978 10.155 -10.280 1.00 0.00 O ATOM 1004 OD2 ASP A 65 6.634 8.188 -11.008 1.00 0.00 O ATOM 0 H ASP A 65 7.561 9.171 -8.517 1.00 0.00 H new ATOM 0 HA ASP A 65 4.950 9.712 -7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 65 5.601 7.191 -8.989 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.245 8.283 -9.188 1.00 0.00 H new ATOM 1009 N ILE A 66 6.613 7.180 -6.270 1.00 0.00 N ATOM 1010 CA ILE A 66 6.618 6.175 -5.214 1.00 0.00 C ATOM 1011 C ILE A 66 6.471 6.821 -3.841 1.00 0.00 C ATOM 1012 O ILE A 66 7.200 7.753 -3.499 1.00 0.00 O ATOM 1013 CB ILE A 66 7.910 5.338 -5.240 1.00 0.00 C ATOM 1014 CG1 ILE A 66 7.943 4.449 -6.485 1.00 0.00 C ATOM 1015 CG2 ILE A 66 8.020 4.495 -3.978 1.00 0.00 C ATOM 1016 CD1 ILE A 66 9.212 3.635 -6.613 1.00 0.00 C ATOM 0 H ILE A 66 7.505 7.288 -6.753 1.00 0.00 H new ATOM 0 HA ILE A 66 5.767 5.519 -5.397 1.00 0.00 H new ATOM 0 HB ILE A 66 8.763 6.015 -5.277 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.088 3.773 -6.462 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.831 5.074 -7.371 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.938 3.909 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.037 5.147 -3.105 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.163 3.824 -3.913 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.166 3.029 -7.518 1.00 0.00 H new ATOM 0 HD12 ILE A 66 10.070 4.305 -6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.316 2.984 -5.745 1.00 0.00 H new ATOM 1028 N HIS A 67 5.524 6.318 -3.055 1.00 0.00 N ATOM 1029 CA HIS A 67 5.283 6.844 -1.716 1.00 0.00 C ATOM 1030 C HIS A 67 5.261 5.719 -0.686 1.00 0.00 C ATOM 1031 O HIS A 67 4.770 4.619 -0.942 1.00 0.00 O ATOM 1032 CB HIS A 67 3.961 7.612 -1.677 1.00 0.00 C ATOM 1033 CG HIS A 67 3.916 8.774 -2.621 1.00 0.00 C ATOM 1034 ND1 HIS A 67 4.765 9.856 -2.524 1.00 0.00 N ATOM 1035 CD2 HIS A 67 3.117 9.019 -3.686 1.00 0.00 C ATOM 1036 CE1 HIS A 67 4.490 10.717 -3.488 1.00 0.00 C ATOM 1037 NE2 HIS A 67 3.494 10.232 -4.207 1.00 0.00 N ATOM 0 H HIS A 67 4.911 5.547 -3.322 1.00 0.00 H new ATOM 0 HA HIS A 67 6.098 7.524 -1.468 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.146 6.929 -1.916 1.00 0.00 H new ATOM 0 HB3 HIS A 67 3.789 7.972 -0.663 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.330 8.379 -4.057 1.00 0.00 H new ATOM 0 HE1 HIS A 67 4.994 11.657 -3.659 1.00 0.00 H new ATOM 0 HE2 HIS A 67 3.073 10.685 -5.018 1.00 0.00 H new ATOM 1046 N PRO A 68 5.806 5.998 0.507 1.00 0.00 N ATOM 1047 CA PRO A 68 5.862 5.022 1.600 1.00 0.00 C ATOM 1048 C PRO A 68 4.486 4.730 2.187 1.00 0.00 C ATOM 1049 O PRO A 68 3.557 5.524 2.042 1.00 0.00 O ATOM 1050 CB PRO A 68 6.754 5.704 2.640 1.00 0.00 C ATOM 1051 CG PRO A 68 6.606 7.161 2.368 1.00 0.00 C ATOM 1052 CD PRO A 68 6.410 7.287 0.882 1.00 0.00 C ATOM 0 HA PRO A 68 6.238 4.056 1.264 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.440 5.457 3.654 1.00 0.00 H new ATOM 0 HB3 PRO A 68 7.792 5.386 2.541 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.756 7.575 2.910 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.489 7.710 2.693 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.758 8.124 0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.355 7.454 0.365 1.00 0.00 H new ATOM 1060 N VAL A 69 4.361 3.585 2.852 1.00 0.00 N ATOM 1061 CA VAL A 69 3.098 3.189 3.463 1.00 0.00 C ATOM 1062 C VAL A 69 2.649 4.208 4.504 1.00 0.00 C ATOM 1063 O VAL A 69 3.175 4.249 5.616 1.00 0.00 O ATOM 1064 CB VAL A 69 3.206 1.805 4.129 1.00 0.00 C ATOM 1065 CG1 VAL A 69 2.066 1.595 5.114 1.00 0.00 C ATOM 1066 CG2 VAL A 69 3.220 0.707 3.075 1.00 0.00 C ATOM 0 H VAL A 69 5.120 2.916 2.981 1.00 0.00 H new ATOM 0 HA VAL A 69 2.360 3.142 2.662 1.00 0.00 H new ATOM 0 HB VAL A 69 4.144 1.759 4.682 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.160 0.611 5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.107 2.363 5.887 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.114 1.660 4.588 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.297 -0.265 3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.299 0.749 2.493 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.074 0.849 2.413 1.00 0.00 H new ATOM 1076 N GLY A 70 1.670 5.030 4.136 1.00 0.00 N ATOM 1077 CA GLY A 70 1.165 6.038 5.050 1.00 0.00 C ATOM 1078 C GLY A 70 1.245 7.437 4.472 1.00 0.00 C ATOM 1079 O GLY A 70 0.974 8.418 5.164 1.00 0.00 O ATOM 0 H GLY A 70 1.218 5.016 3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.129 5.810 5.301 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.734 5.999 5.979 1.00 0.00 H new ATOM 1083 N TRP A 71 1.620 7.529 3.201 1.00 0.00 N ATOM 1084 CA TRP A 71 1.736 8.819 2.531 1.00 0.00 C ATOM 1085 C TRP A 71 0.371 9.481 2.382 1.00 0.00 C ATOM 1086 O TRP A 71 0.277 10.674 2.092 1.00 0.00 O ATOM 1087 CB TRP A 71 2.386 8.647 1.157 1.00 0.00 C ATOM 1088 CG TRP A 71 2.155 9.810 0.241 1.00 0.00 C ATOM 1089 CD1 TRP A 71 3.052 10.788 -0.084 1.00 0.00 C ATOM 1090 CD2 TRP A 71 0.949 10.117 -0.468 1.00 0.00 C ATOM 1091 NE1 TRP A 71 2.476 11.685 -0.951 1.00 0.00 N ATOM 1092 CE2 TRP A 71 1.187 11.295 -1.203 1.00 0.00 C ATOM 1093 CE3 TRP A 71 -0.307 9.511 -0.554 1.00 0.00 C ATOM 1094 CZ2 TRP A 71 0.213 11.877 -2.011 1.00 0.00 C ATOM 1095 CZ3 TRP A 71 -1.272 10.090 -1.356 1.00 0.00 C ATOM 1096 CH2 TRP A 71 -1.007 11.262 -2.076 1.00 0.00 C ATOM 0 H TRP A 71 1.849 6.727 2.614 1.00 0.00 H new ATOM 0 HA TRP A 71 2.366 9.463 3.145 1.00 0.00 H new ATOM 0 HB2 TRP A 71 3.459 8.503 1.286 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.997 7.743 0.689 1.00 0.00 H new ATOM 0 HD1 TRP A 71 4.065 10.847 0.286 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.934 12.508 -1.343 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.520 8.606 -0.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.414 12.781 -2.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -2.247 9.631 -1.429 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.782 11.689 -2.695 1.00 0.00 H new ATOM 1107 N CYS A 72 -0.685 8.700 2.582 1.00 0.00 N ATOM 1108 CA CYS A 72 -2.046 9.211 2.469 1.00 0.00 C ATOM 1109 C CYS A 72 -2.368 10.161 3.619 1.00 0.00 C ATOM 1110 O CYS A 72 -3.236 11.025 3.499 1.00 0.00 O ATOM 1111 CB CYS A 72 -3.048 8.055 2.452 1.00 0.00 C ATOM 1112 SG CYS A 72 -3.266 7.244 4.052 1.00 0.00 S ATOM 0 H CYS A 72 -0.625 7.711 2.823 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.123 9.763 1.532 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -4.013 8.430 2.112 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.719 7.314 1.723 1.00 0.00 H new ATOM 0 HG CYS A 72 -4.133 6.282 3.937 1.00 0.00 H new ATOM 1118 N SER A 73 -1.662 9.994 4.733 1.00 0.00 N ATOM 1119 CA SER A 73 -1.876 10.832 5.906 1.00 0.00 C ATOM 1120 C SER A 73 -0.999 12.079 5.850 1.00 0.00 C ATOM 1121 O SER A 73 -1.479 13.200 6.023 1.00 0.00 O ATOM 1122 CB SER A 73 -1.580 10.044 7.183 1.00 0.00 C ATOM 1123 OG SER A 73 -2.234 8.787 7.170 1.00 0.00 O ATOM 0 H SER A 73 -0.937 9.286 4.847 1.00 0.00 H new ATOM 0 HA SER A 73 -2.921 11.143 5.914 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.505 9.897 7.282 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.905 10.617 8.051 1.00 0.00 H new ATOM 0 HG SER A 73 -2.027 8.302 7.996 1.00 0.00 H new ATOM 1129 N LYS A 74 0.292 11.877 5.607 1.00 0.00 N ATOM 1130 CA LYS A 74 1.238 12.982 5.526 1.00 0.00 C ATOM 1131 C LYS A 74 0.618 14.178 4.809 1.00 0.00 C ATOM 1132 O LYS A 74 0.408 15.234 5.408 1.00 0.00 O ATOM 1133 CB LYS A 74 2.509 12.541 4.797 1.00 0.00 C ATOM 1134 CG LYS A 74 3.169 11.318 5.411 1.00 0.00 C ATOM 1135 CD LYS A 74 4.650 11.258 5.079 1.00 0.00 C ATOM 1136 CE LYS A 74 4.883 11.207 3.576 1.00 0.00 C ATOM 1137 NZ LYS A 74 4.995 12.570 2.987 1.00 0.00 N ATOM 0 H LYS A 74 0.707 10.956 5.463 1.00 0.00 H new ATOM 0 HA LYS A 74 1.495 13.282 6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 74 2.265 12.328 3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.222 13.366 4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.038 11.338 6.493 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.677 10.416 5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.153 12.130 5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.094 10.379 5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.794 10.645 3.368 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.062 10.671 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 5.672 12.553 2.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.064 12.875 2.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.327 13.236 3.714 1.00 0.00 H new ATOM 1151 N THR A 75 0.326 14.006 3.524 1.00 0.00 N ATOM 1152 CA THR A 75 -0.270 15.070 2.726 1.00 0.00 C ATOM 1153 C THR A 75 -1.761 15.205 3.017 1.00 0.00 C ATOM 1154 O THR A 75 -2.278 16.313 3.152 1.00 0.00 O ATOM 1155 CB THR A 75 -0.073 14.820 1.219 1.00 0.00 C ATOM 1156 OG1 THR A 75 -1.088 13.936 0.732 1.00 0.00 O ATOM 1157 CG2 THR A 75 1.300 14.225 0.945 1.00 0.00 C ATOM 0 H THR A 75 0.493 13.139 3.013 1.00 0.00 H new ATOM 0 HA THR A 75 0.237 15.995 3.002 1.00 0.00 H new ATOM 0 HB THR A 75 -0.147 15.776 0.701 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.681 14.423 0.123 1.00 0.00 H new ATOM 0 HG21 THR A 75 1.417 14.057 -0.126 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.071 14.914 1.290 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.398 13.277 1.474 1.00 0.00 H new ATOM 1165 N GLY A 76 -2.446 14.070 3.111 1.00 0.00 N ATOM 1166 CA GLY A 76 -3.871 14.085 3.385 1.00 0.00 C ATOM 1167 C GLY A 76 -4.696 13.653 2.189 1.00 0.00 C ATOM 1168 O GLY A 76 -5.838 14.084 2.025 1.00 0.00 O ATOM 0 H GLY A 76 -2.040 13.141 3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.083 13.425 4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.170 15.090 3.685 1.00 0.00 H new ATOM 1172 N HIS A 77 -4.117 12.800 1.350 1.00 0.00 N ATOM 1173 CA HIS A 77 -4.807 12.311 0.161 1.00 0.00 C ATOM 1174 C HIS A 77 -5.500 10.981 0.444 1.00 0.00 C ATOM 1175 O HIS A 77 -5.017 10.154 1.218 1.00 0.00 O ATOM 1176 CB HIS A 77 -3.821 12.149 -0.996 1.00 0.00 C ATOM 1177 CG HIS A 77 -3.657 13.389 -1.821 1.00 0.00 C ATOM 1178 ND1 HIS A 77 -3.357 14.620 -1.277 1.00 0.00 N ATOM 1179 CD2 HIS A 77 -3.750 13.582 -3.157 1.00 0.00 C ATOM 1180 CE1 HIS A 77 -3.275 15.517 -2.243 1.00 0.00 C ATOM 1181 NE2 HIS A 77 -3.509 14.913 -3.394 1.00 0.00 N ATOM 0 H HIS A 77 -3.173 12.433 1.471 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.564 13.044 -0.117 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.850 11.857 -0.597 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -4.159 11.336 -1.639 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -3.972 12.829 -3.899 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.054 16.566 -2.114 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -3.510 15.362 -4.310 1.00 0.00 H new ATOM 1190 N PRO A 78 -6.659 10.770 -0.197 1.00 0.00 N ATOM 1191 CA PRO A 78 -7.443 9.542 -0.030 1.00 0.00 C ATOM 1192 C PRO A 78 -6.763 8.330 -0.656 1.00 0.00 C ATOM 1193 O PRO A 78 -6.198 8.417 -1.748 1.00 0.00 O ATOM 1194 CB PRO A 78 -8.753 9.856 -0.758 1.00 0.00 C ATOM 1195 CG PRO A 78 -8.388 10.895 -1.762 1.00 0.00 C ATOM 1196 CD PRO A 78 -7.294 11.712 -1.134 1.00 0.00 C ATOM 0 HA PRO A 78 -7.575 9.282 1.020 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -9.162 8.967 -1.239 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.512 10.222 -0.067 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.049 10.437 -2.691 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -9.248 11.518 -2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.586 12.076 -1.879 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.691 12.586 -0.618 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.820 7.200 0.040 1.00 0.00 N ATOM 1205 CA LEU A 79 -6.210 5.969 -0.449 1.00 0.00 C ATOM 1206 C LEU A 79 -7.275 4.970 -0.889 1.00 0.00 C ATOM 1207 O LEU A 79 -8.314 4.833 -0.244 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.329 5.347 0.636 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.431 4.191 0.192 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.262 4.709 -0.630 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -3.933 3.409 1.399 1.00 0.00 C ATOM 0 H LEU A 79 -7.282 7.111 0.945 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.593 6.217 -1.312 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.698 6.130 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.974 4.992 1.440 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.018 3.519 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.634 3.873 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.639 5.224 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.674 5.403 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.296 2.590 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.362 4.070 2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.784 3.005 1.947 1.00 0.00 H new ATOM 1223 N GLN A 80 -7.008 4.273 -1.989 1.00 0.00 N ATOM 1224 CA GLN A 80 -7.944 3.286 -2.513 1.00 0.00 C ATOM 1225 C GLN A 80 -7.449 1.869 -2.241 1.00 0.00 C ATOM 1226 O GLN A 80 -6.318 1.507 -2.565 1.00 0.00 O ATOM 1227 CB GLN A 80 -8.143 3.489 -4.016 1.00 0.00 C ATOM 1228 CG GLN A 80 -8.724 4.848 -4.374 1.00 0.00 C ATOM 1229 CD GLN A 80 -10.178 4.987 -3.968 1.00 0.00 C ATOM 1230 OE1 GLN A 80 -10.920 4.005 -3.928 1.00 0.00 O ATOM 1231 NE2 GLN A 80 -10.593 6.210 -3.663 1.00 0.00 N ATOM 0 H GLN A 80 -6.152 4.374 -2.534 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.899 3.422 -2.005 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.184 3.368 -4.521 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.803 2.709 -4.395 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.139 5.628 -3.888 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.634 5.005 -5.449 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.944 6.995 -3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.561 6.365 -3.382 1.00 0.00 H new ATOM 1240 N PRO A 81 -8.316 1.046 -1.632 1.00 0.00 N ATOM 1241 CA PRO A 81 -7.989 -0.345 -1.303 1.00 0.00 C ATOM 1242 C PRO A 81 -7.877 -1.223 -2.544 1.00 0.00 C ATOM 1243 O PRO A 81 -8.466 -0.942 -3.588 1.00 0.00 O ATOM 1244 CB PRO A 81 -9.170 -0.791 -0.437 1.00 0.00 C ATOM 1245 CG PRO A 81 -10.298 0.088 -0.853 1.00 0.00 C ATOM 1246 CD PRO A 81 -9.681 1.410 -1.218 1.00 0.00 C ATOM 0 HA PRO A 81 -7.022 -0.430 -0.807 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.406 -1.842 -0.601 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.949 -0.676 0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.834 -0.340 -1.700 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -11.020 0.204 -0.045 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.228 1.900 -2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -9.675 2.098 -0.372 1.00 0.00 H new ATOM 1254 N PRO A 82 -7.103 -2.313 -2.431 1.00 0.00 N ATOM 1255 CA PRO A 82 -6.896 -3.255 -3.535 1.00 0.00 C ATOM 1256 C PRO A 82 -8.152 -4.060 -3.853 1.00 0.00 C ATOM 1257 O PRO A 82 -9.242 -3.742 -3.376 1.00 0.00 O ATOM 1258 CB PRO A 82 -5.789 -4.175 -3.014 1.00 0.00 C ATOM 1259 CG PRO A 82 -5.906 -4.104 -1.530 1.00 0.00 C ATOM 1260 CD PRO A 82 -6.370 -2.709 -1.217 1.00 0.00 C ATOM 0 HA PRO A 82 -6.642 -2.745 -4.464 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.920 -5.196 -3.373 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.807 -3.843 -3.350 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -6.615 -4.844 -1.159 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.949 -4.313 -1.053 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.011 -2.687 -0.336 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.531 -2.042 -1.018 1.00 0.00 H new